C60 + CPD C5H6 E=-194.1159158 G=-194.049579 C 0.000034000 -1.216860000 0.000348000 H 0.000058000 -1.880844000 -0.877641000 H 0.000046000 -1.880132000 0.878899000 C 1.181093000 -0.281739000 -0.000340000 H 2.213488000 -0.611153000 -0.000543000 C 0.734885000 0.991017000 0.000108000 H 1.346866000 1.886964000 0.000213000 C -1.181078000 -0.281804000 -0.000363000 H -2.213454000 -0.611275000 -0.000582000 C -0.734940000 0.990976000 0.000144000 H -1.346970000 1.886890000 0.000268000 S=0 1C60 E=-2286.490509 G=-2286.156523 C -1.694489000 -0.065437000 3.120423000 C -1.376577000 1.347887000 2.983997000 C -2.020003000 2.116872000 2.014326000 C -3.008692000 1.505346000 1.139162000 C -3.313307000 0.150557000 1.270168000 C -2.642663000 -0.651407000 2.281971000 C -0.463816000 -0.775031000 3.434392000 C 0.614787000 0.199554000 3.491647000 C 0.050880000 1.511392000 3.213074000 C 0.776238000 2.437702000 2.464024000 C -1.263075000 3.082250000 1.231955000 C -2.863440000 2.093891000 -0.183562000 C -3.029054000 1.302999000 -1.320653000 C -3.346919000 -0.110179000 -1.183867000 C -3.486141000 -0.674337000 0.084172000 C -2.922367000 -1.986327000 0.363050000 C -2.400791000 -1.972099000 1.721343000 C -1.220877000 -2.652314000 2.022533000 C -0.231889000 -2.041246000 2.897465000 C 1.881092000 -0.132035000 3.009931000 C 2.122919000 -1.452687000 2.449098000 C 1.088694000 -2.387043000 2.393927000 C 0.915882000 -3.212199000 1.208197000 C -0.511558000 -3.375803000 0.978361000 C -1.011301000 -3.389407000 -0.323747000 C -2.242168000 -2.679911000 -0.637874000 C -2.096797000 -2.091529000 -1.960577000 C -2.637641000 -0.833891000 -2.227943000 C -1.784382000 3.068249000 -0.126250000 C 0.463816000 0.775031000 -3.434392000 C 0.231890000 2.041246000 -2.897465000 C 1.220877000 2.652313000 -2.022533000 C 2.400791000 1.972099000 -1.721343000 C 2.642663000 0.651408000 -2.281971000 C 1.376577000 -1.347887000 -2.983997000 C -0.050880000 -1.511392000 -3.213074000 C -0.614787000 -0.199554000 -3.491647000 C -1.881092000 0.132035000 -3.009931000 C -2.122919000 1.452687000 -2.449098000 C -1.088694000 2.387043000 -2.393926000 C 0.511558000 3.375803000 -0.978361000 C 1.011301000 3.389407000 0.323747000 C 2.242168000 2.679911000 0.637874000 C 2.922368000 1.986327000 -0.363050000 C 3.486141000 0.674338000 -0.084172000 C 3.313307000 -0.150557000 -1.270168000 C 3.008692000 -1.505346000 -1.139162000 C 2.020003000 -2.116872000 -2.014326000 C -0.776238000 -2.437703000 -2.464024000 C -0.105152000 -3.239706000 -1.452313000 C 1.263075000 -3.082250000 -1.231955000 C 1.784381000 -3.068249000 0.126250000 C 2.863440000 -2.093891000 0.183562000 C 3.029054000 -1.302999000 1.320653000 C 3.346919000 0.110180000 1.183867000 C 2.637641000 0.833891000 2.227943000 C 2.096797000 2.091529000 1.960576000 C -0.915883000 3.212199000 -1.208197000 C 0.105152000 3.239706000 1.452313000 C 1.694489000 0.065437000 -3.120423000 pre-reactants E=-2480.616821 G=-2480.199972 C 1.327518000 1.741065000 2.305783000 C 1.138889000 2.537852000 1.177335000 C -0.207193000 2.859128000 0.727104000 C -1.310062000 2.367219000 1.424705000 C -1.113939000 1.534161000 2.601607000 C 0.176388000 1.228003000 3.033855000 C -2.460441000 1.855311000 0.697818000 C -2.460441000 1.855311000 -0.697818000 C -1.310062000 2.367219000 -1.424705000 C -0.207193000 2.859128000 -0.727104000 C -2.975671000 0.704600000 -1.424654000 C -2.144209000 0.506684000 -2.602237000 C -1.113939000 1.534161000 -2.601607000 C 0.176388000 1.228003000 -3.033855000 C 0.492688000 -0.119110000 -3.482116000 C -0.494662000 -1.104542000 -3.482431000 C -1.840670000 -0.785026000 -3.032824000 C 1.839048000 -0.438838000 -3.032588000 C 2.142757000 -1.730517000 -2.602302000 C 1.112718000 -2.758400000 -2.602592000 C -0.178128000 -2.451327000 -3.032592000 C 2.974472000 -1.927951000 -1.424921000 C 2.458823000 -3.077478000 -0.697411000 C 1.308109000 -3.590349000 -1.424987000 C 0.204880000 -4.082155000 -0.727444000 C 0.204880000 -4.082155000 0.727444000 C 1.308109000 -3.590349000 1.424987000 C 2.458823000 -3.077478000 0.697411000 C 2.974472000 -1.927951000 1.424921000 C 2.142757000 -1.730517000 2.602302000 C 1.112718000 -2.758400000 2.602592000 C -0.178128000 -2.451327000 3.032592000 C -0.494662000 -1.104542000 3.482431000 C 0.492688000 -0.119110000 3.482116000 C 1.839048000 -0.438838000 3.032588000 C 2.355305000 0.710603000 2.305411000 C -2.144209000 0.506684000 2.602237000 C -1.840670000 -0.785026000 3.032824000 C 3.153672000 0.521081000 1.177307000 C 3.469544000 -0.825954000 0.727562000 C -1.141600000 -3.762713000 1.177044000 C -1.329195000 -2.964728000 2.305506000 C -2.356966000 -1.934602000 2.305810000 C 3.469544000 -0.825954000 -0.727562000 C -1.329195000 -2.964728000 -2.305506000 C -1.141600000 -3.762713000 -1.177044000 C -1.973561000 -3.564774000 0.000000000 C -2.356966000 -1.934602000 -2.305810000 C -3.154149000 -1.744570000 -1.177045000 C -2.958295000 -2.577067000 0.000000000 C 1.327518000 1.741065000 -2.305783000 C 2.355305000 0.710603000 -2.305411000 C 3.153672000 0.521081000 -1.177307000 C -3.470716000 -0.397454000 -0.727501000 C 1.138889000 2.537852000 -1.177335000 C -3.154149000 -1.744570000 1.177045000 C -3.470716000 -0.397454000 0.727501000 C -2.975671000 0.704600000 1.424654000 C 1.972049000 2.340087000 0.000000000 C 2.957803000 1.353491000 0.000000000 C 0.289843000 6.103006000 -1.180223000 C 0.289843000 6.103006000 1.180223000 C -0.982479000 6.165227000 0.733932000 C -0.982479000 6.165227000 -0.733932000 C 1.223740000 6.065369000 0.000000000 H 0.618383000 6.080424000 -2.212353000 H -1.877170000 6.198883000 -1.346384000 H -1.877170000 6.198883000 1.346384000 H 0.618383000 6.080424000 2.212353000 H 1.851673000 5.162734000 0.000000000 H 1.920642000 6.917261000 0.000000000 TS[5,6] E=-2480.578872 G=-2480.155073 C -3.173766000 0.691008000 -0.391612000 C -3.013364000 -0.749703000 0.096545000 C -2.554292000 -1.011987000 1.403930000 C -2.184109000 0.043282000 2.296788000 C -2.153899000 1.379054000 1.811527000 C -2.534980000 1.687190000 0.492407000 C -2.483581000 0.657007000 -1.757553000 C -2.178275000 -0.706058000 -2.118212000 C -2.458928000 -1.558180000 -0.979005000 C -1.661398000 -2.671270000 -0.727570000 C -1.703075000 -2.165560000 1.680646000 C -1.078376000 -0.434025000 3.126766000 C -0.027064000 0.413610000 3.473301000 C -0.016210000 1.798497000 2.998377000 C -1.048464000 2.269681000 2.200981000 C -0.759681000 3.124726000 1.070068000 C -1.673719000 2.740901000 0.003634000 C -1.252577000 2.774045000 -1.320110000 C -1.651612000 1.670745000 -2.204110000 C -1.101735000 -1.008030000 -2.964098000 C -0.254441000 0.057990000 -3.451420000 C -0.521382000 1.372553000 -3.065564000 C 0.570732000 2.265735000 -2.714332000 C 0.119848000 3.124028000 -1.629273000 C 1.010329000 3.481349000 -0.610164000 C 0.556537000 3.477508000 0.770153000 C 1.640430000 2.983660000 1.602053000 C 1.358609000 2.161264000 2.695326000 C -0.792361000 -1.809258000 2.751296000 C 3.559888000 -0.658801000 1.763747000 C 2.744624000 -1.689953000 2.228368000 C 2.351031000 -2.766189000 1.330242000 C 2.787225000 -2.764233000 0.006054000 C 3.639519000 -1.688254000 -0.480118000 C 4.023046000 0.718500000 -0.088722000 C 3.570441000 1.569780000 1.002183000 C 3.281412000 0.717622000 2.146135000 C 2.195756000 1.005430000 2.972524000 C 1.340014000 -0.070331000 3.453581000 C 1.614298000 -1.393111000 3.095648000 C 0.976919000 -3.129087000 1.644270000 C 0.097102000 -3.475629000 0.618645000 C 0.552171000 -3.471126000 -0.763077000 C 1.869321000 -3.124880000 -1.063883000 C 2.155220000 -2.273744000 -2.209478000 C 3.247338000 -1.385455000 -1.845632000 C 3.252356000 -0.062987000 -2.297705000 C 3.647837000 1.009821000 -1.400399000 C 2.768644000 2.678307000 0.735848000 C 2.375960000 2.982429000 -0.634194000 C 2.809272000 2.167355000 -1.679551000 C 1.885810000 1.801012000 -2.741965000 C 2.162938000 0.424193000 -3.127438000 C 1.116408000 -0.427771000 -3.479667000 C 1.111374000 -1.805691000 -3.009012000 C -0.261881000 -2.164183000 -2.694276000 C -0.535076000 -2.973525000 -1.592359000 C 0.523424000 -2.279659000 2.735250000 C -1.271028000 -2.981044000 0.641041000 C 4.015679000 -0.656567000 0.381391000 C -4.883166000 1.003753000 -0.556423000 C -5.521118000 -1.176131000 -0.037789000 C -5.769013000 -0.378310000 1.082416000 C -5.471803000 0.942607000 0.772457000 H -5.483083000 1.766887000 1.475432000 H -6.046193000 -0.744203000 2.064522000 H -5.597980000 -2.255224000 -0.083205000 H -4.950980000 1.938242000 -1.111064000 C -5.397268000 -0.279864000 -1.227740000 H -6.400168000 -0.066308000 -1.628797000 H -4.784829000 -0.663685000 -2.043762000 TS[6,6] E=-2480.600470 G=-2480.176809 C -2.530688000 1.423949000 1.043383000 C -3.065775000 0.730513000 -0.153398000 C -3.065689000 -0.730412000 -0.153463000 C -2.530740000 -1.423958000 1.043290000 C -2.159500000 -0.736406000 2.187270000 C -2.159486000 0.736306000 2.187330000 C -1.777475000 2.586041000 0.629126000 C -1.715889000 2.586407000 -0.821948000 C -2.432345000 1.422252000 -1.300130000 C -1.958981000 0.734413000 -2.408333000 C -2.432336000 -1.422079000 -1.300211000 C -1.777543000 -2.586055000 0.628951000 C -0.686945000 -3.035130000 1.378286000 C -0.293588000 -2.313204000 2.570193000 C -1.014657000 -1.178757000 2.959011000 C -0.307319000 -0.000115000 3.436134000 C -1.014633000 1.178577000 2.959096000 C -0.293538000 2.313033000 2.570356000 C -0.686879000 3.035061000 1.378507000 C -0.564534000 3.033370000 -1.473892000 C 0.578957000 3.486926000 -0.693886000 C 0.519293000 3.487565000 0.699049000 C 1.662284000 3.037240000 1.477182000 C 1.158590000 2.309006000 2.633439000 C 1.834942000 1.177888000 3.091635000 C 1.085987000 -0.000132000 3.504283000 C 1.834913000 -1.178136000 3.091545000 C 1.158539000 -2.309212000 2.633275000 C -1.715939000 -2.586308000 -0.822124000 C 2.881520000 -2.603648000 -0.625374000 C 1.784659000 -3.036558000 -1.371122000 C 1.383378000 -2.308186000 -2.566322000 C 2.097600000 -1.177432000 -2.964621000 C 3.241349000 -0.728135000 -2.188694000 C 4.022627000 -0.697605000 0.152604000 C 3.523694000 -1.425494000 1.308919000 C 2.819002000 -2.603903000 0.828734000 C 1.662218000 -3.037365000 1.476961000 C 0.519218000 -3.487611000 0.698795000 C 0.578886000 -3.486886000 -0.694139000 C -0.068778000 -2.311321000 -2.628682000 C -0.752562000 -1.178304000 -3.080335000 C -0.006675000 0.000131000 -3.495070000 C 1.387472000 0.000113000 -3.441104000 C 2.097623000 1.177606000 -2.964532000 C 3.241362000 0.728231000 -2.188637000 C 3.625175000 1.425611000 -1.042707000 C 4.022649000 0.697519000 0.152654000 C 3.040558000 -0.728111000 2.416953000 C 3.040577000 0.727884000 2.417008000 C 3.523721000 1.425334000 1.309019000 C 2.819054000 2.603788000 0.828918000 C 2.881568000 2.603635000 -0.625189000 C 1.784721000 3.036619000 -1.370899000 C 1.383429000 2.308354000 -2.566160000 C -0.068730000 2.311526000 -2.628520000 C -0.752535000 1.178550000 -3.080243000 C -0.564595000 -3.033242000 -1.474106000 C -1.958996000 -0.734189000 -2.408396000 C 3.625145000 -1.425606000 -1.042807000 C -5.192055000 1.157156000 -0.297479000 C -5.192298000 -1.157047000 -0.297958000 C -5.599554000 -0.698779000 0.971359000 C -5.599462000 0.698413000 0.971648000 H -5.742193000 1.324216000 1.844959000 H -5.742342000 -1.324929000 1.844412000 H -5.213303000 2.194941000 -0.610079000 H -5.213422000 -2.194718000 -0.610932000 C -5.372393000 0.000257000 -1.252933000 H -6.414853000 0.000429000 -1.609979000 H -4.719497000 0.000362000 -2.127372000 Prod[5,6] E=-2480.611524 G=-2480.183054 C 3.267416000 0.820694000 0.217693000 C 3.267431000 -0.820742000 0.217676000 C 2.591213000 -1.438020000 -0.972743000 C 2.214679000 -0.722245000 -2.097221000 C 2.214687000 0.722308000 -2.097230000 C 2.591200000 1.438031000 -0.972725000 C 2.476447000 1.175301000 1.479888000 C 2.157048000 -0.000045000 2.241284000 C 2.476469000 -1.175377000 1.479858000 C 1.654772000 -2.283402000 1.574872000 C 1.720315000 -2.609134000 -0.865601000 C 1.111873000 -1.435329000 -2.776790000 C 0.085712000 -0.736491000 -3.387817000 C 0.085706000 0.736601000 -3.387804000 C 1.111865000 1.435420000 -2.776767000 C 0.816686000 2.619472000 -2.002213000 C 1.720308000 2.609142000 -0.865532000 C 1.274568000 3.044405000 0.369866000 C 1.654786000 2.283332000 1.574957000 C 1.069990000 -0.000049000 3.139261000 C 0.230820000 1.169750000 3.253371000 C 0.513796000 2.285790000 2.463816000 C -0.567983000 3.025521000 1.830750000 C -0.099526000 3.487513000 0.535071000 C -0.974132000 3.500196000 -0.555549000 C -0.504124000 3.052864000 -1.854309000 C -1.579919000 2.318477000 -2.492946000 C -1.286889000 1.180268000 -3.251049000 C 0.816699000 -2.619404000 -2.002286000 C -3.528323000 -1.178234000 -1.496638000 C -2.722776000 -2.311549000 -1.592719000 C -2.346835000 -3.042818000 -0.389384000 C -2.793961000 -2.607588000 0.856018000 C -3.639858000 -1.425326000 0.957458000 C -4.000330000 0.725897000 -0.195433000 C -3.528329000 1.178296000 -1.496598000 C -3.232580000 0.000040000 -2.298630000 C -2.132797000 0.000053000 -3.155357000 C -1.286881000 -1.180162000 -3.251090000 C -1.579909000 -2.318395000 -2.493012000 C -0.974147000 -3.500203000 -0.555665000 C -0.099543000 -3.487541000 0.534962000 C -0.567989000 -3.025571000 1.830640000 C -1.886252000 -2.602472000 1.993495000 C -2.179833000 -1.425717000 2.800942000 C -3.260500000 -0.700246000 2.156301000 C -3.260497000 0.700190000 2.156326000 C -3.639860000 1.425310000 0.957510000 C -2.722774000 2.311609000 -1.592639000 C -2.346831000 3.042833000 -0.389280000 C -2.793947000 2.607573000 0.856110000 C -1.886243000 2.602418000 1.993584000 C -2.179822000 1.425645000 2.801001000 C -1.143619000 0.728288000 3.421934000 C -1.143621000 -0.728380000 3.421910000 C 0.230814000 -1.169855000 3.253324000 C 0.513789000 -2.285867000 2.463725000 C -0.504128000 -3.052807000 -1.854398000 C 1.274570000 -3.044462000 0.369773000 C -4.000329000 -0.725875000 -0.195461000 C 4.822824000 1.127781000 0.318936000 C 4.822636000 -1.127773000 0.318905000 C 5.435113000 -0.669836000 -0.994399000 C 5.435159000 0.669915000 -0.994406000 H 5.704088000 1.327568000 -1.812744000 H 5.703772000 -1.327446000 -1.812855000 H 5.017599000 -2.157625000 0.621856000 H 5.017579000 2.157698000 0.621917000 C 5.296050000 -0.000016000 1.256478000 H 6.381796000 -0.000225000 1.380859000 H 4.813037000 0.000015000 2.236955000 Prod[6,6] E=-2480.643181 G=-2480.213789 C 2.571783000 -1.440316000 1.007688000 C 3.247641000 -0.804871000 -0.203426000 C 3.247642000 0.804867000 -0.203434000 C 2.571784000 1.440325000 1.007674000 C 2.202664000 0.741110000 2.135789000 C 2.202663000 -0.741089000 2.135796000 C 1.799148000 -2.583676000 0.601042000 C 1.719367000 -2.582632000 -0.849578000 C 2.440956000 -1.436244000 -1.338324000 C 1.947534000 -0.740933000 -2.419797000 C 2.440957000 1.436228000 -1.338338000 C 1.799150000 2.583681000 0.601015000 C 0.716877000 3.038011000 1.361682000 C 0.340099000 2.314938000 2.554019000 C 1.066801000 1.177452000 2.922530000 C 0.366732000 0.000017000 3.408472000 C 1.066800000 -1.177422000 2.922542000 C 0.340097000 -2.314912000 2.554043000 C 0.716875000 -3.037998000 1.361713000 C 0.559477000 -3.036539000 -1.485971000 C -0.574179000 -3.491190000 -0.693175000 C -0.497378000 -3.491433000 0.698385000 C -1.630129000 -3.040650000 1.490900000 C -1.110633000 -2.311692000 2.639472000 C -1.779651000 -1.178585000 3.104494000 C -1.024324000 0.000018000 3.504969000 C -1.779651000 1.178618000 3.104482000 C -1.110631000 2.311720000 2.639448000 C 1.719368000 2.582622000 -0.849604000 C -2.875014000 2.605610000 -0.596722000 C -1.787710000 3.040451000 -1.355846000 C -1.398888000 2.311348000 -2.554735000 C -2.115659000 1.178251000 -2.942779000 C -3.249230000 0.728681000 -2.155132000 C -4.003043000 0.697599000 0.194767000 C -3.490978000 1.426214000 1.345016000 C -2.794719000 2.605715000 0.856857000 C -1.630127000 3.040666000 1.490869000 C -0.497376000 3.491440000 0.698349000 C -0.574176000 3.491183000 -0.693211000 C 0.052239000 2.314724000 -2.630161000 C 0.733168000 1.177753000 -3.077904000 C -0.016121000 -0.000018000 -3.483247000 C -1.409430000 -0.000017000 -3.424613000 C -2.115660000 -1.178280000 -2.942767000 C -3.249230000 -0.728701000 -2.155125000 C -3.621166000 -1.426477000 -1.004841000 C -4.003043000 -0.697594000 0.194774000 C -2.992678000 0.728571000 2.446569000 C -2.992679000 -0.728544000 2.446576000 C -3.490979000 -1.426199000 1.345031000 C -2.794721000 -2.605704000 0.856883000 C -2.875016000 -2.605614000 -0.596695000 C -1.787712000 -3.040464000 -1.355815000 C -1.398890000 -2.311373000 -2.554711000 C 0.052237000 -2.314751000 -2.630138000 C 0.733168000 -1.177786000 -3.077893000 C 0.559479000 3.036523000 -1.486002000 C 1.947534000 0.740906000 -2.419803000 C -3.621166000 1.426469000 -1.004856000 C 4.802728000 -1.123818000 -0.311365000 C 4.802730000 1.123813000 -0.311380000 C 5.429827000 0.669843000 0.993438000 C 5.429816000 -0.669831000 0.993452000 H 5.702126000 -1.329420000 1.809335000 H 5.702146000 1.329444000 1.809308000 H 4.988602000 -2.155164000 -0.613991000 H 4.988603000 2.155155000 -0.614020000 C 5.255771000 -0.000009000 -1.261798000 H 6.336808000 -0.000010000 -1.423757000 H 4.734978000 -0.000013000 -2.224203000 S=1 3C60 E=-2286.428559 G=-2286.100624 C 0.604226000 2.679813000 2.225513000 C 1.850038000 2.650138000 1.458005000 C 1.851802000 3.021914000 0.119408000 C 0.607306000 3.442766000 -0.525449000 C -0.595192000 3.477763000 0.223938000 C -0.596847000 3.096748000 1.599042000 C 0.601782000 1.563156000 3.113620000 C 1.846416000 0.819092000 2.914911000 C 2.624589000 1.502134000 1.895920000 C 3.367213000 0.763533000 0.969255000 C 2.628114000 2.263177000 -0.846089000 C 0.607464000 2.943933000 -1.862169000 C -0.595211000 2.478200000 -2.449962000 C -1.841213000 2.520155000 -1.683187000 C -1.841535000 3.007197000 -0.381803000 C -2.619601000 2.336991000 0.645745000 C -1.843774000 2.381092000 1.873088000 C -1.846285000 1.293699000 2.737903000 C -0.601786000 0.862153000 3.375942000 C 1.844052000 -0.568933000 2.975394000 C 0.596861000 -1.288633000 3.237881000 C -0.604325000 -0.563364000 3.437889000 C -1.850266000 -1.044353000 2.839290000 C -2.624611000 0.109822000 2.416826000 C -3.367499000 0.059701000 1.233109000 C -3.364928000 1.197037000 0.328556000 C -3.364982000 0.688234000 -1.032685000 C -2.619469000 1.340744000 -2.019706000 C 1.851978000 2.202991000 -2.072545000 C -0.601782000 -1.563156000 -3.113620000 C 0.601786000 -0.862153000 -3.375942000 C 1.846285000 -1.293699000 -2.737903000 C 1.843774000 -2.381092000 -1.873088000 C 0.596847000 -3.096748000 -1.599042000 C -1.850038000 -2.650138000 -1.458005000 C -2.624589000 -1.502134000 -1.895920000 C -1.846416000 -0.819092000 -2.914911000 C -1.844052000 0.568933000 -2.975394000 C -0.596861000 1.288633000 -3.237881000 C 0.604325000 0.563364000 -3.437889000 C 2.624611000 -0.109822000 -2.416826000 C 3.367499000 -0.059701000 -1.233109000 C 3.364928000 -1.197037000 -0.328556000 C 2.619601000 -2.336991000 -0.645745000 C 1.841535000 -3.007197000 0.381803000 C 0.595192000 -3.477763000 -0.223938000 C -0.607306000 -3.442766000 0.525449000 C -1.851802000 -3.021914000 -0.119408000 C -3.367213000 -0.763533000 -0.969255000 C -3.368969000 -1.152045000 0.430914000 C -2.628114000 -2.263177000 0.846089000 C -1.851978000 -2.202991000 2.072545000 C -0.607464000 -2.943933000 1.862169000 C 0.595211000 -2.478200000 2.449962000 C 1.841213000 -2.520155000 1.683187000 C 2.619469000 -1.340744000 2.019706000 C 3.364982000 -0.688234000 1.032685000 C 1.850266000 1.044353000 -2.839290000 C 3.368969000 1.152045000 -0.430914000 C -0.604226000 -2.679813000 -2.225513000 pre-reactants E=-2480.557608 G=-2480.144360 C 1.606668000 1.577965000 -2.293453000 C 2.416314000 1.474092000 -1.169663000 C 2.871970000 0.158987000 -0.711396000 C 2.480823000 -1.005214000 -1.427940000 C 1.653363000 -0.897063000 -2.581267000 C 1.206618000 0.373617000 -3.024093000 C 2.092048000 -2.212498000 -0.694857000 C 2.091996000 -2.212434000 0.695231000 C 2.480717000 -1.005071000 1.428225000 C 2.871928000 0.159047000 0.711588000 C 1.011551000 -2.853766000 1.423135000 C 0.728989000 -2.032307000 2.588634000 C 1.653200000 -0.896814000 2.581490000 C 1.206433000 0.373915000 3.024172000 C -0.140006000 0.549044000 3.466981000 C -1.038123000 -0.544106000 3.467414000 C -0.580705000 -1.858670000 3.017888000 C -0.600316000 1.863229000 3.018314000 C -1.912148000 2.033043000 2.590166000 C -2.833211000 0.899430000 2.586199000 C -2.387311000 -0.367714000 3.025621000 C -2.195922000 2.851983000 1.422532000 C -3.277870000 2.210549000 0.695309000 C -3.668037000 1.007384000 1.427423000 C -4.052997000 -0.151073000 0.716546000 C -4.052943000 -0.151143000 -0.716748000 C -3.667941000 1.007242000 -1.427711000 C -3.277819000 2.210481000 -0.695689000 C -2.195834000 2.851846000 -1.422906000 C -1.911987000 2.032791000 -2.590445000 C -2.833047000 0.899179000 -2.586427000 C -2.387128000 -0.368012000 -3.025707000 C -1.037905000 -0.544446000 -3.467393000 C -0.139786000 0.548703000 -3.467001000 C -0.600125000 1.862944000 -3.018491000 C 0.488445000 2.505406000 -2.302412000 C 0.729152000 -2.032552000 -2.588358000 C -0.580513000 -1.858959000 -3.017719000 C 0.220340000 3.289809000 -1.175597000 C -1.150797000 3.465560000 -0.727035000 C -3.601552000 -1.463430000 -1.171564000 C -2.789179000 -1.569890000 -2.295776000 C -1.672613000 -2.498551000 -2.302124000 C -1.150849000 3.465633000 0.726668000 C -2.789321000 -1.569669000 2.295781000 C -3.601629000 -1.463315000 1.171515000 C -3.330919000 -2.280019000 0.000019000 C -1.672754000 -2.498326000 2.302291000 C -1.406610000 -3.282497000 1.175788000 C -2.253791000 -3.170272000 0.000098000 C 1.606527000 1.578180000 2.293436000 C 0.488305000 2.505631000 2.302236000 C 0.220266000 3.289922000 1.175339000 C -0.036841000 -3.464551000 0.726404000 C 2.416252000 1.474196000 1.169710000 C -1.406540000 -3.282611000 -1.175533000 C -0.036786000 -3.464624000 -0.726041000 C 1.011639000 -2.853901000 -1.422761000 C 2.149015000 2.294159000 -0.000019000 C 1.066914000 3.181932000 -0.000103000 C 5.904707000 0.259643000 1.177649000 C 5.904925000 0.261413000 -1.177196000 C 5.915289000 -1.017966000 -0.730244000 C 5.915182000 -1.019066000 0.728776000 C 5.935882000 1.196066000 0.000932000 H 5.899473000 0.585104000 2.210703000 H 5.904516000 -1.912725000 1.342658000 H 5.904719000 -1.910706000 -1.345466000 H 5.899831000 0.588418000 -2.209762000 H 5.098727000 1.906612000 0.001354000 H 6.851138000 1.808363000 0.001488000 TSbir[5,6] E=-2480.549386 G=-2480.133081 C -2.996102000 -0.235409000 -0.686940000 C -2.557205000 1.049277000 -1.290496000 C -1.769487000 1.081112000 -2.429024000 C -1.273993000 -0.169493000 -3.016931000 C -1.608079000 -1.408690000 -2.413149000 C -2.421077000 -1.451250000 -1.249943000 C -2.899164000 -0.053314000 0.750619000 C -2.547329000 1.332085000 1.028041000 C -2.355059000 2.016900000 -0.237997000 C -1.357018000 2.997789000 -0.364821000 C -0.735684000 2.087825000 -2.570064000 C 0.054239000 0.065042000 -3.499447000 C 1.041129000 -0.933164000 -3.383166000 C 0.703746000 -2.215150000 -2.765840000 C -0.584300000 -2.449892000 -2.298561000 C -0.785887000 -3.135014000 -1.035727000 C -1.920397000 -2.502712000 -0.379705000 C -1.909629000 -2.324587000 1.002161000 C -2.409586000 -1.067475000 1.588111000 C -1.752281000 1.651015000 2.129990000 C -1.257569000 0.598313000 2.996622000 C -1.586524000 -0.746255000 2.714920000 C -0.567623000 -1.783662000 2.840616000 C -0.779548000 -2.766404000 1.786924000 C 0.319643000 -3.369391000 1.158690000 C 0.313568000 -3.555061000 -0.282287000 C 1.660483000 -3.310960000 -0.771697000 C 1.850765000 -2.656848000 -1.990609000 C 0.399277000 1.458116000 -3.220805000 C 4.027062000 0.065197000 -0.749252000 C 3.543883000 1.080032000 -1.583893000 C 3.052888000 2.325894000 -1.000942000 C 3.063355000 2.500864000 0.382318000 C 3.560346000 1.441788000 1.247856000 C 3.698537000 -1.028631000 1.301145000 C 3.491679000 -2.005005000 0.241808000 C 3.688699000 -1.325530000 -1.028730000 C 2.885732000 -1.642563000 -2.121570000 C 2.379500000 -0.585303000 -2.988208000 C 2.710954000 0.755847000 -2.717541000 C 1.913417000 2.769794000 -1.782335000 C 0.823211000 3.373272000 -1.151945000 C 0.832051000 3.554351000 0.291995000 C 1.927934000 3.126447000 1.041512000 C 1.723539000 2.445957000 2.311369000 C 2.735469000 1.408492000 2.433809000 C 2.403250000 0.178811000 3.025028000 C 2.900657000 -1.063942000 2.444073000 C 2.498189000 -2.976900000 0.369752000 C 1.666326000 -3.013353000 1.562260000 C 1.866549000 -2.073220000 2.579021000 C 0.725011000 -1.447948000 3.229351000 C 1.065919000 -0.056337000 3.510442000 C 0.086315000 0.941018000 3.392198000 C 0.429179000 2.220346000 2.778202000 C -0.712585000 2.663484000 1.998682000 C -0.518701000 3.316395000 0.778855000 C 1.696776000 1.791889000 -2.840610000 C -0.531303000 3.030371000 -1.552915000 C 4.034269000 0.245473000 0.685344000 C -5.218853000 -0.384059000 -1.116488000 C -5.867097000 -0.250774000 1.134244000 C -5.950806000 0.997655000 0.571211000 C -5.620943000 0.918349000 -0.814590000 H -5.594004000 1.756866000 -1.499686000 H -6.201556000 1.912508000 1.095616000 H -6.044220000 -0.501317000 2.172751000 H -5.079089000 -0.769275000 -2.118910000 C -5.574405000 -1.262245000 0.061868000 H -6.493039000 -1.824221000 -0.178803000 H -4.819935000 -2.006510000 0.332168000 Proint[5,6] E=-2480.58283 G=-2480.16278 C -3.213891000 0.050059000 -0.658371000 C -2.891533000 -0.295520000 0.808838000 C -2.460340000 0.641093000 1.728728000 C -2.068316000 1.995296000 1.297065000 C -2.099298000 2.311337000 -0.066626000 C -2.545000000 1.359096000 -1.039229000 C -2.516635000 -1.120911000 -1.381613000 C -2.183473000 -2.153761000 -0.441183000 C -2.412603000 -1.645201000 0.904397000 C -1.577932000 -2.046967000 1.955852000 C -1.573840000 0.254212000 2.807378000 C -0.947664000 2.415253000 2.105375000 C 0.094674000 3.168522000 1.545434000 C 0.052834000 3.516561000 0.133744000 C -1.019328000 3.102209000 -0.651694000 C -0.791406000 2.598558000 -1.989794000 C -1.734829000 1.503996000 -2.209923000 C -1.341746000 0.390447000 -2.963963000 C -1.735600000 -0.955675000 -2.509825000 C -1.127075000 -3.042031000 -0.683335000 C -0.325828000 -2.882158000 -1.874953000 C -0.621255000 -1.846360000 -2.766169000 C 0.453745000 -1.069896000 -3.361707000 C 0.005237000 0.311231000 -3.478963000 C 0.915163000 1.356337000 -3.261836000 C 0.502018000 2.524127000 -2.498944000 C 1.626953000 2.954070000 -1.682177000 C 1.406880000 3.439894000 -0.392847000 C -0.639641000 1.343262000 3.042194000 C 3.649807000 1.103462000 1.388892000 C 2.872055000 0.945137000 2.536402000 C 2.482659000 -0.389191000 2.973231000 C 2.887626000 -1.508682000 2.242804000 C 3.694405000 -1.341973000 1.045035000 C 4.020531000 0.284165000 -0.784892000 C 3.577280000 1.665825000 -0.896032000 C 3.348403000 2.173245000 0.448869000 C 2.284987000 3.040140000 0.695536000 C 1.470495000 2.872065000 1.891864000 C 1.762686000 1.845939000 2.794658000 C 1.131833000 -0.313319000 3.499205000 C 0.235545000 -1.359877000 3.277897000 C 0.656034000 -2.526039000 2.515001000 C 1.954697000 -2.598701000 2.009143000 C 2.184172000 -3.105260000 0.664206000 C 3.258286000 -2.327252000 0.069240000 C 3.209358000 -1.993685000 -1.285810000 C 3.599461000 -0.659543000 -1.722373000 C 2.734768000 2.047187000 -1.939193000 C 2.290967000 1.060549000 -2.915336000 C 2.719779000 -0.265604000 -2.808615000 C 1.779950000 -1.352009000 -3.039038000 C 2.087731000 -2.423122000 -2.100779000 C 1.057135000 -3.172959000 -1.532492000 C 1.106048000 -3.518743000 -0.119356000 C -0.247054000 -3.436371000 0.406550000 C -0.467122000 -2.950640000 1.694839000 C 0.683188000 1.068165000 3.383797000 C -1.146648000 -1.071633000 2.930399000 C 4.065223000 -0.061864000 0.625910000 C -4.764228000 0.122920000 -0.955913000 C -6.367287000 -0.670157000 0.665262000 C -6.277651000 0.711309000 0.779680000 C -5.412786000 1.236549000 -0.171465000 H -5.162956000 2.282071000 -0.301441000 H -6.815247000 1.304515000 1.512944000 H -6.974709000 -1.321806000 1.282396000 H -4.844748000 0.279211000 -2.038642000 C -5.542027000 -1.148122000 -0.499926000 H -6.184501000 -1.515335000 -1.313610000 H -4.881284000 -1.982603000 -0.239952000 TSbir[6,6] E=-2480.549386 G=-2480.133081 C -2.961485000 -0.765198000 -0.128789000 C -2.464529000 -1.460021000 1.058487000 C -2.085217000 -0.761815000 2.203958000 C -2.094702000 0.716071000 2.199100000 C -2.496980000 1.410607000 1.048924000 C -2.888447000 0.693294000 -0.130443000 C -2.378271000 -1.464943000 -1.283004000 C -1.655275000 -2.628986000 -0.810854000 C -1.708140000 -2.625567000 0.642187000 C -0.606412000 -3.052495000 1.388588000 C -0.947148000 -1.191741000 2.972695000 C -0.972578000 1.174960000 2.970782000 C -0.263187000 2.323698000 2.570705000 C -0.676693000 3.049206000 1.379282000 C -1.772431000 2.610558000 0.636897000 C -1.718348000 2.606565000 -0.811754000 C -2.414846000 1.406429000 -1.276157000 C -1.925186000 0.710587000 -2.394923000 C -1.910810000 -0.765809000 -2.390711000 C -0.499395000 -3.059195000 -1.471662000 C -0.017025000 -2.332806000 -2.627146000 C -0.718039000 -1.199105000 -3.075094000 C 0.012184000 -0.008288000 -3.488531000 C -0.748272000 1.167141000 -3.077402000 C -0.068644000 2.317297000 -2.628642000 C -0.570370000 3.042396000 -1.469589000 C 0.572679000 3.508334000 -0.698962000 C 0.520974000 3.511477000 0.695001000 C -0.247458000 -0.000223000 3.438667000 C 3.545128000 1.467136000 1.284288000 C 3.073150000 0.766959000 2.396848000 C 3.089567000 -0.694359000 2.399303000 C 3.581064000 -1.387303000 1.287098000 C 4.064119000 -0.659266000 0.132414000 C 3.634491000 1.465372000 -1.059613000 C 2.879070000 2.640166000 -0.642540000 C 2.825240000 2.642735000 0.810827000 C 1.671826000 3.067676000 1.467117000 C 1.179995000 2.335075000 2.625656000 C 1.875450000 1.204833000 3.079451000 C 1.903425000 -1.157618000 3.082734000 C 1.232841000 -2.302633000 2.631146000 C 1.740766000 -3.024599000 1.471820000 C 2.887453000 -2.577754000 0.815916000 C 2.942227000 -2.580097000 -0.636845000 C 3.667807000 -1.389660000 -1.055780000 C 3.262691000 -0.698250000 -2.201042000 C 3.246341000 0.763315000 -2.204576000 C 1.777083000 3.062271000 -1.383188000 C 1.372522000 2.328287000 -2.574977000 C 2.103473000 1.198036000 -2.975040000 C 1.402670000 0.008534000 -3.440991000 C 2.129959000 -1.163857000 -2.971767000 C 1.430008000 -2.308571000 -2.571457000 C 1.848917000 -3.029159000 -1.377421000 C 0.652614000 -3.493428000 -0.693688000 C 0.600555000 -3.491638000 0.700719000 C 1.142448000 0.015380000 3.494365000 C -0.212087000 -2.325961000 2.578701000 C 4.045047000 0.747706000 0.129236000 C -5.251808000 -1.137822000 -0.159934000 C -6.240964000 0.831760000 0.687029000 C -6.205039000 0.903504000 -0.674071000 C -5.649040000 -0.310981000 -1.204830000 H -5.517134000 -0.527920000 -2.258488000 H -6.532328000 1.743182000 -1.276434000 H -6.581150000 1.604405000 1.365674000 H -5.034114000 -2.193387000 -0.252999000 C -5.701507000 -0.499133000 1.134380000 H -6.489103000 -1.111939000 1.600426000 H -4.906859000 -0.408853000 1.884432000 Proint[6,6] E=-2480.583691 G=-2480.163730 C -2.497962000 0.812055000 -1.602291000 C -3.209113000 -0.164974000 -0.643635000 C -2.896780000 0.204300000 0.795348000 C -2.412449000 1.498502000 1.173528000 C -2.009006000 2.433678000 0.212332000 C -2.041428000 2.056154000 -1.212514000 C -1.785355000 0.082607000 -2.612438000 C -1.786451000 -1.328177000 -2.251899000 C -2.501418000 -1.483220000 -1.016365000 C -2.043068000 -2.386287000 -0.076351000 C -2.410253000 -0.747457000 1.747680000 C -1.650948000 1.366601000 2.414072000 C -0.516641000 2.144583000 2.630484000 C -0.089295000 3.100906000 1.621368000 C -0.824339000 3.229224000 0.433997000 C -0.123696000 3.362633000 -0.836262000 C -0.877638000 2.640276000 -1.847534000 C -0.207494000 1.951277000 -2.862836000 C -0.672232000 0.640525000 -3.255945000 C -0.673310000 -2.126698000 -2.548149000 C 0.489953000 -1.537818000 -3.194832000 C 0.490356000 -0.187120000 -3.540846000 C 1.678951000 0.620988000 -3.319346000 C 1.246240000 1.944836000 -2.896837000 C 1.969209000 2.634647000 -1.922648000 C 1.269436000 3.363715000 -0.873039000 C 2.029093000 3.221335000 0.359719000 C 1.359667000 3.089783000 1.579599000 C -1.650557000 -0.035968000 2.773388000 C 2.947397000 -0.072668000 2.651758000 C 1.832903000 -0.633438000 3.273786000 C 1.358670000 -1.950699000 2.870086000 C 2.027881000 -2.652770000 1.863441000 C 3.189137000 -2.067073000 1.218075000 C 4.070370000 0.151665000 0.595198000 C 3.642499000 1.474440000 1.019030000 C 2.947649000 1.337284000 2.290564000 C 1.833652000 2.128623000 2.566879000 C 0.671639000 1.544098000 3.217749000 C 0.671493000 0.192684000 3.564222000 C -0.090257000 -1.939407000 2.911196000 C -0.825199000 -2.623264000 1.932024000 C -0.125018000 -3.351216000 0.882205000 C 1.268102000 -3.369898000 0.850714000 C 1.967891000 -3.235247000 -0.419829000 C 3.153149000 -2.428818000 -0.192771000 C 3.571428000 -1.511809000 -1.159460000 C 4.038231000 -0.194974000 -0.757699000 C 3.190378000 2.397423000 0.075179000 C 3.153837000 2.035863000 -1.335770000 C 3.571656000 0.766909000 -1.742790000 C 2.817793000 0.045187000 -2.754626000 C 2.817312000 -1.364666000 -2.393601000 C 1.678335000 -2.140603000 -2.612440000 C 1.245065000 -3.098322000 -1.605701000 C -0.208589000 -3.087169000 -1.573045000 C -0.879025000 -3.203675000 -0.351929000 C -0.516909000 -0.615277000 3.336714000 C -2.008609000 -2.031104000 1.354473000 C 3.641585000 -0.804356000 1.602488000 C -4.757997000 -0.217537000 -0.918663000 C -6.443350000 -0.414552000 0.804501000 C -6.360679000 0.917862000 0.423462000 C -5.426207000 1.093921000 -0.589359000 H -5.160038000 2.031753000 -1.061474000 H -6.949574000 1.719441000 0.858666000 H -4.862980000 -0.470345000 -1.982012000 H -7.092389000 -0.817094000 1.573416000 C -5.500822000 -1.252417000 -0.018036000 H -6.039897000 -1.988972000 -0.629849000 H -4.808291000 -1.830227000 0.606609000 TS[5,6] E=-2480.567578 G=-2480.144754 C -3.229507000 -0.010137000 -0.787328000 C -3.068109000 -0.379114000 0.721359000 C -2.551588000 0.578099000 1.641633000 C -2.163597000 1.927448000 1.223383000 C -2.167430000 2.266350000 -0.130156000 C -2.570747000 1.307639000 -1.131604000 C -2.476393000 -1.159291000 -1.479383000 C -2.158520000 -2.193050000 -0.537753000 C -2.450034000 -1.710648000 0.795287000 C -1.635837000 -2.097241000 1.859228000 C -1.698325000 0.200556000 2.727329000 C -1.082987000 2.377913000 2.074420000 C -0.040881000 3.156943000 1.551214000 C -0.048384000 3.515895000 0.144928000 C -1.093574000 3.082482000 -0.674808000 C -0.814964000 2.588071000 -2.007670000 C -1.733891000 1.479896000 -2.268879000 C -1.294088000 0.376951000 -3.025320000 C -1.671992000 -0.975424000 -2.587888000 C -1.083324000 -3.069950000 -0.762041000 C -0.250528000 -2.884856000 -1.928769000 C -0.536460000 -1.847684000 -2.820105000 C 0.539477000 -1.046788000 -3.377732000 C 0.066449000 0.327627000 -3.496596000 C 0.950868000 1.388107000 -3.240567000 C 0.492699000 2.542462000 -2.479264000 C 1.585570000 2.989504000 -1.628869000 C 1.319449000 3.463903000 -0.342993000 C -0.786140000 1.304635000 3.006724000 C 3.548622000 1.150131000 1.485033000 C 2.740409000 0.969429000 2.607121000 C 2.358164000 -0.375288000 3.021631000 C 2.808022000 -1.483254000 2.294752000 C 3.644977000 -1.291713000 1.125179000 C 3.998326000 0.354563000 -0.681365000 C 3.534207000 1.728746000 -0.795598000 C 3.257738000 2.223255000 0.545403000 C 2.174792000 3.072023000 0.767503000 C 1.329650000 2.882159000 1.938648000 C 1.610617000 1.851597000 2.839804000 C 0.995939000 -0.326251000 3.508113000 C 0.118361000 -1.386545000 3.246887000 C 0.585437000 -2.538558000 2.485502000 C 1.900608000 -2.585955000 2.022507000 C 2.182200000 -3.080841000 0.682388000 C 3.258563000 -2.278227000 0.127423000 C 3.246295000 -1.934878000 -1.225554000 C 3.624298000 -0.589925000 -1.640490000 C 2.714530000 2.103021000 -1.859195000 C 2.318620000 1.116317000 -2.856705000 C 2.771182000 -0.204031000 -2.747427000 C 1.860178000 -1.306225000 -3.016655000 C 2.159443000 -2.380071000 -2.078428000 C 1.127132000 -3.155090000 -1.548223000 C 1.138455000 -3.511921000 -0.137328000 C -0.232465000 -3.458238000 0.346108000 C -0.501647000 -2.978117000 1.628309000 C 0.527704000 1.048458000 3.388529000 C -1.252038000 -1.124688000 2.867586000 C 4.007329000 -0.001691000 0.725778000 C -4.790520000 -0.007633000 -1.145289000 C -5.264511000 -0.589988000 1.027024000 C -5.604228000 0.801098000 0.874762000 C -5.402781000 1.164806000 -0.422222000 H -5.493991000 2.160942000 -0.837660000 H -5.873838000 1.464726000 1.688906000 H -5.373535000 -1.150070000 1.948810000 H -4.925161000 -0.030755000 -2.228248000 C -5.360623000 -1.199451000 -0.350457000 H -6.409275000 -1.378106000 -0.626118000 H -4.805373000 -2.130667000 -0.478677000 Prod[5,6] E=-2480.591971 G=-2480.166309 C -3.251613000 0.212414000 0.809334000 C -3.251612000 0.212408000 -0.809333000 C -2.573178000 -0.975335000 -1.440110000 C -2.171260000 -2.153029000 -0.697832000 C -2.171260000 -2.153025000 0.697847000 C -2.573176000 -0.975325000 1.440118000 C -2.473213000 1.481229000 1.169926000 C -2.158579000 2.248318000 -0.000006000 C -2.473213000 1.481220000 -1.169933000 C -1.663302000 1.584460000 -2.286939000 C -1.729002000 -0.870052000 -2.575514000 C -1.097645000 -2.815697000 -1.417575000 C -0.055410000 -3.442300000 -0.725745000 C -0.055409000 -3.442295000 0.725767000 C -1.097645000 -2.815688000 1.417593000 C -0.809450000 -2.008760000 2.585274000 C -1.729000000 -0.870035000 2.575521000 C -1.283459000 0.384413000 3.042379000 C -1.663301000 1.584475000 2.286931000 C -1.084522000 3.161931000 -0.000010000 C -0.246477000 3.272723000 1.171178000 C -0.526677000 2.485704000 2.290158000 C 0.553049000 1.846153000 3.020449000 C 0.079596000 0.543680000 3.475931000 C 0.963249000 -0.549473000 3.480388000 C 0.499534000 -1.854370000 3.026388000 C 1.587374000 -2.499279000 2.306495000 C 1.313215000 -3.276083000 1.177660000 C -0.809451000 -2.008777000 -2.585260000 C 3.529957000 -1.484340000 -1.176302000 C 2.715806000 -1.584791000 -2.303377000 C 2.325981000 -0.381942000 -3.031516000 C 2.778892000 0.871271000 -2.599218000 C 3.623092000 0.972389000 -1.426571000 C 3.991083000 -0.180566000 0.724781000 C 3.529958000 -1.484332000 1.176310000 C 3.246147000 -2.293769000 0.000006000 C 2.163314000 -3.170988000 0.000010000 C 1.313214000 -3.276091000 -1.177640000 C 1.587373000 -2.499293000 -2.306479000 C 0.963247000 -0.549495000 -3.480385000 C 0.079593000 0.543658000 -3.475934000 C 0.553047000 1.846134000 -3.020461000 C 1.871214000 2.007975000 -2.598243000 C 2.164716000 2.819834000 -1.424138000 C 3.244259000 2.175809000 -0.698338000 C 3.244260000 2.175813000 0.698322000 C 3.623093000 0.972398000 1.426563000 C 2.715808000 -1.584776000 2.303386000 C 2.325983000 -0.381923000 3.031517000 C 2.778894000 0.871288000 2.599211000 C 1.871216000 2.007992000 2.598229000 C 2.164717000 2.819843000 1.424119000 C 1.128263000 3.442450000 0.727747000 C 1.128262000 3.442446000 -0.727770000 C -0.246478000 3.272715000 -1.171198000 C -0.526678000 2.485689000 -2.290174000 C 0.499532000 -1.854389000 -3.026377000 C -1.283461000 0.384393000 -3.042379000 C 3.991082000 -0.180571000 -0.724782000 C -4.808052000 0.304831000 1.128175000 C -4.808055000 0.304826000 -1.128176000 C -5.407509000 -1.015264000 -0.669757000 C -5.407500000 -1.015266000 0.669762000 H -5.668741000 -1.835345000 1.328695000 H -5.668759000 -1.835343000 -1.328687000 H -5.003462000 0.604823000 -2.158726000 H -5.003461000 0.604830000 2.158724000 C -5.290066000 1.239534000 -0.000002000 H -6.376454000 1.359483000 -0.000001000 H -4.813317000 2.222988000 -0.000006000 TS[6,6] E=-2480.553205 G=-2480.132880 C 2.553020000 0.401816000 1.715452000 C 3.204469000 -0.480070000 0.649178000 C 3.034982000 0.086687000 -0.758045000 C 2.566904000 1.466478000 -0.945670000 C 2.206854000 2.270481000 0.128425000 C 2.201018000 1.720230000 1.496336000 C 1.781771000 -0.405825000 2.608760000 C 1.706881000 -1.758332000 2.064010000 C 2.421276000 -1.795847000 0.840191000 C 1.918739000 -2.544347000 -0.233620000 C 2.434604000 -0.690806000 -1.807062000 C 1.813108000 1.534649000 -2.178382000 C 0.732663000 2.408658000 -2.306208000 C 0.355276000 3.246465000 -1.184030000 C 1.079431000 3.176329000 0.011614000 C 0.376007000 3.187617000 1.283622000 C 1.067445000 2.293967000 2.194545000 C 0.333930000 1.515928000 3.099566000 C 0.702106000 0.136065000 3.316154000 C 0.528129000 -2.520138000 2.255518000 C -0.590287000 -1.943960000 2.952122000 C -0.515750000 -0.642709000 3.483868000 C -1.640300000 0.254991000 3.366734000 C -1.117082000 1.595249000 3.119669000 C -1.779645000 2.452768000 2.243798000 C -1.018790000 3.269198000 1.308907000 C -1.766717000 3.333005000 0.065252000 C -1.095832000 3.324106000 -1.157151000 C 1.728578000 0.183692000 -2.706185000 C -2.862207000 0.431225000 -2.638156000 C -1.778042000 -0.119225000 -3.315890000 C -1.406710000 -1.507768000 -3.094100000 C -2.144943000 -2.298818000 -2.198009000 C -3.272712000 -1.720615000 -1.492546000 C -4.001938000 0.456893000 -0.586803000 C -3.479975000 1.794414000 -0.832395000 C -2.783288000 1.782971000 -2.100994000 C -1.610907000 2.535339000 -2.269072000 C -0.482979000 1.970686000 -2.972692000 C -0.554857000 0.660551000 -3.484453000 C 0.035081000 -1.581583000 -3.104255000 C 0.705067000 -2.439256000 -2.231962000 C -0.055701000 -3.263926000 -1.308429000 C -1.453896000 -3.192870000 -1.290478000 C -2.157209000 -3.176187000 -0.017892000 C -3.281497000 -2.263111000 -0.140231000 C -3.645648000 -1.452630000 0.935211000 C -4.013663000 -0.062290000 0.709841000 C -2.990359000 2.556260000 0.235282000 C -2.997377000 2.017386000 1.575865000 C -3.501526000 0.726121000 1.815186000 C -2.811644000 -0.163755000 2.721600000 C -2.895660000 -1.514632000 2.178451000 C -1.815356000 -2.387075000 2.295758000 C -1.439606000 -3.235980000 1.178211000 C 0.014034000 -3.311081000 1.153046000 C 0.687920000 -3.318317000 -0.065304000 C 0.562356000 -0.233681000 -3.361345000 C 1.926794000 -2.012715000 -1.567399000 C -3.628480000 -0.387037000 -1.706819000 C 4.777307000 -0.696079000 0.933157000 C 5.293934000 0.059640000 -1.179079000 C 5.643145000 1.098521000 -0.266935000 C 5.421894000 0.655374000 1.009538000 H 5.517870000 1.235810000 1.918889000 H 5.931399000 2.104039000 -0.551689000 H 4.901977000 -1.337720000 1.806826000 H 5.358194000 0.130772000 -2.258234000 C 5.314312000 -1.233914000 -0.408111000 H 6.346445000 -1.591774000 -0.286041000 H 4.713409000 -2.036210000 -0.840739000 Prod[6,6] E=-2480.585391 G=-2480.161313 C 2.547496000 -1.027572000 -1.439985000 C 3.247777000 0.167789000 -0.799537000 C 3.247764000 0.167282000 0.799508000 C 2.547606000 -1.028474000 1.439343000 C 2.152582000 -2.170624000 0.718149000 C 2.152510000 -2.170126000 -0.719478000 C 1.799237000 -0.618158000 -2.562405000 C 1.739163000 0.839406000 -2.568520000 C 2.472580000 1.322247000 -1.432434000 C 2.001893000 2.418396000 -0.738929000 C 2.472616000 1.321369000 1.433138000 C 1.799387000 -0.619747000 2.562009000 C 0.682857000 -1.371288000 3.024613000 C 0.283353000 -2.566115000 2.296161000 C 0.997344000 -2.951896000 1.166313000 C 0.294606000 -3.445686000 -0.001039000 C 0.997305000 -2.951121000 -1.168113000 C 0.283274000 -2.564662000 -2.297714000 C 0.682766000 -1.369431000 -3.025447000 C 0.592597000 1.494444000 -3.023067000 C -0.562058000 0.714914000 -3.466385000 C -0.497811000 -0.697930000 -3.461619000 C -1.656877000 -1.478017000 -3.023392000 C -1.167758000 -2.641113000 -2.306988000 C -1.849334000 -3.105882000 -1.176065000 C -1.105825000 -3.522631000 -0.001068000 C -1.849313000 -3.106609000 1.174205000 C -1.167674000 -2.642535000 2.305376000 C 1.739252000 0.837834000 2.568945000 C -2.864588000 0.634894000 2.591864000 C -1.751043000 1.384312000 3.035157000 C -1.345357000 2.580294000 2.303425000 C -2.050885000 2.977214000 1.171764000 C -3.204604000 2.201496000 0.718017000 C -4.004379000 -0.145094000 0.696226000 C -3.521704000 -1.307790000 1.422995000 C -2.806159000 -0.824240000 2.593170000 C -1.656761000 -1.479865000 3.022518000 C -0.497686000 -0.700068000 3.461138000 C -0.561973000 0.712817000 3.466846000 C 0.108152000 2.646741000 2.311220000 C 0.797947000 3.096484000 1.176201000 C 0.057652000 3.512564000 0.001069000 C -1.342674000 3.463371000 0.001071000 C -2.050928000 2.977929000 -1.169895000 C -3.204610000 2.201922000 -0.716574000 C -3.596211000 1.048973000 -1.428149000 C -4.004408000 -0.144673000 -0.696200000 C -3.050022000 -2.423203000 0.727498000 C -3.050044000 -2.422764000 -0.728900000 C -3.521759000 -1.306919000 -1.423692000 C -2.806255000 -0.822651000 -2.593590000 C -2.864653000 0.636471000 -2.591380000 C -1.751157000 1.386176000 -3.034269000 C -1.345469000 2.581698000 -2.301838000 C 0.108077000 2.648155000 -2.309618000 C 0.797896000 3.097172000 -1.174370000 C 0.592697000 1.492583000 3.023890000 C 2.001918000 2.417966000 0.740330000 C -3.596157000 1.048092000 1.428886000 C 4.806895000 0.235991000 -1.123755000 C 4.806976000 0.235423000 1.123796000 C 5.400691000 -1.084456000 0.669556000 C 5.400292000 -1.084271000 -0.670227000 H 5.651571000 -1.906447000 -1.330496000 H 5.652270000 -1.906842000 1.329438000 H 4.996836000 0.533415000 -2.155680000 H 4.996920000 0.532358000 2.155857000 C 5.283953000 1.174631000 0.000256000 H 6.368765000 1.309043000 0.000270000 H 4.787804000 2.149839000 0.000552000 S=2 5C60 E=-2286.365448 G=-2286.043413 C -0.424571000 3.478982000 0.591775000 C 1.030221000 3.355436000 0.577796000 C 1.694215000 3.077281000 -0.607479000 C 0.939432000 2.909752000 -1.845567000 C -0.471008000 3.033792000 -1.830519000 C -1.152669000 3.314646000 -0.605776000 C -0.897568000 2.890316000 1.808049000 C 0.247347000 2.409285000 2.562276000 C 1.434813000 2.696778000 1.816878000 C 2.504368000 1.776229000 1.803532000 C 2.801036000 2.126069000 -0.618440000 C 1.561587000 1.860315000 -2.594859000 C 0.772067000 0.950113000 -3.325664000 C -0.682899000 1.078847000 -3.320358000 C -1.291280000 2.091949000 -2.590229000 C -2.499527000 1.817146000 -1.826418000 C -2.411185000 2.558404000 -0.597698000 C -2.878236000 2.000548000 0.600586000 C -2.115260000 2.151680000 1.815053000 C 0.150251000 1.198824000 3.306615000 C -1.087616000 0.449877000 3.312419000 C -2.212131000 0.922814000 2.572558000 C -3.029765000 -0.000502000 1.838577000 C -3.443807000 0.657296000 0.601698000 C -3.523095000 -0.067135000 -0.581024000 C -3.046943000 0.515218000 -1.827106000 C -2.407538000 -0.531914000 -2.576926000 C -1.248727000 -0.264830000 -3.319034000 C 2.716023000 1.374407000 -1.833644000 C 0.897568000 -2.890316000 -1.808049000 C 2.115260000 -2.151680000 -1.815053000 C 2.878236000 -2.000548000 -0.600586000 C 2.411185000 -2.558404000 0.597698000 C 1.152669000 -3.314646000 0.605776000 C -1.030221000 -3.355436000 -0.577796000 C -1.434813000 -2.696778000 -1.816878000 C -0.247347000 -2.409285000 -2.562276000 C -0.150251000 -1.198824000 -3.306615000 C 1.087616000 -0.449877000 -3.312419000 C 2.212131000 -0.922814000 -2.572558000 C 3.443807000 -0.657296000 -0.601698000 C 3.523095000 0.067135000 0.581024000 C 3.046943000 -0.515218000 1.827106000 C 2.499527000 -1.817146000 1.826418000 C 1.291280000 -2.091949000 2.590229000 C 0.471008000 -3.033792000 1.830519000 C -0.939432000 -2.909752000 1.845567000 C -1.694215000 -3.077281000 0.607479000 C -2.504368000 -1.776229000 -1.803532000 C -3.194814000 -1.491636000 -0.584688000 C -2.801036000 -2.126069000 0.618440000 C -2.716023000 -1.374407000 1.833644000 C -1.561587000 -1.860315000 2.594859000 C -0.772067000 -0.950113000 3.325664000 C 0.682899000 -1.078847000 3.320358000 C 1.248727000 0.264830000 3.319034000 C 2.407538000 0.531914000 2.576926000 C 3.029765000 0.000502000 -1.838577000 C 3.194814000 1.491636000 0.584688000 C 0.424571000 -3.478982000 -0.591775000 Pre-reactants E=-2480.495019 G=-2480.087303 C 1.346936000 -2.095839000 2.142966000 C 2.140532000 -2.048127000 1.005690000 C 2.810746000 -0.805065000 0.634333000 C 2.653598000 0.342853000 1.439861000 C 1.847349000 0.293086000 2.617998000 C 1.189867000 -0.909158000 2.976381000 C 2.466063000 1.659663000 0.806781000 C 2.442880000 1.760042000 -0.593668000 C 2.581297000 0.579835000 -1.405408000 C 2.774801000 -0.699631000 -0.790871000 C 1.463132000 2.624527000 -1.240111000 C 1.022796000 1.961060000 -2.465536000 C 1.712366000 0.706077000 -2.554013000 C 1.043582000 -0.441382000 -3.072560000 C -0.323063000 -0.342493000 -3.509472000 C -1.009562000 0.880595000 -3.409497000 C -0.323492000 2.059293000 -2.874528000 C -0.996430000 -1.585137000 -3.147601000 C -2.312868000 -1.560444000 -2.700319000 C -3.023183000 -0.290456000 -2.597282000 C -2.371053000 0.907943000 -2.953823000 C -2.719027000 -2.402705000 -1.583425000 C -3.652908000 -1.649029000 -0.786857000 C -3.840674000 -0.341738000 -1.416265000 C -3.999824000 0.803715000 -0.616204000 C -3.956024000 0.695334000 0.818043000 C -3.769332000 -0.567072000 1.425990000 C -3.628518000 -1.749814000 0.612076000 C -2.648883000 -2.613100000 1.258025000 C -2.207158000 -1.950213000 2.484258000 C -2.894261000 -0.697245000 2.577348000 C -2.222303000 0.448244000 3.096449000 C -0.853001000 0.347225000 3.532055000 C -0.168954000 -0.876388000 3.430026000 C -0.861478000 -2.053339000 2.892147000 C 0.071099000 -2.805567000 2.111575000 C 1.134227000 1.564766000 2.719350000 C -0.179330000 1.589995000 3.170138000 C -0.350188000 -3.443060000 0.918259000 C -1.744963000 -3.338884000 0.493822000 C -3.268965000 1.862594000 1.343922000 C -2.409855000 1.735392000 2.475180000 C -1.158926000 2.452319000 2.519766000 C -1.773084000 -3.239364000 -0.958890000 C -2.533024000 2.094723000 -2.122013000 C -3.326656000 2.042891000 -0.984682000 C -2.885668000 2.696158000 0.246287000 C -1.258667000 2.806370000 -2.090907000 C -0.838282000 3.446134000 -0.898368000 C -1.653674000 3.383950000 0.272885000 C 1.232513000 -1.735129000 -2.450024000 C -0.018799000 -2.449281000 -2.497597000 C -0.409911000 -3.257944000 -1.419920000 C 0.557686000 3.346933000 -0.473647000 C 2.087986000 -1.865772000 -1.321167000 C -0.771199000 3.259679000 1.440675000 C 0.588660000 3.249724000 0.978099000 C 1.540913000 2.411141000 1.603175000 C 1.702731000 -2.702913000 -0.224536000 C 0.467674000 -3.387146000 -0.253211000 C 5.923752000 -0.681300000 -1.119574000 C 5.963729000 0.111961000 1.097797000 C 5.793291000 1.156916000 0.253738000 C 5.768791000 0.665640000 -1.121588000 C 6.088538000 -1.157077000 0.297800000 H 5.946725000 -1.332389000 -1.984849000 H 5.634193000 1.293225000 -1.995064000 H 5.675245000 2.196755000 0.535345000 H 6.017117000 0.153861000 2.178745000 H 5.333612000 -1.903401000 0.578980000 H 7.067031000 -1.637835000 0.450848000 TSbir[5,6] E=-2480.488566 G=-2480.078562 C -2.969823000 -0.347166000 -0.656526000 C -2.900145000 -0.161503000 0.785608000 C -2.561925000 1.074624000 1.348870000 C -2.204593000 2.209432000 0.473085000 C -2.203705000 2.035222000 -0.922027000 C -2.534508000 0.763699000 -1.495535000 C -2.383926000 -1.669078000 -0.935533000 C -2.082520000 -2.316189000 0.297967000 C -2.388292000 -1.383054000 1.379447000 C -1.581890000 -1.331369000 2.513559000 C -1.730437000 1.135967000 2.515253000 C -1.157920000 2.951902000 1.110158000 C -0.112239000 3.508751000 0.336888000 C -0.105944000 3.321573000 -1.104614000 C -1.125872000 2.609783000 -1.720878000 C -0.819345000 1.670051000 -2.795360000 C -1.685208000 0.536922000 -2.640324000 C -1.204752000 -0.770606000 -2.927881000 C -1.555749000 -1.878904000 -2.065276000 C -0.956430000 -3.174363000 0.403816000 C -0.108758000 -3.398353000 -0.762445000 C -0.411768000 -2.760745000 -1.972736000 C 0.657120000 -2.189940000 -2.778352000 C 0.157919000 -0.956057000 -3.371174000 C 1.011266000 0.146315000 -3.514216000 C 0.518642000 1.490068000 -3.217255000 C 1.570722000 2.223662000 -2.586884000 C 1.279543000 3.131783000 -1.538813000 C -0.844915000 2.284563000 2.367640000 C 3.529001000 1.676258000 0.965849000 C 2.691435000 1.890339000 2.100295000 C 2.345940000 0.791531000 2.955578000 C 2.832843000 -0.510394000 2.672262000 C 3.690589000 -0.729834000 1.509451000 C 4.047722000 0.167672000 -0.760549000 C 3.544289000 1.395205000 -1.356207000 C 3.232382000 2.325210000 -0.271631000 C 2.108415000 3.176699000 -0.378766000 C 1.249000000 3.406772000 0.790523000 C 1.546262000 2.775157000 2.002470000 C 0.975522000 0.973280000 3.399829000 C 0.130581000 -0.130275000 3.540638000 C 0.634365000 -1.471402000 3.239718000 C 1.974361000 -1.641520000 2.816459000 C 2.282080000 -2.582232000 1.737622000 C 3.356991000 -2.015431000 0.938050000 C 3.355316000 -2.187657000 -0.453406000 C 3.708286000 -1.069596000 -1.321682000 C 2.732904000 1.343164000 -2.482530000 C 2.382121000 0.059747000 -3.070605000 C 2.864976000 -1.127298000 -2.494307000 C 1.981101000 -2.274232000 -2.348972000 C 2.294596000 -2.934229000 -1.089814000 C 1.261923000 -3.486447000 -0.315383000 C 1.262469000 -3.300215000 1.128078000 C -0.122395000 -3.114326000 1.562211000 C -0.414754000 -2.209465000 2.612076000 C 0.474652000 2.206411000 2.806549000 C -1.243094000 -0.053759000 3.102335000 C 4.032461000 0.343107000 0.677349000 C -5.230380000 -0.519031000 -1.148087000 C -6.035108000 -0.190339000 1.034060000 C -6.020940000 1.010942000 0.379307000 C -5.590201000 0.813635000 -0.971871000 H -5.485462000 1.594851000 -1.714693000 H -6.277067000 1.971588000 0.810983000 H -6.303848000 -0.355936000 2.070086000 H -5.027914000 -0.986354000 -2.103413000 C -5.667114000 -1.288208000 0.074926000 H -6.559046000 -1.887244000 -0.175300000 H -4.925535000 -1.994278000 0.462639000 Proint[5,6] E=-2480.522011 G=-2480.106774 C -3.245429000 0.040916000 -0.644606000 C -2.917984000 -0.257375000 0.831897000 C -2.470197000 0.710967000 1.714196000 C -2.062334000 2.037584000 1.231323000 C -2.097101000 2.307405000 -0.137904000 C -2.561768000 1.328474000 -1.072206000 C -2.559685000 -1.161509000 -1.326641000 C -2.233125000 -2.160454000 -0.352517000 C -2.450980000 -1.604971000 0.970713000 C -1.602846000 -1.970884000 2.034697000 C -1.566972000 0.358494000 2.792060000 C -0.921010000 2.470687000 2.022106000 C 0.132577000 3.204109000 1.415916000 C 0.085428000 3.501872000 0.018950000 C -1.007410000 3.065165000 -0.760816000 C -0.793325000 2.521615000 -2.061122000 C -1.749963000 1.425283000 -2.245185000 C -1.370460000 0.284206000 -2.956341000 C -1.778287000 -1.037862000 -2.463389000 C -1.171864000 -3.062029000 -0.569884000 C -0.369912000 -2.934468000 -1.756827000 C -0.660542000 -1.935248000 -2.684811000 C 0.417166000 -1.183053000 -3.311987000 C -0.013575000 0.171737000 -3.468417000 C 0.909718000 1.234635000 -3.286737000 C 0.514998000 2.413218000 -2.581156000 C 1.652906000 2.868688000 -1.782289000 C 1.443717000 3.399211000 -0.515086000 C -0.623058000 1.451427000 2.979637000 C 3.702143000 1.138316000 1.332733000 C 2.923484000 1.020730000 2.487250000 C 2.519666000 -0.291428000 2.962266000 C 2.910979000 -1.434961000 2.273700000 C 3.724050000 -1.317447000 1.075014000 C 4.056172000 0.240488000 -0.811486000 C 3.620968000 1.618101000 -0.966983000 C 3.402889000 2.172682000 0.356615000 C 2.333828000 3.048859000 0.578937000 C 1.520597000 2.915562000 1.773226000 C 1.808984000 1.926411000 2.710263000 C 1.158010000 -0.182009000 3.485056000 C 0.247447000 -1.248385000 3.297900000 C 0.648565000 -2.423764000 2.594367000 C 1.965332000 -2.530012000 2.074632000 C 2.180255000 -3.074406000 0.773453000 C 3.263728000 -2.328525000 0.138580000 C 3.211228000 -2.043144000 -1.221452000 C 3.617798000 -0.736250000 -1.709444000 C 2.763370000 1.961069000 -2.019199000 C 2.299854000 0.941298000 -2.941541000 C 2.719273000 -0.378700000 -2.794361000 C 1.770334000 -1.470673000 -2.977044000 C 2.068030000 -2.486102000 -2.018705000 C 1.025057000 -3.216942000 -1.402481000 C 1.079169000 -3.512634000 -0.007325000 C -0.278807000 -3.404111000 0.525669000 C -0.488001000 -2.873798000 1.791868000 C 0.726969000 1.170869000 3.331548000 C -1.149191000 -0.962169000 2.953730000 C 4.107427000 -0.056365000 0.610491000 C -4.794964000 0.121266000 -0.942542000 C -6.417059000 -0.597592000 0.694421000 C -6.310514000 0.785719000 0.763757000 C -5.432041000 1.268222000 -0.197265000 H -5.168141000 2.305720000 -0.359940000 H -6.845894000 1.409488000 1.472923000 H -7.036881000 -1.220498000 1.328671000 H -4.874895000 0.241851000 -2.029964000 C -5.586559000 -1.125355000 -0.445010000 H -6.224627000 -1.519943000 -1.249289000 H -4.932471000 -1.952551000 -0.147674000 TSbir[6,6] E=-2480.488566 G=-2480.078562 C 2.958712000 0.207112000 -0.739071000 C 2.475495000 1.578246000 -0.928178000 C 2.098031000 2.374710000 0.154736000 C 2.105185000 1.805909000 1.516530000 C 2.506041000 0.463709000 1.713021000 C 2.877468000 -0.346234000 0.604148000 C 2.368787000 -0.589281000 -1.825671000 C 1.659829000 0.274485000 -2.707103000 C 1.713510000 1.627443000 -2.156762000 C 0.612517000 2.476227000 -2.270226000 C 0.960489000 3.248894000 0.047769000 C 0.986924000 2.336137000 2.230438000 C 0.268476000 1.514341000 3.133208000 C 0.677600000 0.128719000 3.335562000 C 1.768980000 -0.382416000 2.650963000 C 1.721037000 -1.728666000 2.089764000 C 2.402571000 -1.693501000 0.827501000 C 1.919038000 -2.468776000 -0.261750000 C 1.900284000 -1.909138000 -1.596088000 C 0.487094000 -0.174488000 -3.367403000 C 0.008524000 -1.534371000 -3.139071000 C 0.710834000 -2.381181000 -2.269354000 C -0.018345000 -3.232886000 -1.341249000 C 0.738298000 -3.287047000 -0.097319000 C 0.062027000 -3.315492000 1.129115000 C 0.558378000 -2.515794000 2.249451000 C -0.567649000 -1.993347000 2.958809000 C -0.524099000 -0.684697000 3.501520000 C 0.258917000 3.217456000 1.323827000 C -3.531822000 0.604828000 1.837851000 C -3.054394000 1.930612000 1.608281000 C -3.076487000 2.485158000 0.282797000 C -3.563547000 1.711673000 -0.799557000 C -4.051119000 0.353337000 -0.564604000 C -3.640462000 -1.562788000 0.939287000 C -2.880067000 -1.617494000 2.178134000 C -2.825172000 -0.264866000 2.729249000 C -1.654345000 0.180614000 3.377932000 C -1.165131000 1.547157000 3.148688000 C -1.863740000 2.399581000 2.282896000 C -1.891290000 3.306285000 0.112713000 C -1.222130000 3.330172000 -1.112605000 C -1.723963000 2.524242000 -2.226341000 C -2.884895000 1.734804000 -2.056096000 C -2.935461000 0.383384000 -2.617960000 C -3.672426000 -0.463409000 -1.691692000 C -3.271958000 -1.795514000 -1.494857000 C -3.256956000 -2.356514000 -0.147796000 C -1.778944000 -2.458781000 2.286335000 C -1.381031000 -3.288148000 1.159618000 C -2.113103000 -3.234184000 -0.038622000 C -1.411805000 -3.206649000 -1.312944000 C -2.139444000 -2.324390000 -2.214990000 C -1.432515000 -1.506314000 -3.112860000 C -1.846415000 -0.123595000 -3.311865000 C -0.643370000 0.690560000 -3.476195000 C -0.599991000 2.001635000 -2.936940000 C -1.132310000 3.251868000 1.355294000 C 0.223326000 3.308833000 -1.153331000 C -4.037373000 -0.184759000 0.731344000 C 5.232407000 0.292854000 -1.117774000 C 6.223627000 0.151694000 1.019866000 C 6.161724000 -1.097904000 0.475803000 C 5.608657000 -1.018757000 -0.847309000 H 5.458542000 -1.861839000 -1.511597000 H 6.470797000 -2.018127000 0.958202000 H 6.569270000 0.406308000 2.014297000 H 5.018436000 0.684003000 -2.103583000 C 5.708887000 1.157676000 0.027434000 H 6.516322000 1.822375000 -0.318253000 H 4.935140000 1.813442000 0.443135000 Proint[6,6] E=-2480.522793 G=-2480.107692 C 2.540983000 0.527548000 -1.705430000 C 3.245334000 0.538819000 -0.332583000 C 2.904066000 -0.728758000 0.431210000 C 2.400337000 -1.906328000 -0.207456000 C 2.006089000 -1.889531000 -1.546818000 C 2.068847000 -0.629571000 -2.300006000 C 1.849144000 1.764548000 -1.914989000 C 1.853044000 2.514116000 -0.672778000 C 2.548311000 1.749468000 0.320041000 C 2.078250000 1.734262000 1.622040000 C 2.403002000 -0.714074000 1.770680000 C 1.617976000 -2.670159000 0.770541000 C 0.459711000 -3.367740000 0.361949000 C 0.045911000 -3.330421000 -1.005358000 C 0.799520000 -2.591671000 -1.954524000 C 0.128748000 -1.803598000 -2.941656000 C 0.899021000 -0.586979000 -3.155442000 C 0.248502000 0.623309000 -3.392231000 C 0.730888000 1.827246000 -2.770457000 C 0.737188000 3.301912000 -0.324363000 C -0.426836000 3.332157000 -1.196580000 C -0.429701000 2.615109000 -2.385848000 C -1.631761000 1.893311000 -2.802458000 C -1.217291000 0.670375000 -3.410731000 C -1.960558000 -0.515907000 -3.208034000 C -1.293146000 -1.756902000 -2.977223000 C -2.067028000 -2.517089000 -2.003003000 C -1.415257000 -3.282567000 -1.038842000 C 1.620171000 -1.934538000 1.991674000 C -3.014955000 -1.786861000 1.929301000 C -1.894810000 -1.829973000 2.767943000 C -1.404717000 -0.614283000 3.389750000 C -2.054574000 0.597282000 3.166990000 C -3.223258000 0.644344000 2.304542000 C -4.113677000 -0.490703000 0.304156000 C -3.696781000 -1.735938000 -0.319148000 C -3.017863000 -2.536051000 0.686322000 C -1.900737000 -3.300591000 0.328337000 C -0.738706000 -3.339684000 1.200911000 C -0.736131000 -2.622262000 2.390841000 C 0.056387000 -0.669263000 3.411591000 C 0.811121000 0.514044000 3.200437000 C 0.142705000 1.756353000 2.966992000 C -1.279199000 1.812815000 2.947873000 C -1.948594000 2.597777000 1.960751000 C -3.156718000 1.883730000 1.549400000 C -3.564605000 1.915289000 0.220005000 C -4.056075000 0.705076000 -0.416433000 C -3.232268000 -1.729922000 -1.637045000 C -3.166016000 -0.483381000 -2.380457000 C -3.569908000 0.707363000 -1.785739000 C -2.793995000 1.928110000 -1.988898000 C -2.791229000 2.664787000 -0.766670000 C -1.625841000 3.365608000 -0.359556000 C -1.206768000 3.330275000 1.004392000 C 0.259161000 3.289451000 1.032396000 C 0.911498000 2.512350000 1.988904000 C 0.465231000 -1.896101000 2.803047000 C 2.014497000 0.479489000 2.384332000 C -3.692396000 -0.522689000 1.695062000 C 4.797941000 0.744147000 -0.481658000 C 6.461641000 -0.327180000 0.909201000 C 6.377910000 -1.024012000 -0.288660000 C 5.456097000 -0.438662000 -1.147459000 H 5.192643000 -0.785415000 -2.139296000 H 6.957923000 -1.910602000 -0.526014000 H 4.919278000 1.661314000 -1.072727000 H 7.103441000 -0.576154000 1.746237000 C 5.533357000 0.858230000 0.889357000 H 6.083807000 1.806597000 0.961075000 H 4.835772000 0.852396000 1.736118000 TS[5,6] E=-2480.507171 G=-2480.088876 C 3.259873000 0.015782000 -0.780397000 C 3.095517000 0.343571000 0.736848000 C 2.564889000 -0.636304000 1.625723000 C 2.162940000 -1.965491000 1.167642000 C 2.167367000 -2.265224000 -0.190378000 C 2.586015000 -1.285039000 -1.161201000 C 2.517277000 1.192907000 -1.438106000 C 2.210896000 2.199605000 -0.470532000 C 2.489701000 1.677644000 0.844032000 C 1.668882000 2.035806000 1.921419000 C 1.702362000 -0.286130000 2.713224000 C 1.064442000 -2.423008000 2.005671000 C 0.007238000 -3.184325000 1.443663000 C 0.016340000 -3.500004000 0.051837000 C 1.078687000 -3.051492000 -0.767003000 C 0.813549000 -2.526231000 -2.066919000 C 1.743492000 -1.418199000 -2.299053000 C 1.315832000 -0.288645000 -3.017653000 C 1.709336000 1.041551000 -2.554147000 C 1.128521000 3.089900000 -0.672996000 C 0.290928000 2.925901000 -1.832008000 C 0.568780000 1.918847000 -2.753534000 C -0.512401000 1.138968000 -3.336783000 C -0.058168000 -0.210907000 -3.482896000 C -0.954311000 -1.288650000 -3.254987000 C -0.514580000 -2.451134000 -2.546872000 C -1.616445000 -2.917292000 -1.709324000 C -1.359716000 -3.426514000 -0.440970000 C 0.779992000 -1.391755000 2.952981000 C -3.596847000 -1.177154000 1.443243000 C -2.782991000 -1.027697000 2.570148000 C -2.385852000 0.297373000 3.011837000 C -2.823123000 1.426703000 2.321090000 C -3.671575000 1.274870000 1.152571000 C -4.035444000 -0.316268000 -0.699421000 C -3.579884000 -1.688836000 -0.848969000 C -3.312477000 -2.221170000 0.474535000 C -2.221950000 -3.077928000 0.674622000 C -1.374428000 -2.913452000 1.840863000 C -1.647858000 -1.913267000 2.770144000 C -1.008824000 0.219780000 3.490800000 C -0.118803000 1.298629000 3.256833000 C -0.567067000 2.458246000 2.550060000 C -1.905747000 2.532578000 2.075340000 C -2.173630000 3.055029000 0.774038000 C -3.264726000 2.281205000 0.185757000 C -3.252001000 1.978041000 -1.170621000 C -3.647402000 0.654486000 -1.626605000 C -2.750273000 -2.030876000 -1.922557000 C -2.337874000 -1.017675000 -2.875143000 C -2.779378000 0.298518000 -2.734270000 C -1.860318000 1.405265000 -2.964158000 C -2.146238000 2.430632000 -2.011626000 C -1.098010000 3.190492000 -1.440645000 C -1.110988000 3.502997000 -0.047996000 C 0.268911000 3.429893000 0.440243000 C 0.528870000 2.916454000 1.705703000 C -0.559194000 -1.129131000 3.344332000 C 1.267003000 1.037239000 2.882821000 C -4.046608000 0.000145000 0.718356000 C 4.820853000 0.006160000 -1.133467000 C 5.296507000 0.517877000 1.056602000 C 5.619932000 -0.872089000 0.863950000 C 5.418208000 -1.194563000 -0.443764000 H 5.499606000 -2.178897000 -0.888449000 H 5.879397000 -1.562681000 1.658747000 H 5.408323000 1.048916000 1.995059000 H 4.960124000 0.060096000 -2.214758000 C 5.402407000 1.167201000 -0.301646000 H 6.453631000 1.342572000 -0.569433000 H 4.856440000 2.106929000 -0.402828000 Prod[5,6] E=-2480.531706 G=-2480.110393 C 3.280601000 -0.194202000 0.808840000 C 3.280604000 -0.194033000 -0.808867000 C 2.586909000 0.987422000 -1.436321000 C 2.171951000 2.158929000 -0.695219000 C 2.171948000 2.158787000 0.695668000 C 2.586898000 0.987124000 1.436535000 C 2.513075000 -1.471303000 1.165596000 C 2.211111000 -2.239756000 -0.000224000 C 2.513080000 -1.471059000 -1.165891000 C 1.698636000 -1.575661000 -2.286206000 C 1.736509000 0.877088000 -2.566020000 C 1.081766000 2.804798000 -1.419807000 C 0.023130000 3.425039000 -0.713241000 C 0.023127000 3.424885000 0.713941000 C 1.081757000 2.804501000 1.420383000 C 0.806792000 2.008069000 2.571426000 C 1.736494000 0.876557000 2.566201000 C 1.302590000 -0.383129000 3.025030000 C 1.698621000 -1.576132000 2.285890000 C 1.129146000 -3.161390000 -0.000326000 C 0.284591000 -3.257034000 1.161541000 C 0.556328000 -2.473949000 2.279644000 C -0.530274000 -1.840154000 3.011573000 C -0.075709000 -0.555391000 3.449520000 C -0.970716000 0.548587000 3.454331000 C -0.525424000 1.835660000 3.017306000 C -1.620655000 2.476030000 2.295924000 C -1.355482000 3.249992000 1.169853000 C 0.806804000 2.008606000 -2.571014000 C -3.576896000 1.467659000 -1.173888000 C -2.754622000 1.566424000 -2.300716000 C -2.349538000 0.369008000 -3.015112000 C -2.790592000 -0.884952000 -2.588519000 C -3.648479000 -0.990178000 -1.423847000 C -4.029281000 0.159968000 0.725558000 C -3.576899000 1.467416000 1.174181000 C -3.300972000 2.275737000 0.000227000 C -2.210130000 3.155591000 0.000323000 C -1.355473000 3.250237000 -1.169194000 C -1.620645000 2.476504000 -2.295416000 C -0.970697000 0.549305000 -3.454224000 C -0.075688000 -0.554676000 -3.449636000 C -0.530250000 -1.839529000 -3.011951000 C -1.874629000 -2.017469000 -2.581088000 C -2.154132000 -2.812661000 -1.427501000 C -3.251142000 -2.184759000 -0.695459000 C -3.251145000 -2.184906000 0.694999000 C -3.648486000 -0.990472000 1.423631000 C -2.754634000 1.565950000 2.301029000 C -2.349550000 0.368380000 3.015183000 C -2.790609000 -0.885487000 2.588333000 C -1.874640000 -2.018007000 2.580668000 C -2.154143000 -2.812962000 1.426915000 C -1.100576000 -3.432490000 0.713410000 C -1.100571000 -3.432336000 -0.714119000 C 0.284603000 -3.256790000 -1.162207000 C 0.556342000 -2.473477000 -2.280156000 C -0.525404000 1.836285000 -3.016939000 C 1.302603000 -0.382495000 -3.025105000 C -4.029274000 0.160120000 -0.725537000 C 4.837626000 -0.267814000 1.128299000 C 4.837642000 -0.267585000 -1.128334000 C 5.421465000 1.059890000 -0.669561000 C 5.421443000 1.059763000 0.669801000 H 5.673044000 1.882766000 1.328902000 H 5.673092000 1.883019000 -1.328494000 H 5.037063000 -0.565179000 -2.158809000 H 5.037046000 -0.565615000 2.158715000 C 5.331907000 -1.196189000 -0.000110000 H 6.419846000 -1.301234000 -0.000115000 H 4.867433000 -2.185073000 -0.000215000 TS[6,6] E=-2480.492480 G=-2480.077808 C -2.538694000 0.901749000 -1.528685000 C -3.211486000 -0.242219000 -0.761006000 C -3.040849000 -0.106460000 0.745946000 C -2.554518000 1.145384000 1.326528000 C -2.173916000 2.244044000 0.510218000 C -2.164870000 2.116220000 -0.917945000 C -1.780999000 0.385066000 -2.595417000 C -1.719484000 -1.068285000 -2.468480000 C -2.445825000 -1.457524000 -1.319248000 C -1.961811000 -2.500197000 -0.509015000 C -2.460032000 -1.169890000 1.526457000 C -1.815212000 0.850690000 2.510410000 C -0.709102000 1.637855000 2.891778000 C -0.311407000 2.769653000 2.053715000 C -1.025552000 3.064982000 0.895281000 C -0.318167000 3.455766000 -0.309243000 C -1.009714000 2.858058000 -1.428826000 C -0.283980000 2.360319000 -2.512085000 C -0.667481000 1.098380000 -3.120203000 C -0.545613000 -1.755432000 -2.865284000 C 0.590164000 -1.014766000 -3.375448000 C 0.524408000 0.393644000 -3.503065000 C 1.665836000 1.205521000 -3.128124000 C 1.164035000 2.432234000 -2.513635000 C 1.836830000 3.002020000 -1.431643000 C 1.086608000 3.527891000 -0.306259000 C 1.821602000 3.212455000 0.898677000 C 1.135952000 2.844443000 2.061526000 C -1.747303000 -0.597860000 2.633805000 C 2.861854000 -0.379043000 2.644385000 C 1.743704000 -1.092971000 3.129501000 C 1.362343000 -2.361069000 2.516400000 C 2.093132000 -2.869011000 1.434102000 C 3.235810000 -2.116672000 0.921135000 C 4.008974000 0.229370000 0.699098000 C 3.508447000 1.444827000 1.319662000 C 2.798257000 1.065491000 2.522269000 C 1.624787000 1.748269000 2.883865000 C 0.481415000 1.018643000 3.400924000 C 0.544658000 -0.391385000 3.520141000 C -0.077867000 -2.427901000 2.508681000 C -0.755240000 -2.997478000 1.429716000 C -0.003102000 -3.530098000 0.310062000 C 1.402931000 -3.464649000 0.314932000 C 2.109082000 -3.074096000 -0.892774000 C 3.250008000 -2.245715000 -0.506661000 C 3.629894000 -1.151800000 -1.313853000 C 4.022024000 0.107193000 -0.691280000 C 3.035188000 2.494918000 0.517240000 C 3.043955000 2.367949000 -0.917326000 C 3.530336000 1.189462000 -1.518667000 C 2.831939000 0.603434000 -2.642177000 C 2.899457000 -0.845443000 -2.512484000 C 1.789428000 -1.634708000 -2.878110000 C 1.398397000 -2.774028000 -2.050789000 C -0.053820000 -2.846995000 -2.053654000 C -0.737787000 -3.209953000 -0.891525000 C -0.587314000 -1.199453000 3.137034000 C -1.970681000 -2.378535000 0.916833000 C 3.608694000 -0.895418000 1.527039000 C -4.784404000 -0.345854000 -1.104202000 C -5.317573000 -0.223976000 1.132006000 C -5.638794000 1.039863000 0.555378000 C -5.411522000 0.979890000 -0.793403000 H -5.489088000 1.799031000 -1.497767000 H -5.916982000 1.925033000 1.116220000 H -4.905299000 -0.705782000 -2.127197000 H -5.394735000 -0.465311000 2.185376000 C -5.342781000 -1.239785000 0.019840000 H -6.377412000 -1.533870000 -0.208295000 H -4.755987000 -2.141188000 0.207241000 Prod[6,6] E=-2480.524155 G=-2480.104933 C -2.579984000 1.006504000 -1.436387000 C -3.250130000 -0.206287000 -0.796778000 C -3.250195000 -0.206364000 0.796577000 C -2.580091000 1.006359000 1.436349000 C -2.209679000 2.160291000 0.718602000 C -2.209617000 2.160350000 -0.718495000 C -1.817213000 0.602031000 -2.549858000 C -1.735360000 -0.855070000 -2.548191000 C -2.446161000 -1.341992000 -1.432291000 C -1.947093000 -2.448701000 -0.718565000 C -2.446272000 -1.342128000 1.432038000 C -1.817422000 0.601800000 2.549887000 C -0.712803000 1.368817000 3.008422000 C -0.340427000 2.574029000 2.292013000 C -1.065630000 2.959818000 1.164709000 C -0.374139000 3.465204000 0.000146000 C -1.065512000 2.959939000 -1.164452000 C -0.340232000 2.574252000 -2.291795000 C -0.712499000 1.369127000 -3.008229000 C -0.551467000 -1.493414000 -3.007145000 C 0.567705000 -0.708069000 -3.448223000 C 0.487869000 0.714114000 -3.448665000 C 1.617642000 1.498925000 -3.013085000 C 1.109696000 2.660530000 -2.294660000 C 1.779024000 3.135011000 -1.166805000 C 1.032880000 3.555795000 0.000217000 C 1.778906000 3.134896000 1.167185000 C 1.109504000 2.660291000 2.295001000 C -1.735572000 -0.855340000 2.548088000 C 2.882793000 -0.594328000 2.583577000 C 1.778666000 -1.361724000 3.013103000 C 1.404888000 -2.572628000 2.294584000 C 2.123723000 -2.968433000 1.166523000 C 3.262325000 -2.167333000 0.715666000 C 4.008560000 0.198811000 0.695981000 C 3.495772000 1.349404000 1.425755000 C 2.800905000 0.860391000 2.583609000 C 1.617339000 1.498645000 3.013243000 C 0.487516000 0.713780000 3.448761000 C 0.567351000 -0.708416000 3.448182000 C -0.045494000 -2.649948000 2.291936000 C -0.722195000 -3.116060000 1.164913000 C 0.021583000 -3.539913000 -0.000181000 C 1.429923000 -3.470970000 -0.000111000 C 2.123840000 -2.968316000 -1.166713000 C 3.262404000 -2.167288000 -0.715710000 C 3.628954000 -1.001873000 -1.426010000 C 4.008605000 0.198878000 -0.695746000 C 2.999660000 2.466120000 0.715661000 C 2.999736000 2.466218000 -0.715270000 C 3.495878000 1.349547000 -1.425435000 C 2.801109000 0.860681000 -2.583427000 C 2.883001000 -0.594110000 -2.583530000 C 1.778965000 -1.361408000 -3.013213000 C 1.405079000 -2.572415000 -2.294730000 C -0.045301000 -2.649721000 -2.292206000 C -0.722076000 -3.115952000 -1.165221000 C -0.551770000 -1.493696000 3.007069000 C -1.947155000 -2.448783000 0.718245000 C 3.628849000 -1.002010000 1.426111000 C -4.806849000 -0.317308000 -1.123782000 C -4.806939000 -0.317411000 1.123444000 C -5.436754000 0.986050000 0.669615000 C -5.436699000 0.986112000 -0.669887000 H -5.710525000 1.800616000 -1.330616000 H -5.710633000 1.800496000 1.330395000 H -4.986470000 -0.618722000 -2.156266000 H -4.986641000 -0.618917000 2.155887000 C -5.259631000 -1.268861000 -0.000230000 H -6.340619000 -1.430939000 -0.000280000 H -4.738833000 -2.231227000 -0.000251000 S=3 7C60 E=-2286.301217 G=-2285.984095 C -0.441703000 3.490128000 0.614251000 C 1.012267000 3.359380000 0.601621000 C 1.686617000 3.071041000 -0.601039000 C 0.935581000 2.888329000 -1.811942000 C -0.484100000 3.013372000 -1.802213000 C -1.176735000 3.326830000 -0.580567000 C -0.926085000 2.917309000 1.838865000 C 0.225110000 2.428690000 2.592060000 C 1.410285000 2.702161000 1.820467000 C 2.490369000 1.766928000 1.810634000 C 2.790156000 2.114813000 -0.610709000 C 1.562099000 1.831483000 -2.572884000 C 0.766038000 0.919489000 -3.313125000 C -0.673482000 1.044860000 -3.309409000 C -1.295921000 2.083142000 -2.557381000 C -2.494406000 1.817353000 -1.806707000 C -2.426118000 2.583702000 -0.573416000 C -2.899151000 2.025877000 0.621402000 C -2.137767000 2.191739000 1.848437000 C 0.131779000 1.232704000 3.330750000 C -1.096200000 0.486958000 3.325232000 C -2.221338000 0.960925000 2.589761000 C -3.032097000 0.030941000 1.833490000 C -3.454293000 0.682612000 0.621831000 C -3.523672000 -0.057897000 -0.578858000 C -3.039954000 0.514396000 -1.803961000 C -2.398133000 -0.547884000 -2.572831000 C -1.235695000 -0.277111000 -3.321143000 C 2.704598000 1.356033000 -1.827404000 C 0.926085000 -2.917309000 -1.838865000 C 2.137767000 -2.191739000 -1.848437000 C 2.899151000 -2.025877000 -0.621402000 C 2.426118000 -2.583702000 0.573416000 C 1.176735000 -3.326830000 0.580567000 C -1.012267000 -3.359380000 -0.601621000 C -1.410285000 -2.702161000 -1.820467000 C -0.225110000 -2.428690000 -2.592060000 C -0.131779000 -1.232704000 -3.330750000 C 1.096200000 -0.486958000 -3.325232000 C 2.221338000 -0.960925000 -2.589761000 C 3.454293000 -0.682612000 -0.621831000 C 3.523672000 0.057897000 0.578858000 C 3.039954000 -0.514396000 1.803961000 C 2.494406000 -1.817353000 1.806707000 C 1.295921000 -2.083142000 2.557381000 C 0.484100000 -3.013372000 1.802213000 C -0.935581000 -2.888329000 1.811942000 C -1.686617000 -3.071041000 0.601039000 C -2.490369000 -1.766928000 -1.810634000 C -3.185233000 -1.478212000 -0.582456000 C -2.790156000 -2.114813000 0.610709000 C -2.704598000 -1.356033000 1.827404000 C -1.562099000 -1.831483000 2.572884000 C -0.766038000 -0.919489000 3.313125000 C 0.673482000 -1.044860000 3.309409000 C 1.235695000 0.277111000 3.321143000 C 2.398133000 0.547884000 2.572831000 C 3.032097000 -0.030941000 -1.833490000 C 3.185233000 1.478212000 0.582456000 C 0.441703000 -3.490128000 -0.614251000 Pre-reactants E=-2480.430826 G=-2480.025378 C 1.675617000 1.563352000 2.313977000 C 1.605331000 2.390237000 1.173757000 C 0.321646000 2.869031000 0.720922000 C -0.866807000 2.521372000 1.434449000 C -0.792853000 1.695371000 2.601605000 C 0.458344000 1.210462000 3.037715000 C -2.069689000 2.170961000 0.708905000 C -2.069689000 2.170961000 -0.708905000 C -0.866807000 2.521372000 -1.434449000 C 0.321646000 2.869031000 -0.720922000 C -2.739676000 1.116103000 -1.433484000 C -1.958555000 0.815232000 -2.601426000 C -0.792853000 1.695371000 -2.601605000 C 0.458344000 1.210462000 -3.037715000 C 0.581146000 -0.157890000 -3.475486000 C -0.559313000 -1.015238000 -3.476869000 C -1.836590000 -0.519232000 -3.037608000 C 1.857409000 -0.656958000 -3.037026000 C 1.976448000 -1.995342000 -2.603262000 C 0.809994000 -2.870984000 -2.605614000 C -0.435247000 -2.386603000 -3.040040000 C 2.750704000 -2.296359000 -1.434652000 C 2.078996000 -3.353616000 -0.710200000 C 0.883121000 -3.708719000 -1.434587000 C -0.297433000 -4.048672000 -0.727360000 C -0.297433000 -4.048672000 0.727360000 C 0.883121000 -3.708719000 1.434587000 C 2.078996000 -3.353616000 0.710200000 C 2.750704000 -2.296359000 1.434652000 C 1.976448000 -1.995342000 2.603262000 C 0.809994000 -2.870984000 2.605614000 C -0.435247000 -2.386603000 3.040040000 C -0.559313000 -1.015238000 3.476869000 C 0.581146000 -0.157890000 3.475486000 C 1.857409000 -0.656958000 3.037026000 C 2.537562000 0.412752000 2.314112000 C -1.958555000 0.815232000 2.601426000 C -1.836590000 -0.519232000 3.037608000 C 3.312092000 0.112326000 1.173539000 C 3.410044000 -1.253015000 0.722947000 C -1.576649000 -3.569677000 1.176431000 C -1.650284000 -2.740665000 2.316749000 C -2.514067000 -1.591683000 2.314879000 C 3.410044000 -1.253015000 -0.722947000 C -1.650284000 -2.740665000 -2.316749000 C -1.576649000 -3.569677000 -1.176431000 C -2.376257000 -3.264011000 0.000000000 C -2.514067000 -1.591683000 -2.314879000 C -3.288946000 -1.293073000 -1.175085000 C -3.217355000 -2.146707000 0.000000000 C 1.675617000 1.563352000 -2.313977000 C 2.537562000 0.412752000 -2.314112000 C 3.312092000 0.112326000 -1.173539000 C -3.396125000 0.069841000 -0.723162000 C 1.605331000 2.390237000 -1.173757000 C -3.288946000 -1.293073000 1.175085000 C -3.396125000 0.069841000 0.723162000 C -2.739676000 1.116103000 1.433484000 C 2.408883000 2.090231000 0.000000000 C 3.248551000 0.965752000 0.000000000 C 0.181929000 5.903324000 -1.177154000 C 0.181929000 5.903324000 1.177154000 C -1.095825000 5.830714000 0.729514000 C -1.095825000 5.830714000 -0.729514000 C 1.114182000 5.991291000 0.000000000 H 0.507314000 5.918638000 -2.210065000 H -1.986337000 5.763540000 -1.344167000 H -1.986337000 5.763540000 1.344167000 H 0.507314000 5.918638000 2.210065000 H 1.870417000 5.195313000 0.000000000 H 1.671733000 6.940765000 0.000000000 TSbir[5,6] E=-2480.425275 G=-2480.019773 C -2.993257000 -0.438735000 -0.577813000 C -2.915477000 -0.044796000 0.821840000 C -2.560711000 1.266998000 1.185537000 C -2.201756000 2.244848000 0.154966000 C -2.208731000 1.871709000 -1.201788000 C -2.555344000 0.529868000 -1.574452000 C -2.424649000 -1.792995000 -0.662176000 C -2.115483000 -2.243921000 0.657017000 C -2.415912000 -1.163481000 1.586058000 C -1.586566000 -0.944974000 2.701923000 C -1.705929000 1.492326000 2.319303000 C -1.124648000 3.058125000 0.670678000 C -0.077004000 3.492942000 -0.192950000 C -0.082816000 3.111280000 -1.576323000 C -1.130385000 2.307103000 -2.077976000 C -0.834161000 1.226292000 -2.987235000 C -1.716320000 0.128596000 -2.674821000 C -1.247855000 -1.205492000 -2.768977000 C -1.602997000 -2.172427000 -1.750034000 C -0.987187000 -3.084019000 0.876782000 C -0.154069000 -3.476414000 -0.241235000 C -0.459316000 -3.030161000 -1.534263000 C 0.605637000 -2.580413000 -2.416749000 C 0.117412000 -1.463181000 -3.176155000 C 0.983658000 -0.383637000 -3.485479000 C 0.507971000 0.971355000 -3.387126000 C 1.580269000 1.793442000 -2.884055000 C 1.293464000 2.853651000 -1.985767000 C -0.814577000 2.600173000 1.995978000 C 3.575237000 1.793413000 0.688035000 C 2.746014000 2.175857000 1.781118000 C 2.397619000 1.216122000 2.789331000 C 2.872038000 -0.109380000 2.696072000 C 3.723489000 -0.505425000 1.577681000 C 4.072551000 0.042072000 -0.804384000 C 3.573313000 1.162075000 -1.567220000 C 3.266493000 2.243196000 -0.632941000 C 2.140483000 3.073354000 -0.853634000 C 1.296247000 3.473536000 0.269038000 C 1.597215000 3.032749000 1.559920000 C 1.020773000 1.468759000 3.197739000 C 0.165399000 0.386139000 3.503441000 C 0.651988000 -0.963799000 3.404992000 C 1.998875000 -1.209157000 2.998610000 C 2.294513000 -2.286813000 2.087540000 C 3.368100000 -1.860418000 1.208869000 C 3.358017000 -2.232896000 -0.142295000 C 3.715819000 -1.272096000 -1.165097000 C 2.739247000 0.945865000 -2.671652000 C 2.368083000 -0.407505000 -3.041230000 C 2.846391000 -1.494706000 -2.301128000 C 1.955487000 -2.603890000 -1.978692000 C 2.265844000 -3.050773000 -0.655371000 C 1.229381000 -3.480693000 0.212497000 C 1.244021000 -3.099827000 1.593489000 C -0.132411000 -2.844552000 2.003927000 C -0.418906000 -1.788349000 2.901636000 C 0.530727000 2.585636000 2.443223000 C -1.224518000 0.400760000 3.068405000 C 4.068009000 0.426949000 0.594833000 C -5.283524000 -0.647421000 -1.034603000 C -6.058369000 0.067496000 1.063811000 C -6.019613000 1.139306000 0.215451000 C -5.604215000 0.703861000 -1.085095000 H -5.486913000 1.345024000 -1.950133000 H -6.248203000 2.165602000 0.478422000 H -6.322390000 0.086732000 2.114006000 H -5.090425000 -1.274887000 -1.895187000 C -5.720380000 -1.185835000 0.305192000 H -6.623762000 -1.804246000 0.170421000 H -4.984500000 -1.824252000 0.805163000 Proint[5,6] E=-2480.459329 G=-2480.049066 C -3.239712000 -0.477596000 -0.441140000 C -2.905533000 0.459545000 0.738098000 C -2.450917000 1.779648000 0.561304000 C -2.060179000 2.268369000 -0.744636000 C -2.086716000 1.383262000 -1.843447000 C -2.545633000 0.022826000 -1.690488000 C -2.566152000 -1.783795000 0.034106000 C -2.226160000 -1.676182000 1.411712000 C -2.434515000 -0.292957000 1.837318000 C -1.576528000 0.283933000 2.810467000 C -1.558188000 2.383868000 1.536077000 C -0.920475000 3.157523000 -0.572332000 C 0.129695000 3.168120000 -1.519873000 C 0.088636000 2.274191000 -2.643196000 C -1.016808000 1.391116000 -2.803905000 C -0.802244000 0.028995000 -3.234456000 C -1.754946000 -0.813868000 -2.534879000 C -1.382652000 -2.108734000 -2.124116000 C -1.784894000 -2.580594000 -0.803811000 C -1.162918000 -2.420208000 1.964144000 C -0.368461000 -3.257737000 1.099564000 C -0.667281000 -3.329007000 -0.259712000 C 0.410699000 -3.326555000 -1.240926000 C -0.025727000 -2.566559000 -2.372886000 C 0.898399000 -1.742269000 -3.070003000 C 0.507922000 -0.432159000 -3.500842000 C 1.641345000 0.466844000 -3.338273000 C 1.428413000 1.809501000 -2.912191000 C -0.618446000 3.239259000 0.826470000 C 3.703148000 1.768325000 -0.016307000 C 2.926593000 2.584418000 0.832816000 C 2.528322000 2.100973000 2.131542000 C 2.915172000 0.824861000 2.560512000 C 3.709060000 -0.018864000 1.683199000 C 4.039105000 -0.459584000 -0.720808000 C 3.600455000 0.297276000 -1.849866000 C 3.389913000 1.683483000 -1.419254000 C 2.320476000 2.416456000 -1.949476000 C 1.515923000 3.256136000 -1.073635000 C 1.811735000 3.336325000 0.284313000 C 1.164133000 2.566052000 2.391028000 C 0.254029000 1.735239000 3.086477000 C 0.652789000 0.430531000 3.517381000 C 1.971946000 -0.029617000 3.250036000 C 2.186284000 -1.389598000 2.818599000 C 3.255233000 -1.398396000 1.858034000 C 3.206134000 -2.265557000 0.752432000 C 3.596802000 -1.799502000 -0.545626000 C 2.731996000 -0.284398000 -2.800503000 C 2.279108000 -1.663739000 -2.622012000 C 2.704598000 -2.401992000 -1.523165000 C 1.760278000 -3.253085000 -0.810096000 C 2.063497000 -3.167061000 0.586063000 C 1.025578000 -3.167802000 1.539253000 C 1.076254000 -2.275059000 2.659441000 C -0.267194000 -1.803060000 2.918149000 C -0.478992000 -0.469228000 3.341062000 C 0.728430000 3.328261000 1.263999000 C -1.133403000 1.652653000 2.641082000 C 4.093589000 0.439339000 0.426255000 C -4.790247000 -0.631284000 -0.699182000 C -6.392153000 0.170113000 0.919131000 C -6.273358000 1.122154000 -0.085262000 C -5.407726000 0.691353000 -1.082425000 H -5.138911000 1.239544000 -1.976876000 H -6.791887000 2.075912000 -0.094156000 H -7.007552000 0.255832000 1.807055000 H -4.880005000 -1.376941000 -1.498527000 C -5.585492000 -1.052835000 0.572594000 H -6.240485000 -1.907506000 0.348756000 H -4.933376000 -1.379248000 1.390181000 TSbir[6,6] E=-2480.425275 G=-2480.019773 C 2.986743000 0.246314000 -0.701611000 C 2.522382000 1.639372000 -0.748106000 C 2.139797000 2.309488000 0.424048000 C 2.118777000 1.591849000 1.697661000 C 2.503296000 0.229081000 1.758336000 C 2.882298000 -0.452282000 0.568166000 C 2.406162000 -0.416689000 -1.876509000 C 1.713443000 0.553760000 -2.658168000 C 1.783924000 1.834343000 -1.966035000 C 0.676371000 2.706702000 -1.990234000 C 0.998189000 3.192113000 0.405146000 C 0.975863000 2.047249000 2.451666000 C 0.239633000 1.130289000 3.259958000 C 0.629628000 -0.253989000 3.323625000 C 1.744295000 -0.704201000 2.583635000 C 1.678908000 -1.959878000 1.881376000 C 2.389460000 -1.807615000 0.634322000 C 1.910504000 -2.449666000 -0.533373000 C 1.915311000 -1.745871000 -1.797577000 C 0.536968000 0.188246000 -3.371704000 C 0.042885000 -1.173594000 -3.296103000 C 0.724303000 -2.124733000 -2.522696000 C -0.024033000 -3.056785000 -1.692725000 C 0.708140000 -3.257241000 -0.473611000 C 0.012227000 -3.409614000 0.752408000 C 0.496813000 -2.752011000 1.938200000 C -0.639646000 -2.302033000 2.703067000 C -0.578381000 -1.064299000 3.389308000 C 0.282142000 3.026572000 1.664289000 C -3.573341000 0.431835000 1.876596000 C -3.077519000 1.766245000 1.797310000 C -3.076170000 2.461367000 0.540284000 C -3.555994000 1.819966000 -0.618288000 C -4.065904000 0.452966000 -0.541372000 C -3.694513000 -1.625376000 0.745981000 C -2.952138000 -1.824805000 1.971186000 C -2.880800000 -0.543495000 2.665467000 C -1.706529000 -0.179782000 3.363979000 C -1.203751000 1.190099000 3.288376000 C -1.882084000 2.143906000 2.520590000 C -1.866153000 3.273942000 0.475450000 C -1.178898000 3.420559000 -0.750636000 C -1.669052000 2.760420000 -1.929427000 C -2.851347000 1.961832000 -1.862944000 C -2.915439000 0.703996000 -2.562803000 C -3.674219000 -0.232869000 -1.750544000 C -3.290406000 -1.582069000 -1.692815000 C -3.303992000 -2.291641000 -0.429051000 C -1.846115000 -2.684805000 1.990634000 C -1.441645000 -3.369856000 0.777664000 C -2.157044000 -3.176312000 -0.409446000 C -1.441030000 -3.013400000 -1.669708000 C -2.135320000 -2.035436000 -2.452031000 C -1.407710000 -1.119150000 -3.256657000 C -1.801936000 0.259201000 -3.313772000 C -0.591353000 1.071108000 -3.378456000 C -0.531264000 2.308959000 -2.693467000 C -1.134771000 3.079332000 1.692566000 C 0.279384000 3.390677000 -0.786203000 C -4.074834000 -0.225565000 0.684311000 C 5.282889000 0.383425000 -1.023759000 C 6.224957000 0.056722000 1.115344000 C 6.182869000 -1.139558000 0.461434000 C 5.657589000 -0.944890000 -0.861830000 H 5.526976000 -1.726053000 -1.601698000 H 6.486987000 -2.097843000 0.866673000 H 6.548364000 0.223733000 2.135506000 H 5.077279000 0.860133000 -1.972883000 C 5.725282000 1.144503000 0.204993000 H 6.534915000 1.842512000 -0.060701000 H 4.936874000 1.755956000 0.658813000 Proint[6,6] E=-2480.460005 G=-2480.050064 C -2.518255000 1.041213000 -1.468883000 C -3.236503000 -0.057682000 -0.657143000 C -2.890769000 0.094410000 0.808728000 C -2.390814000 1.326023000 1.373045000 C -1.994501000 2.398313000 0.545860000 C -2.039579000 2.230573000 -0.892090000 C -1.823132000 0.465124000 -2.556476000 C -1.841327000 -0.989304000 -2.412465000 C -2.553162000 -1.319672000 -1.226109000 C -2.094079000 -2.359837000 -0.417069000 C -2.420797000 -0.987775000 1.616095000 C -1.628571000 1.005526000 2.548950000 C -0.460681000 1.750771000 2.877906000 C -0.045558000 2.835788000 2.034437000 C -0.789949000 3.148345000 0.873098000 C -0.106904000 3.463975000 -0.347294000 C -0.871534000 2.893849000 -1.446536000 C -0.212776000 2.344113000 -2.542172000 C -0.690658000 1.105859000 -3.123154000 C -0.722584000 -1.743009000 -2.826867000 C 0.443465000 -1.073419000 -3.357368000 C 0.454498000 0.334292000 -3.509157000 C 1.652554000 1.095168000 -3.183417000 C 1.246065000 2.330169000 -2.587289000 C 1.985047000 2.882436000 -1.515443000 C 1.311191000 3.459792000 -0.395345000 C 2.078203000 3.133834000 0.803540000 C 1.412811000 2.827673000 1.987111000 C -1.640503000 -0.431379000 2.703952000 C 2.981324000 -0.474250000 2.584745000 C 1.845239000 -1.113147000 3.128290000 C 1.360505000 -2.359209000 2.535326000 C 2.018762000 -2.916465000 1.444325000 C 3.187934000 -2.255450000 0.887581000 C 4.094065000 0.046533000 0.601460000 C 3.692952000 1.302388000 1.216797000 C 2.998152000 0.985437000 2.436267000 C 1.879666000 1.733801000 2.827329000 C 0.715477000 1.071783000 3.368558000 C 0.704591000 -0.346023000 3.522322000 C -0.092496000 -2.342455000 2.585879000 C -0.843858000 -2.885436000 1.510103000 C -0.167471000 -3.459599000 0.386047000 C 1.249842000 -3.481038000 0.341550000 C 1.932913000 -3.161739000 -0.875325000 C 3.139310000 -2.401804000 -0.537841000 C 3.555475000 -1.348700000 -1.370425000 C 4.041428000 -0.101402000 -0.781107000 C 3.243344000 2.363354000 0.402579000 C 3.187279000 2.201303000 -1.028438000 C 3.584846000 0.994788000 -1.620167000 C 2.809858000 0.423098000 -2.698722000 C 2.796813000 -1.011365000 -2.543419000 C 1.625436000 -1.757869000 -2.875804000 C 1.202510000 -2.839672000 -2.036901000 C -0.261390000 -2.831130000 -1.998552000 C -0.928421000 -3.128705000 -0.812098000 C -0.490939000 -1.103213000 3.184587000 C -2.041559000 -2.213125000 1.033490000 C 3.659764000 -1.045223000 1.464883000 C -4.790242000 -0.041689000 -0.905836000 C -6.408543000 -0.474586000 0.837913000 C -6.312393000 0.899295000 0.661773000 C -5.423180000 1.213759000 -0.358480000 H -5.157398000 2.209278000 -0.692976000 H -6.861260000 1.633779000 1.243148000 H -4.916842000 -0.125537000 -1.992739000 H -7.030783000 -0.980204000 1.567041000 C -5.534791000 -1.190044000 -0.158208000 H -6.131292000 -1.789214000 -0.860475000 H -4.842831000 -1.892326000 0.322460000 TS[5,6] E=-2480.441276 G=-2480.028028 C 3.245931000 -0.769496000 -0.226490000 C 3.090731000 0.786749000 -0.286583000 C 2.585845000 1.492589000 0.848699000 C 2.234841000 0.827541000 2.096122000 C 2.236887000 -0.576511000 2.159085000 C 2.603301000 -1.357873000 1.005875000 C 2.458326000 -1.216719000 -1.468303000 C 2.108218000 -0.094387000 -2.261267000 C 2.428355000 1.111268000 -1.551208000 C 1.583145000 2.244948000 -1.699274000 C 1.714111000 2.635411000 0.712064000 C 1.168131000 1.571730000 2.721367000 C 0.133429000 0.895376000 3.393910000 C 0.140904000 -0.548695000 3.467280000 C 1.181765000 -1.272417000 2.864241000 C 0.883695000 -2.480456000 2.114709000 C 1.756568000 -2.514891000 0.970510000 C 1.293620000 -3.044974000 -0.263394000 C 1.632899000 -2.353533000 -1.484204000 C 0.984514000 -0.139983000 -3.144263000 C 0.162421000 -1.314674000 -3.184983000 C 0.474446000 -2.414385000 -2.363659000 C -0.574186000 -3.122503000 -1.685070000 C -0.076233000 -3.507088000 -0.376591000 C -0.928680000 -3.465735000 0.733362000 C -0.449960000 -2.945721000 2.001968000 C -1.515566000 -2.200017000 2.606624000 C -1.228666000 -1.010806000 3.327124000 C 0.849129000 2.695392000 1.858802000 C -3.533025000 1.220959000 1.478877000 C -2.706411000 2.382293000 1.505803000 C -2.362063000 3.043939000 0.283501000 C -2.834417000 2.546533000 -0.950252000 C -3.683749000 1.350806000 -0.977761000 C -4.017700000 -0.744866000 0.284041000 C -3.513898000 -1.114559000 1.581705000 C -3.211500000 0.096651000 2.307883000 C -2.077603000 0.144609000 3.170100000 C -1.243976000 1.324152000 3.209675000 C -1.547305000 2.427452000 2.384558000 C -0.985897000 3.516914000 0.397441000 C -0.142136000 3.470935000 -0.713278000 C -0.632772000 2.953959000 -1.979731000 C -1.971383000 2.500165000 -2.089041000 C -2.273306000 1.277927000 -2.835285000 C -3.338516000 0.579669000 -2.155651000 C -3.327684000 -0.830981000 -2.086283000 C -3.661903000 -1.490811000 -0.847741000 C -2.668202000 -2.253385000 1.725146000 C -2.309478000 -3.025930000 0.569983000 C -2.786121000 -2.656671000 -0.702770000 C -1.921787000 -2.711481000 -1.844021000 C -2.242831000 -1.572875000 -2.699462000 C -1.222039000 -0.893248000 -3.365069000 C -1.234732000 0.557538000 -3.437177000 C 0.134889000 1.015180000 -3.294174000 C 0.428285000 2.199606000 -2.582431000 C -0.492917000 3.128990000 1.705928000 C 1.239335000 3.035634000 -0.559341000 C -4.024851000 0.712543000 0.212898000 C 4.804795000 -1.122075000 -0.322161000 C 5.261730000 1.125009000 -0.461578000 C 5.633493000 0.695988000 0.863158000 C 5.439779000 -0.648514000 0.961383000 H 5.549964000 -1.255723000 1.851518000 H 5.915587000 1.360258000 1.672525000 H 5.368771000 2.140194000 -0.827135000 H 4.937652000 -2.177776000 -0.565917000 C 5.355041000 -0.101311000 -1.338599000 H 6.401632000 -0.328379000 -1.584022000 H 4.783980000 -0.043875000 -2.267341000 Prod[5,6] E=-2480.46523 G=-2480.04848 C -3.269693000 0.810100000 -0.266030000 C -3.269697000 -0.810132000 -0.265924000 C -2.605693000 -1.432970000 0.931689000 C -2.234154000 -0.701763000 2.120231000 C -2.234154000 0.702039000 2.120141000 C -2.605692000 1.433092000 0.931503000 C -2.455429000 1.164611000 -1.512946000 C -2.111774000 -0.000144000 -2.249408000 C -2.455428000 -1.164805000 -1.512794000 C -1.619554000 -2.293505000 -1.593189000 C -1.746823000 -2.573491000 0.844772000 C -1.177553000 -1.423416000 2.795961000 C -0.139230000 -0.723215000 3.434290000 C -0.139230000 0.723661000 3.434197000 C -1.177553000 1.423779000 2.795778000 C -0.872153000 2.589376000 1.991380000 C -1.746822000 2.573602000 0.844440000 C -1.278330000 3.045751000 -0.411947000 C -1.619552000 2.293300000 -1.593486000 C -0.989507000 -0.000203000 -3.141662000 C -0.156702000 1.164229000 -3.242350000 C -0.461763000 2.305512000 -2.474218000 C 0.590277000 3.041216000 -1.834726000 C 0.094123000 3.492525000 -0.545774000 C 0.945332000 3.497475000 0.566165000 C 0.461538000 3.041069000 1.856858000 C 1.525617000 2.318187000 2.498556000 C 1.232315000 1.170462000 3.273861000 C -0.872153000 -2.589116000 1.991713000 C 3.518292000 -1.169490000 1.530901000 C 2.678108000 -2.324422000 1.617962000 C 2.321966000 -3.038561000 0.427065000 C 2.795646000 -2.603671000 -0.829214000 C 3.660626000 -1.421865000 -0.916598000 C 4.010419000 0.729681000 0.247470000 C 3.518293000 1.169685000 1.530752000 C 3.205181000 0.000149000 2.308309000 C 2.073729000 0.000205000 3.172112000 C 1.232315000 -1.170038000 3.274012000 C 1.525617000 -2.317865000 2.498853000 C 0.945331000 -3.497402000 0.566615000 C 0.094121000 -3.492595000 -0.545324000 C 0.590275000 -3.041454000 -1.834335000 C 1.934987000 -2.611030000 -1.970867000 C 2.247814000 -1.427867000 -2.771657000 C 3.323561000 -0.707740000 -2.125017000 C 3.323561000 0.707464000 -2.125107000 C 3.660626000 1.421744000 -0.916779000 C 2.678109000 2.324630000 1.617664000 C 2.321967000 3.038614000 0.426675000 C 2.795647000 2.603562000 -0.829548000 C 1.934988000 2.610773000 -1.971201000 C 2.247816000 1.427508000 -2.771839000 C 1.220826000 0.726323000 -3.408723000 C 1.220826000 -0.726763000 -3.408629000 C -0.156704000 -1.164648000 -3.242200000 C -0.461764000 -2.305832000 -2.473920000 C 0.461538000 -3.040827000 1.857249000 C -1.278331000 -3.045803000 -0.411554000 C 4.010420000 -0.729652000 0.247564000 C -4.822532000 1.128700000 -0.389170000 C -4.822535000 -1.128749000 -0.389030000 C -5.448518000 -0.669654000 0.918779000 C -5.448488000 0.669770000 0.918708000 H -5.725401000 1.328347000 1.733887000 H -5.725453000 -1.328132000 1.734030000 H -5.013505000 -2.158981000 -0.693095000 H -5.013497000 2.158895000 -0.693361000 C -5.285317000 -0.000084000 -1.333593000 H -6.368931000 -0.000094000 -1.476149000 H -4.787079000 -0.000148000 -2.306127000 TS[6,6] E=-2480.425275 G=-2480.014124 C 2.590586000 -0.969648000 -1.446235000 C 3.244664000 0.211880000 -0.724166000 C 3.073267000 0.145819000 0.800228000 C 2.540420000 -1.065667000 1.415752000 C 2.167074000 -2.208031000 0.646091000 C 2.199723000 -2.153709000 -0.784821000 C 1.859168000 -0.511138000 -2.561860000 C 1.788036000 0.946730000 -2.503067000 C 2.476719000 1.385873000 -1.349943000 C 1.967046000 2.466844000 -0.601316000 C 2.426919000 1.245284000 1.505823000 C 1.754528000 -0.710259000 2.566592000 C 0.643473000 -1.487946000 2.971330000 C 0.261368000 -2.652691000 2.191217000 C 1.012822000 -3.004072000 1.042988000 C 0.336272000 -3.447946000 -0.138996000 C 1.058458000 -2.916743000 -1.283715000 C 0.357224000 -2.474077000 -2.402903000 C 0.761882000 -1.249577000 -3.072323000 C 0.619565000 1.609228000 -2.956457000 C -0.498521000 0.843765000 -3.442017000 C -0.428489000 -0.564016000 -3.498739000 C -1.575235000 -1.362952000 -3.098372000 C -1.093853000 -2.536083000 -2.428640000 C -1.798388000 -3.058357000 -1.307593000 C -1.079737000 -3.518286000 -0.160983000 C -1.847263000 -3.162581000 1.026888000 C -1.175214000 -2.738449000 2.185224000 C 1.683463000 0.723063000 2.623513000 C -2.928255000 0.501466000 2.600892000 C -1.828956000 1.242284000 3.066086000 C -1.433773000 2.474583000 2.393041000 C -2.150139000 2.921984000 1.269356000 C -3.270885000 2.148847000 0.777720000 C -4.044920000 -0.203314000 0.660425000 C -3.542676000 -1.375148000 1.338695000 C -2.856545000 -0.945415000 2.543030000 C -1.687809000 -1.608539000 2.952297000 C -0.558076000 -0.849409000 3.443719000 C -0.627713000 0.561815000 3.499668000 C 0.002867000 2.532067000 2.398051000 C 0.710709000 3.047782000 1.283850000 C -0.011665000 3.513768000 0.137671000 C -1.427367000 3.444535000 0.116518000 C -2.102485000 3.007986000 -1.066184000 C -3.245953000 2.200622000 -0.663063000 C -3.607865000 1.065342000 -1.413099000 C -4.030393000 -0.145843000 -0.753054000 C -3.041336000 -2.469181000 0.594216000 C -3.015691000 -2.402171000 -0.845645000 C -3.490815000 -1.253678000 -1.504546000 C -2.766805000 -0.721690000 -2.655519000 C -2.837302000 0.700249000 -2.598333000 C -1.717260000 1.489842000 -2.983814000 C -1.352766000 2.649757000 -2.222469000 C 0.097145000 2.731104000 -2.196928000 C 0.755597000 3.150833000 -1.042930000 C 0.503318000 1.351504000 3.084166000 C 1.935600000 2.406525000 0.829091000 C -3.657112000 0.954982000 1.431223000 C 4.822014000 0.317430000 -1.044177000 C 5.213209000 0.288614000 1.213513000 C 5.612631000 -0.993358000 0.698474000 C 5.452759000 -0.988714000 -0.655744000 H 5.580403000 -1.830196000 -1.325817000 H 5.882785000 -1.848944000 1.307385000 H 4.969354000 0.638520000 -2.076240000 H 5.273904000 0.574153000 2.257458000 C 5.330816000 1.259959000 0.063318000 H 6.380768000 1.529630000 -0.115190000 H 4.744324000 2.174772000 0.174312000 Prod[6,6] E=-2480.451707 G=-2480.037565 C 2.613875000 -0.947450000 -1.456694000 C 3.275489000 0.235143000 -0.754508000 C 3.247693000 0.167408000 0.841702000 C 2.561817000 -1.067149000 1.416738000 C 2.190967000 -2.184932000 0.644897000 C 2.218792000 -2.129529000 -0.789971000 C 1.870125000 -0.496128000 -2.564965000 C 1.790209000 0.962313000 -2.502861000 C 2.483868000 1.398447000 -1.355211000 C 1.961761000 2.472045000 -0.598634000 C 2.431025000 1.273770000 1.509824000 C 1.773682000 -0.706241000 2.536597000 C 0.662992000 -1.491082000 2.958634000 C 0.286248000 -2.651614000 2.184261000 C 1.034748000 -2.993309000 1.039651000 C 0.363352000 -3.438379000 -0.143037000 C 1.083886000 -2.900844000 -1.285548000 C 0.377028000 -2.466059000 -2.406137000 C 0.772840000 -1.238104000 -3.071749000 C 0.615334000 1.618627000 -2.951369000 C -0.497112000 0.852941000 -3.438166000 C -0.419388000 -0.561547000 -3.497765000 C -1.559707000 -1.366307000 -3.101436000 C -1.072371000 -2.538106000 -2.433345000 C -1.778027000 -3.066323000 -1.312944000 C -1.053244000 -3.520515000 -0.162635000 C -1.820547000 -3.175116000 1.022491000 C -1.156502000 -2.753085000 2.188205000 C 1.693970000 0.737790000 2.594674000 C -2.926923000 0.482053000 2.597494000 C -1.827493000 1.238844000 3.066018000 C -1.445495000 2.471955000 2.405611000 C -2.157661000 2.913895000 1.275726000 C -3.272547000 2.131717000 0.778843000 C -4.051877000 -0.223996000 0.660511000 C -3.527783000 -1.388997000 1.332748000 C -2.847546000 -0.960455000 2.537618000 C -1.668949000 -1.628040000 2.946674000 C -0.540891000 -0.856762000 3.420760000 C -0.618763000 0.559437000 3.479450000 C -0.000705000 2.530580000 2.400148000 C 0.699844000 3.047394000 1.291331000 C -0.021659000 3.511563000 0.146005000 C -1.438674000 3.438611000 0.126833000 C -2.114470000 3.003933000 -1.060294000 C -3.249761000 2.189069000 -0.659608000 C -3.607982000 1.049148000 -1.412612000 C -4.026997000 -0.163594000 -0.757938000 C -3.016353000 -2.481287000 0.586739000 C -2.994144000 -2.416650000 -0.850876000 C -3.479471000 -1.264706000 -1.508410000 C -2.754223000 -0.729418000 -2.657298000 C -2.832704000 0.693433000 -2.598202000 C -1.717527000 1.492239000 -2.982365000 C -1.359329000 2.651351000 -2.217557000 C 0.089130000 2.737176000 -2.189876000 C 0.748615000 3.153301000 -1.034085000 C 0.505990000 1.358140000 3.076296000 C 1.934519000 2.405489000 0.835583000 C -3.655956000 0.931715000 1.429330000 C 4.837755000 0.355570000 -1.046252000 C 4.798630000 0.262409000 1.198485000 C 5.435626000 -1.021829000 0.702327000 C 5.458075000 -0.966576000 -0.635802000 H 5.743244000 -1.753469000 -1.324600000 H 5.698334000 -1.863102000 1.333364000 H 5.036277000 0.698989000 -2.061972000 H 4.960770000 0.520835000 2.245467000 C 5.271279000 1.259205000 0.123389000 H 6.352148000 1.419833000 0.149286000 H 4.750927000 2.221410000 0.153814000 S=4 9C60 E=-2286.219938 G=-2285.906558 C -0.439915000 3.503573000 0.631805000 C 1.014615000 3.361214000 0.617247000 C 1.683988000 3.062136000 -0.593605000 C 0.933850000 2.885730000 -1.808506000 C -0.485178000 3.011870000 -1.799105000 C -1.177083000 3.326064000 -0.580097000 C -0.918972000 2.937967000 1.842998000 C 0.235137000 2.440226000 2.590264000 C 1.423321000 2.730514000 1.840057000 C 2.516875000 1.783704000 1.830126000 C 2.782188000 2.110677000 -0.603314000 C 1.558673000 1.827165000 -2.567536000 C 0.764025000 0.916751000 -3.306863000 C -0.675060000 1.042645000 -3.306553000 C -1.297944000 2.081017000 -2.555420000 C -2.494920000 1.816966000 -1.807142000 C -2.422542000 2.579803000 -0.572715000 C -2.895220000 2.022799000 0.621066000 C -2.137944000 2.192305000 1.849482000 C 0.136294000 1.233585000 3.322245000 C -1.094662000 0.489191000 3.322608000 C -2.220165000 0.963567000 2.588212000 C -3.031531000 0.032403000 1.830724000 C -3.454294000 0.683057000 0.621887000 C -3.537284000 -0.061547000 -0.595935000 C -3.059345000 0.504236000 -1.807509000 C -2.407908000 -0.559644000 -2.570660000 C -1.235440000 -0.282100000 -3.312517000 C 2.702763000 1.353734000 -1.824011000 C 0.918972000 -2.937967000 -1.842998000 C 2.137944000 -2.192305000 -1.849482000 C 2.895220000 -2.022799000 -0.621066000 C 2.422542000 -2.579803000 0.572715000 C 1.177083000 -3.326064000 0.580097000 C -1.014615000 -3.361214000 -0.617247000 C -1.423321000 -2.730514000 -1.840057000 C -0.235137000 -2.440226000 -2.590264000 C -0.136294000 -1.233585000 -3.322245000 C 1.094662000 -0.489191000 -3.322608000 C 2.220165000 -0.963567000 -2.588212000 C 3.454294000 -0.683057000 -0.621887000 C 3.537284000 0.061547000 0.595935000 C 3.059345000 -0.504236000 1.807509000 C 2.494920000 -1.816966000 1.807142000 C 1.297944000 -2.081017000 2.555420000 C 0.485178000 -3.011870000 1.799105000 C -0.933850000 -2.885730000 1.808506000 C -1.683988000 -3.062136000 0.593605000 C -2.516875000 -1.783704000 -1.830126000 C -3.187189000 -1.480650000 -0.597809000 C -2.782188000 -2.110677000 0.603314000 C -2.702763000 -1.353734000 1.824011000 C -1.558673000 -1.827165000 2.567536000 C -0.764025000 -0.916751000 3.306863000 C 0.675060000 -1.042645000 3.306553000 C 1.235440000 0.282100000 3.312517000 C 2.407908000 0.559644000 2.570660000 C 3.031531000 -0.032403000 -1.830724000 C 3.187189000 1.480650000 0.597809000 C 0.439915000 -3.503573000 -0.631805000 Pre-reactants E=-2480.350960 G=-2479.949863 C -2.239787000 -1.081920000 -1.840631000 C -2.875888000 -0.204448000 -0.877701000 C -2.630287000 1.219274000 -0.943352000 C -1.768923000 1.751840000 -1.971934000 C -1.163640000 0.880377000 -2.914135000 C -1.399311000 -0.542913000 -2.847504000 C -1.874540000 -2.310837000 -1.172782000 C -2.249417000 -2.186604000 0.203113000 C -2.865176000 -0.868025000 0.384336000 C -2.622905000 -0.133719000 1.571683000 C -2.397643000 1.969261000 0.256394000 C -1.016494000 2.854308000 -1.415862000 C 0.348089000 3.058367000 -1.816250000 C 0.956045000 2.158720000 -2.769586000 C 0.208555000 1.087964000 -3.314576000 C 0.822213000 -0.207132000 -3.491127000 C -0.171874000 -1.215156000 -3.203956000 C 0.199842000 -2.414575000 -2.549773000 C -0.652680000 -2.978848000 -1.528802000 C -1.411343000 -2.715443000 1.213363000 C -0.166983000 -3.393826000 0.848178000 C 0.193900000 -3.520803000 -0.508302000 C 1.588732000 -3.312760000 -0.916778000 C 1.581445000 -2.638772000 -2.174308000 C 2.570435000 -1.636724000 -2.463612000 C 2.176327000 -0.412172000 -3.122858000 C 2.952488000 0.674642000 -2.578444000 C 2.343556000 1.961010000 -2.397444000 C -1.390361000 2.989637000 -0.039152000 C 3.054713000 2.301449000 1.173780000 C 1.829553000 2.970331000 1.535213000 C 0.981555000 2.409501000 2.557731000 C 1.353524000 1.208453000 3.213813000 C 2.581493000 0.533381000 2.854400000 C 4.060485000 0.191979000 0.890642000 C 4.049739000 0.860594000 -0.379279000 C 3.425996000 2.178817000 -0.195016000 C 2.587012000 2.708974000 -1.206698000 C 1.340725000 3.391505000 -0.839103000 C 0.981488000 3.517810000 0.518125000 C -0.401720000 2.638293000 2.187788000 C -1.386435000 1.638375000 2.475324000 C -0.993892000 0.412526000 3.136991000 C 0.361544000 0.204050000 3.506771000 C 0.970128000 -1.090249000 3.327636000 C 2.346195000 -0.885314000 2.924845000 C 2.949344000 -1.750431000 1.982766000 C 3.822500000 -1.216827000 0.956825000 C 3.809695000 0.132331000 -1.558755000 C 3.572060000 -1.308190000 -1.490239000 C 3.579544000 -1.960702000 -0.242025000 C 2.565565000 -2.985314000 0.054416000 C 2.195860000 -2.855091000 1.425041000 C 0.827108000 -3.056936000 1.826832000 C 0.220834000 -2.161361000 2.779835000 C -1.165150000 -1.961577000 2.405571000 C -1.769755000 -0.674753000 2.584688000 C -0.411377000 3.315742000 0.928859000 C -2.390261000 1.313383000 1.505699000 C 3.420669000 1.067021000 1.843093000 C -5.858564000 0.021414000 -1.261148000 C -5.973600000 -0.546254000 1.019777000 C -5.839538000 0.797420000 0.900866000 C -5.773025000 1.150645000 -0.511598000 H -5.654437000 2.160072000 -0.887664000 H -5.771169000 1.509285000 1.715300000 H -5.840901000 -0.040737000 -2.342199000 H -6.044174000 -1.111007000 1.941242000 C -6.036914000 -1.162954000 -0.351584000 H -7.006849000 -1.655269000 -0.524389000 H -5.271319000 -1.934929000 -0.502756000 TSbir[5,6] E=-2480.349422 G=-2479.947076 C -2.410023000 -0.807681000 -1.740602000 C -2.995462000 0.053929000 -0.713831000 C -2.615657000 1.466544000 -0.711982000 C -1.772566000 1.995406000 -1.756602000 C -1.272872000 1.141097000 -2.774616000 C -1.592898000 -0.267938000 -2.764427000 C -2.079076000 -2.075985000 -1.150960000 C -2.377219000 -2.002604000 0.252447000 C -2.908733000 -0.675942000 0.530776000 C -2.558697000 -0.022920000 1.726283000 C -2.267557000 2.129279000 0.510140000 C -0.919985000 3.012980000 -1.186531000 C 0.429689000 3.155798000 -1.648662000 C 0.930074000 2.278414000 -2.677677000 C 0.090755000 1.285650000 -3.232933000 C 0.612553000 -0.031759000 -3.503100000 C -0.426659000 -0.992346000 -3.214673000 C -0.097578000 -2.242406000 -2.641721000 C -0.928656000 -2.802136000 -1.604472000 C -1.526882000 -2.647005000 1.190241000 C -0.349296000 -3.369952000 0.723057000 C -0.064467000 -3.444874000 -0.654345000 C 1.314675000 -3.305251000 -1.127125000 C 1.286762000 -2.565913000 -2.345053000 C 2.316765000 -1.613918000 -2.635494000 C 1.969145000 -0.337766000 -3.213701000 C 2.835943000 0.668896000 -2.656571000 C 2.323524000 1.975435000 -2.384612000 C -1.215132000 3.099231000 0.214083000 C 3.240354000 2.080266000 1.151721000 C 2.077466000 2.797887000 1.613830000 C 1.255066000 2.240150000 2.651281000 C 1.584710000 0.986056000 3.229233000 C 2.748569000 0.257853000 2.771230000 C 4.107725000 -0.066748000 0.718061000 C 4.065870000 0.668752000 -0.518199000 C 3.532694000 2.009673000 -0.235181000 C 2.673903000 2.645130000 -1.178430000 C 1.492513000 3.374795000 -0.709141000 C 1.209590000 3.448825000 0.668504000 C -0.132391000 2.564649000 2.361322000 C -1.154660000 1.614394000 2.646971000 C -0.808834000 0.338064000 3.229848000 C 0.548510000 0.028735000 3.522646000 C 1.064458000 -1.288281000 3.254166000 C 2.431438000 -1.144686000 2.787652000 C 2.928526000 -1.989507000 1.772025000 C 3.784521000 -1.456359000 0.727452000 C 3.718096000 0.021005000 -1.711393000 C 3.392846000 -1.399177000 -1.699969000 C 3.426712000 -2.116926000 -0.492190000 C 2.364027000 -3.091266000 -0.191809000 C 2.073930000 -3.011379000 1.199083000 C 0.717526000 -3.150443000 1.667197000 C 0.222646000 -2.281848000 2.694662000 C -1.170504000 -1.971048000 2.397943000 C -1.675066000 -0.668880000 2.662539000 C -0.165394000 3.312702000 1.142149000 C -2.235081000 1.405443000 1.719359000 C 3.567929000 0.791476000 1.741011000 C -5.397453000 0.165399000 -1.209835000 C -6.013144000 -0.708803000 0.878558000 C -5.987125000 0.653948000 0.956490000 C -5.655510000 1.200771000 -0.331512000 H -5.561781000 2.256224000 -0.555484000 H -6.166741000 1.243160000 1.848284000 H -5.218613000 0.266889000 -2.272469000 H -6.225726000 -1.396540000 1.687769000 C -5.756490000 -1.135025000 -0.540889000 H -6.678683000 -1.540012000 -0.990993000 H -4.999131000 -1.920874000 -0.639444000 Proint[5,6] E=-2480.386645 G=-2479.980078 C -3.260690000 -0.044505000 -0.627541000 C -2.900865000 -0.168221000 0.868230000 C -2.426457000 0.917083000 1.638587000 C -2.055470000 2.165588000 1.022129000 C -2.111054000 2.280879000 -0.387703000 C -2.580484000 1.182256000 -1.203237000 C -2.584410000 -1.318649000 -1.183896000 C -2.217880000 -2.177192000 -0.105124000 C -2.413241000 -1.468824000 1.144820000 C -1.539741000 -1.720297000 2.242875000 C -1.512902000 0.686543000 2.744098000 C -0.902791000 2.696240000 1.737105000 C 0.129697000 3.358171000 1.045559000 C 0.060157000 3.493684000 -0.386300000 C -1.056676000 2.953951000 -1.094870000 C -0.851891000 2.260426000 -2.340414000 C -1.798136000 1.157537000 -2.395945000 C -1.413362000 -0.068336000 -2.977750000 C -1.800651000 -1.315866000 -2.336076000 C -1.147720000 -3.105656000 -0.218740000 C -0.361807000 -3.122333000 -1.417884000 C -0.669603000 -2.227024000 -2.452705000 C 0.393436000 -1.552949000 -3.161488000 C -0.055762000 -0.220938000 -3.469477000 C 0.857048000 0.858833000 -3.424186000 C 0.456218000 2.114606000 -2.857817000 C 1.589820000 2.653013000 -2.127043000 C 1.388307000 3.338401000 -0.908575000 C -0.579479000 1.786817000 2.804136000 C 3.721150000 1.283858000 1.166677000 C 2.953584000 1.300838000 2.337149000 C 2.566422000 0.052724000 2.968774000 C 2.961363000 -1.170362000 2.404817000 C 3.751083000 -1.190102000 1.204538000 C 4.029101000 0.162938000 -0.841171000 C 3.585644000 1.511170000 -1.153327000 C 3.387577000 2.200313000 0.073645000 C 2.296046000 3.116428000 0.215967000 C 1.527979000 3.131266000 1.411361000 C 1.838165000 2.227336000 2.466080000 C 1.222359000 0.214804000 3.483067000 C 0.296331000 -0.869146000 3.430541000 C 0.686637000 -2.114679000 2.854471000 C 2.001803000 -2.277111000 2.335661000 C 2.205501000 -2.964650000 1.099000000 C 3.276304000 -2.294102000 0.387142000 C 3.208403000 -2.167444000 -1.012993000 C 3.582382000 -0.923613000 -1.635154000 C 2.691676000 1.727158000 -2.259820000 C 2.249405000 0.623140000 -3.053858000 C 2.684531000 -0.693087000 -2.749699000 C 1.752942000 -1.790343000 -2.804188000 C 2.073129000 -2.708360000 -1.743848000 C 1.030331000 -3.371979000 -1.047480000 C 1.088916000 -3.496112000 0.373524000 C -0.250931000 -3.329505000 0.895558000 C -0.451311000 -2.646606000 2.113844000 C 0.778475000 1.550682000 3.162576000 C -1.082355000 -0.615081000 3.049738000 C 4.140810000 0.030306000 0.589339000 C -4.813706000 0.006201000 -0.891749000 C -6.427131000 -0.569762000 0.812467000 C -6.315118000 0.813940000 0.766947000 C -5.437623000 1.212963000 -0.232949000 H -5.171160000 2.233059000 -0.480438000 H -6.847659000 1.496088000 1.422568000 H -7.050826000 -1.135170000 1.495075000 H -4.923271000 0.032518000 -1.983252000 C -5.588562000 -1.195222000 -0.270270000 H -6.217176000 -1.684102000 -1.028490000 H -4.919460000 -1.974622000 0.111661000 TSbir[6,6] E=-2480.345797 G=-2479.943207 C -2.346315000 -1.115314000 -1.657031000 C -2.968622000 -0.719615000 -0.394829000 C -2.922507000 0.697528000 -0.038188000 C -2.397766000 1.673305000 -0.964921000 C -1.864207000 1.258442000 -2.212013000 C -1.836855000 -0.144980000 -2.557370000 C -1.637728000 -2.347038000 -1.460158000 C -1.739779000 -2.706048000 -0.070053000 C -2.521260000 -1.688220000 0.598279000 C -2.173791000 -1.280325000 1.893161000 C -2.574402000 1.107629000 1.279398000 C -1.736810000 2.709968000 -0.207763000 C -0.537574000 3.312481000 -0.716845000 C 0.000174000 2.881419000 -1.979584000 C -0.651964000 1.866171000 -2.716410000 C 0.122012000 0.839715000 -3.371467000 C -0.608484000 -0.401735000 -3.276164000 C 0.086132000 -1.619325000 -3.092120000 C -0.427649000 -2.610190000 -2.183075000 C -0.633156000 -3.315295000 0.588774000 C 0.599365000 -3.554833000 -0.146601000 C 0.691773000 -3.209177000 -1.512670000 C 1.914818000 -2.604632000 -2.037051000 C 1.537624000 -1.625708000 -3.001760000 C 2.257359000 -0.395905000 -3.097623000 C 1.540217000 0.842897000 -3.279580000 C 2.215674000 1.876045000 -2.536514000 C 1.456854000 2.895323000 -1.885353000 C -1.833907000 2.365219000 1.180650000 C 2.821633000 2.368837000 1.467821000 C 1.602466000 2.614602000 2.193591000 C 1.095239000 1.625864000 3.100901000 C 1.792895000 0.404244000 3.291793000 C 3.017911000 0.147386000 2.565452000 C 4.103301000 0.705379000 0.402270000 C 3.709957000 1.681014000 -0.581240000 C 2.919410000 2.717928000 0.094193000 C 1.808532000 3.318192000 -0.574901000 C 0.568406000 3.566319000 0.162813000 C 0.476615000 3.219741000 1.527249000 C -0.356415000 1.626864000 3.012413000 C -1.069564000 0.398887000 3.105347000 C -0.352455000 -0.840199000 3.295900000 C 1.066372000 -0.837228000 3.390427000 C 1.837149000 -1.863328000 2.738318000 C 3.048615000 -1.250665000 2.223855000 C 3.579540000 -1.657957000 0.981562000 C 4.123687000 -0.678360000 0.058271000 C 3.355276000 1.274963000 -1.873074000 C 3.377427000 -0.137376000 -2.222321000 C 3.757914000 -1.092544000 -1.264969000 C 3.009773000 -2.352681000 -1.159841000 C 2.913622000 -2.695498000 0.219328000 C 1.712331000 -3.301521000 0.736628000 C 1.182580000 -2.878967000 1.995692000 C -0.276329000 -2.888766000 1.903956000 C -1.028925000 -1.874943000 2.547516000 C -0.741534000 2.615518000 2.048645000 C -2.191059000 0.140398000 2.240906000 C 3.528569000 1.113199000 1.658883000 C -5.398470000 -1.029874000 -0.560429000 C -6.313151000 0.613641000 0.864464000 C -6.235273000 1.113835000 -0.398056000 C -5.708878000 0.102757000 -1.284528000 H -5.554190000 0.230870000 -2.349772000 H -6.511964000 2.115548000 -0.706500000 H -5.153400000 -1.999441000 -0.971789000 H -6.646782000 1.141062000 1.749742000 C -5.826722000 -0.810425000 0.869458000 H -6.630520000 -1.511837000 1.142455000 H -5.021190000 -0.978430000 1.595400000 Proint[6,6] E=-2480.387187 G=-2479.980888 C 2.516204000 -0.209895000 -1.791015000 C 3.248281000 0.379537000 -0.566450000 C 2.920499000 -0.450298000 0.658716000 C 2.424464000 -1.807392000 0.582423000 C 2.004966000 -2.359275000 -0.651675000 C 2.028631000 -1.534534000 -1.832961000 C 1.799647000 0.808532000 -2.466373000 C 1.818792000 2.013219000 -1.660860000 C 2.554575000 1.757283000 -0.466079000 C 2.085821000 2.278336000 0.737907000 C 2.454492000 0.115418000 1.883575000 C 1.681908000 -2.088744000 1.779662000 C 0.513219000 -2.909379000 1.732517000 C 0.074819000 -3.455784000 0.474265000 C 0.800061000 -3.176440000 -0.699374000 C 0.097955000 -2.871012000 -1.917684000 C 0.849637000 -1.856239000 -2.617836000 C 0.176944000 -0.850583000 -3.330747000 C 0.656163000 0.508543000 -3.263019000 C 0.685805000 2.872865000 -1.668953000 C -0.479543000 2.542032000 -2.460911000 C -0.489063000 1.373841000 -3.252563000 C -1.685582000 0.544283000 -3.324637000 C -1.275227000 -0.820340000 -3.375473000 C -2.020768000 -1.817566000 -2.679254000 C -1.326001000 -2.846468000 -1.942442000 C -2.073898000 -3.135395000 -0.749110000 C -1.387987000 -3.442245000 0.459399000 C 1.692245000 -0.898625000 2.592722000 C -2.962770000 -0.843311000 2.511986000 C -1.802174000 -0.508973000 3.294934000 C -1.341010000 0.842744000 3.357534000 C -2.021009000 1.861544000 2.640873000 C -3.188043000 1.535326000 1.844547000 C -4.134152000 -0.348716000 0.531713000 C -3.695529000 -1.721409000 0.475307000 C -2.974882000 -2.020610000 1.714615000 C -1.832206000 -2.882923000 1.687844000 C -0.653756000 -2.546357000 2.484853000 C -0.645778000 -1.375542000 3.276725000 C 0.119002000 0.823880000 3.380784000 C 0.850379000 1.812786000 2.682922000 C 0.153313000 2.844659000 1.960052000 C -1.271787000 2.870564000 1.937379000 C -1.970499000 3.186053000 0.719430000 C -3.160718000 2.352631000 0.659335000 C -3.589776000 1.814986000 -0.568482000 C -4.086664000 0.451720000 -0.641246000 C -3.243499000 -2.269087000 -0.731692000 C -3.206146000 -1.452141000 -1.930223000 C -3.620747000 -0.112771000 -1.878604000 C -2.843798000 0.912102000 -2.581931000 C -2.832860000 2.091806000 -1.774620000 C -1.660282000 2.913610000 -1.709410000 C -1.237257000 3.464585000 -0.462430000 C 0.224270000 3.433839000 -0.432631000 C 0.900845000 3.125750000 0.756564000 C 0.543416000 -0.545703000 3.338913000 C 2.051830000 1.465892000 1.945524000 C -3.657124000 0.199371000 1.776956000 C 4.795780000 0.494375000 -0.812440000 C 6.455723000 0.051434000 0.889495000 C 6.353723000 -1.069195000 0.075698000 C 5.437924000 -0.864423000 -0.948533000 H 5.164969000 -1.578574000 -1.716109000 H 6.917949000 -1.985778000 0.218292000 H 4.908434000 1.092226000 -1.726329000 H 7.098874000 0.151341000 1.756037000 C 5.552277000 1.145896000 0.386144000 H 6.125277000 2.023892000 0.056666000 H 4.866035000 1.508481000 1.161502000 TS[5,6] E=-2480.368118 G=-2479.95751 C -3.274052000 0.011430000 -0.796207000 C -3.121771000 -0.478640000 0.687309000 C -2.586188000 0.413296000 1.672062000 C -2.224876000 1.788513000 1.375054000 C -2.233090000 2.238600000 0.044296000 C -2.612492000 1.350716000 -1.021797000 C -2.500383000 -1.068139000 -1.569797000 C -2.153167000 -2.141287000 -0.710279000 C -2.470485000 -1.791480000 0.646376000 C -1.615398000 -2.253369000 1.687990000 C -1.705709000 -0.041419000 2.722874000 C -1.137252000 2.170363000 2.249999000 C -0.098436000 3.014159000 1.786444000 C -0.111142000 3.480431000 0.431796000 C -1.163469000 3.092050000 -0.432996000 C -0.873094000 2.709328000 -1.790750000 C -1.758728000 1.627701000 -2.143086000 C -1.301852000 0.584219000 -2.987701000 C -1.657823000 -0.773895000 -2.665125000 C -1.047457000 -2.994548000 -1.001992000 C -0.210257000 -2.707238000 -2.135751000 C -0.508331000 -1.606942000 -2.954010000 C 0.560701000 -0.759775000 -3.441488000 C 0.078568000 0.591933000 -3.453298000 C 0.946797000 1.647884000 -3.105254000 C 0.472744000 2.724070000 -2.265331000 C 1.540155000 3.107147000 -1.390162000 C 1.262375000 3.481399000 -0.050591000 C -0.822183000 1.039151000 3.085574000 C 3.561952000 1.065273000 1.557341000 C 2.735404000 0.774540000 2.674915000 C 2.385262000 -0.583655000 2.981593000 C 2.853208000 -1.631530000 2.157254000 C 3.707880000 -1.345615000 1.021234000 C 4.055736000 0.454616000 -0.633242000 C 3.541105000 1.818961000 -0.631674000 C 3.265925000 2.198520000 0.719177000 C 2.113649000 3.026823000 1.015462000 C 1.286967000 2.729683000 2.147551000 C 1.585776000 1.615691000 2.974153000 C 1.012900000 -0.592704000 3.461924000 C 0.145055000 -1.652084000 3.114555000 C 0.612833000 -2.712879000 2.276889000 C 1.958099000 -2.711274000 1.793698000 C 2.247193000 -3.097716000 0.447002000 C 3.326974000 -2.241360000 -0.042939000 C 3.310741000 -1.789192000 -1.368276000 C 3.676335000 -0.422628000 -1.671222000 C 2.693606000 2.264960000 -1.688388000 C 2.331088000 1.374262000 -2.745744000 C 2.805494000 0.038349000 -2.735307000 C 1.910121000 -1.042450000 -3.084249000 C 2.222532000 -2.174623000 -2.258788000 C 1.168784000 -3.015194000 -1.777406000 C 1.178913000 -3.472605000 -0.432619000 C -0.192171000 -3.454047000 0.059445000 C -0.470585000 -3.085532000 1.387666000 C 0.529838000 0.768389000 3.449406000 C -1.243248000 -1.373676000 2.753593000 C 4.074802000 -0.008095000 0.726934000 C -4.830970000 0.037968000 -1.151577000 C -5.264073000 -0.685814000 0.982960000 C -5.622831000 0.712465000 0.924768000 C -5.440823000 1.161269000 -0.346683000 H -5.544498000 2.181030000 -0.696655000 H -5.887201000 1.319204000 1.783902000 H -5.383724000 -1.306091000 1.864553000 H -4.973593000 0.085167000 -2.232851000 C -5.394225000 -1.203607000 -0.431655000 H -6.447981000 -1.362855000 -0.697911000 H -4.840730000 -2.123333000 -0.632490000 Prod[5,6] E=-2480.390661 G=-2479.976904 C 3.294578000 -0.239899000 0.810568000 C 3.294546000 -0.235573000 -0.811775000 C 2.608492000 0.953670000 -1.429489000 C 2.222509000 2.134140000 -0.695865000 C 2.222465000 2.130379000 0.707225000 C 2.608394000 0.946021000 1.434579000 C 2.499773000 -1.500859000 1.161250000 C 2.163995000 -2.238683000 -0.005917000 C 2.499801000 -1.494636000 -1.169156000 C 1.651438000 -1.579640000 -2.292944000 C 1.740930000 0.857725000 -2.564163000 C 1.147466000 2.792288000 -1.410726000 C 0.099433000 3.435894000 -0.707353000 C 0.099403000 3.432022000 0.725617000 C 1.147456000 2.784716000 1.425582000 C 0.848245000 1.981379000 2.579374000 C 1.740780000 0.843982000 2.568638000 C 1.284907000 -0.415822000 3.032379000 C 1.651404000 -1.591879000 2.284565000 C 1.062692000 -3.152154000 -0.008359000 C 0.217888000 -3.252785000 1.148282000 C 0.505126000 -2.477514000 2.281038000 C -0.570287000 -1.840712000 3.013442000 C -0.096546000 -0.565393000 3.464123000 C -0.970460000 0.546378000 3.469338000 C -0.497257000 1.837263000 3.023035000 C -1.563776000 2.484227000 2.314889000 C -1.278706000 3.276424000 1.170892000 C 0.848345000 1.995162000 -2.568819000 C -3.550702000 1.511164000 -1.153360000 C -2.709247000 1.599763000 -2.302917000 C -2.346743000 0.415907000 -3.022803000 C -2.814813000 -0.847046000 -2.583650000 C -3.679542000 -0.947252000 -1.425176000 C -4.057192000 0.216319000 0.718379000 C -3.550815000 1.504997000 1.161363000 C -3.268461000 2.306838000 0.006094000 C -2.117311000 3.190205000 0.008432000 C -1.278677000 3.282724000 -1.153541000 C -1.563685000 2.496584000 -2.301711000 C -0.970396000 0.564930000 -3.466507000 C -0.096495000 -0.546852000 -3.466972000 C -0.570221000 -1.824537000 -3.023087000 C -1.918722000 -1.984279000 -2.582702000 C -2.219978000 -2.790953000 -1.438017000 C -3.305029000 -2.141356000 -0.706728000 C -3.305071000 -2.145120000 0.695271000 C -3.679630000 -0.954879000 1.420065000 C -2.709351000 1.587439000 2.311354000 C -2.346810000 0.399729000 3.024889000 C -2.814952000 -0.860863000 2.579130000 C -1.918779000 -1.998067000 2.572084000 C -2.219968000 -2.798589000 1.423103000 C -1.158633000 -3.435090000 0.700026000 C -1.158621000 -3.431269000 -0.718310000 C 0.217901000 -3.246551000 -1.165518000 C 0.505162000 -2.465297000 -2.294160000 C -0.497157000 1.853461000 -3.013346000 C 1.284940000 -0.399606000 -3.034452000 C -4.057105000 0.220142000 -0.717266000 C 4.848940000 -0.335645000 1.127937000 C 4.849052000 -0.329657000 -1.129618000 C 5.452093000 0.987927000 -0.667045000 C 5.452045000 0.984405000 0.672348000 H 5.714762000 1.802787000 1.332829000 H 5.714852000 1.809782000 -1.323182000 H 5.046496000 -0.628079000 -2.160343000 H 5.046480000 -0.639513000 2.157056000 C 5.327541000 -1.269204000 -0.003314000 H 6.413265000 -1.394820000 -0.003585000 H 4.844553000 -2.249409000 -0.005919000 TS[6,6] E=-2480.344554 G=-2479.937325 C -2.558295000 0.032849000 -1.744018000 C -3.253429000 -0.604918000 -0.540151000 C -3.124873000 0.248563000 0.738714000 C -2.578066000 1.615861000 0.634073000 C -2.195261000 2.183563000 -0.593948000 C -2.183363000 1.381962000 -1.791952000 C -1.797804000 -0.935835000 -2.448307000 C -1.730399000 -2.135346000 -1.643819000 C -2.470473000 -1.931115000 -0.443692000 C -1.957559000 -2.441389000 0.764352000 C -2.506705000 -0.307746000 1.925802000 C -1.840694000 1.936261000 1.823589000 C -0.723694000 2.826737000 1.765189000 C -0.333473000 3.406124000 0.506805000 C -1.053610000 3.088193000 -0.659947000 C -0.354517000 2.847477000 -1.894657000 C -1.036145000 1.795348000 -2.589200000 C -0.303554000 0.836034000 -3.323896000 C -0.686333000 -0.554032000 -3.252852000 C -0.550451000 -2.927451000 -1.675965000 C 0.582263000 -2.527346000 -2.486157000 C 0.509123000 -1.349180000 -3.264945000 C 1.646925000 -0.446493000 -3.333888000 C 1.145486000 0.896196000 -3.366454000 C 1.832136000 1.933481000 -2.677193000 C 1.079869000 2.929557000 -1.938939000 C 1.813864000 3.239365000 -0.752758000 C 1.127045000 3.492593000 0.474436000 C -1.756314000 0.736126000 2.598806000 C 2.875488000 0.968480000 2.482469000 C 1.755794000 0.560013000 3.262458000 C 1.380617000 -0.827530000 3.322464000 C 2.132395000 -1.803392000 2.611957000 C 3.273091000 -1.398949000 1.803734000 C 4.053715000 0.562334000 0.491048000 C 3.527289000 1.908829000 0.451267000 C 2.811720000 2.158673000 1.698593000 C 1.619812000 2.948047000 1.690755000 C 0.472864000 2.534310000 2.501219000 C 0.544682000 1.356301000 3.267682000 C -0.059779000 -0.904007000 3.363229000 C -0.741236000 -1.933612000 2.675881000 C 0.015209000 -2.920794000 1.948153000 C 1.442307000 -2.854893000 1.910273000 C 2.144319000 -3.105863000 0.685190000 C 3.285924000 -2.201049000 0.623874000 C 3.659260000 -1.619071000 -0.621506000 C 4.061448000 -0.227503000 -0.688496000 C 3.036289000 2.442488000 -0.754017000 C 3.044597000 1.643952000 -1.950840000 C 3.556395000 0.314134000 -1.916593000 C 2.837336000 -0.746608000 -2.613255000 C 2.913481000 -1.935867000 -1.819763000 C 1.786965000 -2.825363000 -1.749410000 C 1.412504000 -3.413655000 -0.494813000 C -0.038857000 -3.473422000 -0.445539000 C -0.722698000 -3.232934000 0.756425000 C -0.581082000 0.453984000 3.325731000 C -1.973904000 -1.665710000 1.959873000 C 3.638773000 -0.024705000 1.734470000 C -4.813531000 -0.850035000 -0.805038000 C -5.218258000 0.388041000 1.076701000 C -5.599211000 1.200778000 -0.053589000 C -5.422157000 0.474591000 -1.191132000 H -5.531455000 0.825878000 -2.209991000 H -5.864877000 2.250833000 -0.000203000 H -4.953773000 -1.670999000 -1.510248000 H -5.320425000 0.702210000 2.109470000 C -5.368780000 -1.046933000 0.619496000 H -6.425397000 -1.344654000 0.588285000 H -4.810968000 -1.774267000 1.214808000 Prod[6,6] E=-2480.370383 G=-2479.959775 C -2.602027000 1.007535000 -1.440131000 C -3.276517000 -0.202080000 -0.799832000 C -3.276624000 -0.200300000 0.800096000 C -2.602275000 1.010801000 1.437790000 C -2.222178000 2.161932000 0.713617000 C -2.222029000 2.160247000 -0.718539000 C -1.830595000 0.597810000 -2.547973000 C -1.751621000 -0.853069000 -2.542244000 C -2.477357000 -1.341974000 -1.434988000 C -1.969050000 -2.448408000 -0.711151000 C -2.477559000 -1.338766000 1.437919000 C -1.830951000 0.603580000 2.546561000 C -0.718667000 1.368823000 3.007820000 C -0.333397000 2.552207000 2.287890000 C -1.063182000 2.945239000 1.151607000 C -0.378028000 3.449660000 -0.003867000 C -1.063022000 2.942627000 -1.158226000 C -0.333136000 2.546990000 -2.293603000 C -0.718352000 1.362014000 -3.010874000 C -0.563879000 -1.492426000 -3.005575000 C 0.558741000 -0.708251000 -3.448643000 C 0.482589000 0.703571000 -3.451799000 C 1.619443000 1.495502000 -3.020576000 C 1.121081000 2.630454000 -2.307288000 C 1.807157000 3.117890000 -1.159937000 C 1.067521000 3.536739000 -0.003883000 C 1.807019000 3.120583000 1.153119000 C 1.120847000 2.635784000 2.301530000 C -1.751896000 -0.847343000 2.544024000 C 2.894215000 -0.584195000 2.589996000 C 1.773946000 -1.363939000 3.019039000 C 1.402344000 -2.547750000 2.305678000 C 2.139408000 -2.959004000 1.159725000 C 3.286495000 -2.176153000 0.712519000 C 4.054934000 0.195364000 0.709193000 C 3.531127000 1.333167000 1.422931000 C 2.817042000 0.847690000 2.589203000 C 1.619115000 1.502380000 3.017297000 C 0.482205000 0.711390000 3.450240000 C 0.558381000 -0.700452000 3.450247000 C -0.050324000 -2.623032000 2.291821000 C -0.732463000 -3.098415000 1.158390000 C 0.004844000 -3.527259000 0.003920000 C 1.449156000 -3.454268000 0.003909000 C 2.139528000 -2.961601000 -1.153001000 C 3.286622000 -2.177806000 -0.707491000 C 3.657300000 -0.994590000 -1.423218000 C 4.055060000 0.193788000 -0.709368000 C 3.032172000 2.466798000 0.707952000 C 3.032257000 2.465232000 -0.713219000 C 3.531356000 1.329905000 -1.425652000 C 2.817366000 0.841792000 -2.590913000 C 2.894556000 -0.590074000 -2.588512000 C 1.774269000 -1.370797000 -3.015931000 C 1.402598000 -2.552975000 -2.299896000 C -0.050137000 -2.628255000 -2.285984000 C -0.732330000 -3.101019000 -1.151496000 C -0.564185000 -1.485615000 3.008913000 C -1.969146000 -2.446914000 0.716547000 C 3.657049000 -0.991290000 1.425583000 C -4.833803000 -0.306433000 -1.123326000 C -4.833960000 -0.303997000 1.123588000 C -5.460501000 1.000481000 0.668351000 C -5.460446000 0.999017000 -0.670986000 H -5.732178000 1.813629000 -1.332462000 H -5.732286000 1.816527000 1.328034000 H -5.015129000 -0.608631000 -2.155302000 H -5.015417000 -0.603974000 2.156188000 C -5.288887000 -1.255755000 0.001128000 H -6.370290000 -1.415057000 0.001227000 H -4.770004000 -2.219217000 0.002188000 S=5 11C60 E=-2286.141067 G=-2285.829039 C -0.433031000 3.485008000 0.616890000 C 1.008795000 3.351445000 0.603277000 C 1.683247000 3.060684000 -0.616219000 C 0.944304000 2.903399000 -1.835755000 C -0.485659000 3.030176000 -1.830265000 C -1.175140000 3.321689000 -0.597170000 C -0.916706000 2.913285000 1.839576000 C 0.225292000 2.425335000 2.584235000 C 1.415766000 2.714349000 1.828367000 C 2.502458000 1.773728000 1.818610000 C 2.781566000 2.110166000 -0.625992000 C 1.567417000 1.837800000 -2.587954000 C 0.772424000 0.926702000 -3.327422000 C -0.667542000 1.056885000 -3.335108000 C -1.292359000 2.105692000 -2.580508000 C -2.480994000 1.826343000 -1.812051000 C -2.411754000 2.583446000 -0.589155000 C -2.897120000 2.011012000 0.636868000 C -2.145005000 2.176676000 1.854038000 C 0.122877000 1.216467000 3.328841000 C -1.107396000 0.479031000 3.351545000 C -2.243543000 0.954092000 2.613410000 C -3.048912000 0.029751000 1.861429000 C -3.449781000 0.681469000 0.638398000 C -3.518687000 -0.066076000 -0.581663000 C -3.035545000 0.505358000 -1.805097000 C -2.395656000 -0.547688000 -2.565271000 C -1.221169000 -0.266060000 -3.319659000 C 2.718282000 1.366636000 -1.850614000 C 0.916706000 -2.913285000 -1.839576000 C 2.145005000 -2.176676000 -1.854038000 C 2.897120000 -2.011012000 -0.636868000 C 2.411754000 -2.583446000 0.589155000 C 1.175140000 -3.321689000 0.597170000 C -1.008795000 -3.351445000 -0.603277000 C -1.415766000 -2.714349000 -1.828367000 C -0.225292000 -2.425335000 -2.584235000 C -0.122877000 -1.216467000 -3.328841000 C 1.107396000 -0.479031000 -3.351545000 C 2.243543000 -0.954092000 -2.613410000 C 3.449781000 -0.681469000 -0.638398000 C 3.518687000 0.066076000 0.581663000 C 3.035545000 -0.505358000 1.805097000 C 2.480994000 -1.826343000 1.812051000 C 1.292359000 -2.105692000 2.580508000 C 0.485659000 -3.030176000 1.830265000 C -0.944304000 -2.903399000 1.835755000 C -1.683247000 -3.060684000 0.616219000 C -2.502458000 -1.773728000 -1.818610000 C -3.179349000 -1.473638000 -0.584180000 C -2.781566000 -2.110166000 0.625992000 C -2.718282000 -1.366636000 1.850614000 C -1.567417000 -1.837800000 2.587954000 C -0.772424000 -0.926702000 3.327422000 C 0.667542000 -1.056885000 3.335108000 C 1.221169000 0.266060000 3.319659000 C 2.395656000 0.547688000 2.565271000 C 3.048912000 -0.029751000 -1.861429000 C 3.179349000 1.473638000 0.584180000 C 0.433031000 -3.485008000 -0.616890000 Pre-reactants E=-2480.270893 G=-2479.873677 C -2.367155000 1.166355000 -1.643477000 C -2.904060000 0.703452000 -0.384311000 C -2.591173000 1.411200000 0.830226000 C -1.744037000 2.574945000 0.783903000 C -1.220034000 3.026672000 -0.463451000 C -1.530207000 2.326567000 -1.677137000 C -2.034157000 0.011435000 -2.438491000 C -2.355062000 -1.162927000 -1.667197000 C -2.895510000 -0.731101000 -0.398473000 C -2.575167000 -1.459282000 0.800194000 C -2.272577000 0.678708000 2.029938000 C -0.910976000 2.574498000 1.961238000 C 0.448521000 3.026128000 1.874560000 C 0.976073000 3.472665000 0.616178000 C 0.157991000 3.479143000 -0.545329000 C 0.692756000 3.064184000 -1.810648000 C -0.341107000 2.330711000 -2.501436000 C -0.012193000 1.191161000 -3.278821000 C -0.858015000 0.026107000 -3.260242000 C -1.505233000 -2.313412000 -1.724427000 C -0.316007000 -2.287788000 -2.547815000 C 0.001086000 -1.129846000 -3.301939000 C 1.375383000 -0.677204000 -3.393073000 C 1.367498000 0.754339000 -3.377189000 C 2.393706000 1.475687000 -2.688975000 C 2.061043000 2.631779000 -1.906069000 C 2.892330000 2.620369000 -0.729923000 C 2.362284000 3.038884000 0.523833000 C -1.231540000 1.398083000 2.727122000 C 3.212727000 -0.010981000 2.423831000 C 2.034328000 -0.025844000 3.251675000 C 1.190481000 -1.190066000 3.275465000 C 1.516595000 -2.331918000 2.498103000 C 2.705489000 -2.331064000 1.668693000 C 4.086353000 -0.709977000 0.377043000 C 4.077622000 0.737399000 0.391724000 C 3.533886000 1.162824000 1.654688000 C 2.680384000 2.317891000 1.716224000 C 1.491676000 2.289186000 2.544645000 C 1.177371000 1.129589000 3.298804000 C -0.189794000 -0.754428000 3.383543000 C -1.215122000 -1.470994000 2.696644000 C -0.882782000 -2.628876000 1.908011000 C 0.481722000 -3.064903000 1.812841000 C 1.014128000 -3.480638000 0.545642000 C 2.395954000 -3.031925000 0.462665000 C 2.921889000 -2.581540000 -0.782742000 C 3.777796000 -1.412497000 -0.827482000 C 3.761212000 1.461111000 -0.798671000 C 3.445907000 0.752950000 -2.002105000 C 3.453604000 -0.682391000 -2.017001000 C 2.410312000 -1.401968000 -2.718812000 C 2.089513000 -2.576389000 -1.958743000 C 0.725964000 -3.025158000 -1.872079000 C 0.195999000 -3.471262000 -0.616103000 C -1.186786000 -3.033656000 -0.525051000 C -1.715023000 -2.613060000 0.730394000 C -0.197685000 0.678137000 3.399548000 C -2.264902000 -0.748573000 2.014831000 C 3.546417000 -1.166166000 1.630428000 C -5.879349000 1.165364000 -0.319708000 C -5.896802000 -1.186034000 -0.242559000 C -5.846304000 -0.697237000 1.022236000 C -5.836024000 0.759113000 0.974704000 H -5.779262000 1.402637000 1.845103000 H -5.797441000 -1.283156000 1.932894000 H -5.882329000 2.187432000 -0.677882000 H -5.914130000 -2.229137000 -0.533460000 C -5.969759000 -0.040170000 -1.214377000 H -6.920596000 -0.050934000 -1.770358000 H -5.174954000 -0.071033000 -1.970609000 TSbir[5,6] E=-2480.269605 G=-2479.869766 C 2.450493000 -1.520499000 -1.167104000 C 3.001858000 -0.716852000 -0.078538000 C 2.598096000 -1.048207000 1.283689000 C 1.772990000 -2.195311000 1.544919000 C 1.298311000 -2.997557000 0.463975000 C 1.636304000 -2.660152000 -0.891309000 C 2.112013000 -0.646222000 -2.248954000 C 2.393514000 0.711205000 -1.834761000 C 2.904557000 0.671951000 -0.495501000 C 2.542487000 1.693084000 0.431667000 C 2.226345000 -0.010909000 2.211271000 C 0.897536000 -1.876783000 2.646885000 C -0.447188000 -2.362268000 2.654995000 C -0.927084000 -3.162748000 1.564406000 C -0.072132000 -3.480783000 0.476783000 C -0.573195000 -3.454499000 -0.867384000 C 0.470572000 -2.923701000 -1.710594000 C 0.147489000 -2.062091000 -2.786300000 C 0.971384000 -0.918241000 -3.070201000 C 1.533258000 1.780330000 -2.250616000 C 0.372847000 1.491393000 -3.058430000 C 0.095949000 0.160806000 -3.460410000 C -1.265419000 -0.331567000 -3.461622000 C -1.236941000 -1.698820000 -3.037768000 C -2.269615000 -2.218363000 -2.202919000 C -1.945645000 -3.098493000 -1.117264000 C -2.810676000 -2.769643000 -0.016296000 C -2.315053000 -2.799687000 1.314783000 C 1.178033000 -0.524419000 3.058847000 C -3.275123000 0.638590000 2.249701000 C -2.122859000 0.918699000 3.067530000 C -1.301536000 2.059887000 2.784841000 C -1.620113000 2.930996000 1.706111000 C -2.784506000 2.667854000 0.879378000 C -4.105826000 0.717083000 0.067404000 C -4.063957000 -0.667115000 0.493942000 C -3.555464000 -0.706379000 1.841602000 C -2.684449000 -1.778967000 2.248891000 C -1.524549000 -1.488786000 3.062856000 C -1.249817000 -0.159325000 3.466632000 C 0.083131000 1.700161000 3.043051000 C 1.114030000 2.210447000 2.206125000 C 0.792741000 3.094254000 1.116850000 C -0.577285000 3.460670000 0.868707000 C -1.076832000 3.492867000 -0.476389000 C -2.452429000 3.008272000 -0.463615000 C -2.930102000 2.206269000 -1.538675000 C -3.767108000 1.052974000 -1.270222000 C -3.696642000 -1.694853000 -0.436801000 C -3.359107000 -1.352730000 -1.776088000 C -3.385560000 0.017081000 -2.195806000 C -2.334471000 0.531999000 -3.044349000 C -2.054856000 1.880522000 -2.638344000 C -0.703083000 2.370214000 -2.648350000 C -0.222637000 3.170477000 -1.565988000 C 1.165668000 2.801921000 -1.314770000 C 1.658268000 2.761830000 0.014151000 C 0.112194000 0.331703000 3.472111000 C 2.200964000 1.350296000 1.789886000 C -3.606751000 1.517569000 1.150064000 C 5.396032000 -1.169394000 -0.033789000 C 6.004289000 1.037483000 -0.551987000 C 5.976876000 0.890263000 0.805123000 C 5.652423000 -0.472188000 1.132132000 H 5.558434000 -0.866992000 2.136367000 H 6.152533000 1.673770000 1.533164000 H 5.230084000 -2.236233000 -0.108524000 H 6.212205000 1.950115000 -1.096908000 C 5.752913000 -0.293118000 -1.206023000 H 6.676740000 -0.667834000 -1.678286000 H 4.996674000 -0.263692000 -1.998648000 Proint[5,6] E=-2480.306458 G=-2479.902786 C -3.262913000 -0.480884000 -0.409595000 C -2.926178000 0.467845000 0.763751000 C -2.465849000 1.798136000 0.571495000 C -2.091355000 2.270447000 -0.729663000 C -2.129533000 1.372041000 -1.833258000 C -2.575937000 0.017987000 -1.662776000 C -2.568987000 -1.778503000 0.064720000 C -2.197372000 -1.651446000 1.422192000 C -2.417017000 -0.277655000 1.849388000 C -1.542072000 0.303390000 2.814083000 C -1.544814000 2.398225000 1.526172000 C -0.942702000 3.157251000 -0.576484000 C 0.094896000 3.156640000 -1.541098000 C 0.033178000 2.263726000 -2.665582000 C -1.071410000 1.379819000 -2.809571000 C -0.853910000 0.016713000 -3.233233000 C -1.779720000 -0.819374000 -2.514098000 C -1.390430000 -2.123428000 -2.096704000 C -1.766895000 -2.581435000 -0.791119000 C -1.112271000 -2.391200000 1.975140000 C -0.317749000 -3.231392000 1.114243000 C -0.632440000 -3.316465000 -0.252262000 C 0.423658000 -3.338246000 -1.237690000 C -0.027642000 -2.575404000 -2.360729000 C 0.877415000 -1.744399000 -3.067171000 C 0.464792000 -0.439933000 -3.507259000 C 1.587509000 0.457885000 -3.351851000 C 1.374170000 1.794769000 -2.935659000 C -0.630124000 3.261479000 0.816510000 C 3.709605000 1.751352000 -0.054651000 C 2.920662000 2.589595000 0.810820000 C 2.547832000 2.126522000 2.104860000 C 2.947825000 0.831089000 2.535843000 C 3.749554000 -0.010558000 1.674133000 C 4.060421000 -0.442431000 -0.737375000 C 3.597807000 0.312964000 -1.880049000 C 3.382090000 1.662937000 -1.459795000 C 2.270103000 2.412413000 -1.984396000 C 1.485918000 3.240674000 -1.117329000 C 1.797809000 3.333919000 0.266468000 C 1.193665000 2.594386000 2.377345000 C 0.281964000 1.755495000 3.083100000 C 0.688171000 0.453620000 3.512164000 C 2.012235000 -0.013427000 3.246452000 C 2.229121000 -1.372737000 2.824031000 C 3.300007000 -1.373581000 1.850307000 C 3.248016000 -2.261347000 0.739575000 C 3.622553000 -1.801186000 -0.555573000 C 2.702917000 -0.298193000 -2.827861000 C 2.266721000 -1.649333000 -2.639224000 C 2.714264000 -2.401235000 -1.518435000 C 1.799071000 -3.254897000 -0.811201000 C 2.112627000 -3.162887000 0.585490000 C 1.065643000 -3.156360000 1.553533000 C 1.121125000 -2.261543000 2.667159000 C -0.222949000 -1.782163000 2.928018000 C -0.435990000 -0.448126000 3.343414000 C 0.744406000 3.351001000 1.244599000 C -1.099097000 1.663565000 2.637496000 C 4.139947000 0.450436000 0.391391000 C -4.809313000 -0.652320000 -0.653972000 C -6.473431000 0.076798000 0.940062000 C -6.362783000 1.044996000 -0.049418000 C -5.452475000 0.661987000 -1.025816000 H -5.179570000 1.232151000 -1.905228000 H -6.918561000 1.977550000 -0.062743000 H -7.118982000 0.126805000 1.809189000 H -4.898469000 -1.392088000 -1.459933000 C -5.592520000 -1.100788000 0.617416000 H -6.188544000 -2.000915000 0.409345000 H -4.926760000 -1.366851000 1.446527000 Proint[6,6] E=-2480.306886 G=-2479.90317 C -2.542281000 1.132398000 -1.417488000 C -3.254388000 -0.024623000 -0.680125000 C -2.910782000 0.037290000 0.792477000 C -2.428040000 1.226031000 1.439654000 C -2.026240000 2.360171000 0.678706000 C -2.063079000 2.292516000 -0.752916000 C -1.815642000 0.623547000 -2.516100000 C -1.818908000 -0.829750000 -2.456352000 C -2.550232000 -1.242941000 -1.320047000 C -2.069389000 -2.340841000 -0.558227000 C -2.430388000 -1.091849000 1.537554000 C -1.675626000 0.836180000 2.602962000 C -0.513589000 1.561517000 2.986427000 C -0.086015000 2.693480000 2.210807000 C -0.820192000 3.085726000 1.064593000 C -0.133856000 3.495592000 -0.123054000 C -0.878388000 2.979463000 -1.247370000 C -0.200946000 2.495049000 -2.378704000 C -0.673794000 1.301433000 -3.035002000 C -0.677699000 -1.551093000 -2.914556000 C 0.477431000 -0.851910000 -3.411073000 C 0.479458000 0.560326000 -3.470911000 C 1.667170000 1.306518000 -3.099274000 C 1.251821000 2.499456000 -2.430487000 C 1.993946000 2.994521000 -1.318790000 C 1.308326000 3.494910000 -0.162456000 C 2.052803000 3.081220000 0.995523000 C 1.370200000 2.684664000 2.177822000 C -1.677376000 -0.606662000 2.664719000 C 2.984138000 -0.610659000 2.569664000 C 1.825190000 -1.309443000 3.060338000 C 1.363214000 -2.492418000 2.398136000 C 2.044690000 -2.990577000 1.253881000 C 3.220009000 -2.300156000 0.749609000 C 4.132172000 0.021354000 0.631902000 C 3.688920000 1.213590000 1.309363000 C 2.985682000 0.818486000 2.508816000 C 1.828735000 1.560029000 2.938073000 C 0.666824000 0.854206000 3.429496000 C 0.664954000 -0.561089000 3.489895000 C -0.093014000 -2.494067000 2.430795000 C -0.827887000 -2.981284000 1.321616000 C -0.142882000 -3.490670000 0.173100000 C 1.299280000 -3.498441000 0.134231000 C 1.986352000 -3.099018000 -1.059996000 C 3.180984000 -2.358148000 -0.672996000 C 3.595209000 -1.233829000 -1.440596000 C 4.075024000 -0.038605000 -0.783535000 C 3.226138000 2.347247000 0.551657000 C 3.187534000 2.285575000 -0.870414000 C 3.598080000 1.099170000 -1.540046000 C 2.833500000 0.604417000 -2.664313000 C 2.831294000 -0.833629000 -2.603267000 C 1.663160000 -1.566881000 -2.977272000 C 1.245026000 -2.698595000 -2.210636000 C -0.207711000 -2.686194000 -2.159684000 C -0.886656000 -3.069777000 -0.991187000 C -0.517640000 -1.300099000 3.108130000 C -2.032185000 -2.287812000 0.875062000 C 3.685924000 -1.108364000 1.407999000 C -4.804323000 -0.012291000 -0.935390000 C -6.447221000 -0.577157000 0.747302000 C -6.362359000 0.806411000 0.665708000 C -5.456602000 1.197667000 -0.312228000 H -5.194024000 2.215961000 -0.572510000 H -6.931210000 1.494519000 1.283532000 H -4.925479000 -0.025454000 -2.026432000 H -7.080321000 -1.136418000 1.426223000 C -5.540578000 -1.216375000 -0.271097000 H -6.109892000 -1.787824000 -1.017501000 H -4.842761000 -1.930255000 0.184107000 TS[5,6] E=-2480.283584 G=-2479.876129 C 3.268436000 -0.778315000 -0.209095000 C 3.116113000 0.787438000 -0.292749000 C 2.585983000 1.508128000 0.834474000 C 2.238505000 0.863979000 2.081293000 C 2.244163000 -0.553208000 2.164445000 C 2.615165000 -1.348241000 1.025491000 C 2.495185000 -1.244058000 -1.449229000 C 2.132052000 -0.127344000 -2.248551000 C 2.457596000 1.092645000 -1.563868000 C 1.598348000 2.226399000 -1.725973000 C 1.713741000 2.653462000 0.679162000 C 1.153522000 1.604366000 2.672465000 C 0.112042000 0.931304000 3.361931000 C 0.124736000 -0.497447000 3.454128000 C 1.180315000 -1.233838000 2.855132000 C 0.898513000 -2.460549000 2.139212000 C 1.773727000 -2.513478000 1.007740000 C 1.317241000 -3.066839000 -0.232385000 C 1.651376000 -2.386844000 -1.444335000 C 1.020628000 -0.185397000 -3.134511000 C 0.186305000 -1.360742000 -3.157105000 C 0.493206000 -2.449417000 -2.320224000 C -0.562258000 -3.161472000 -1.641828000 C -0.073750000 -3.510129000 -0.340999000 C -0.935607000 -3.445852000 0.774519000 C -0.457752000 -2.925503000 2.034748000 C -1.522122000 -2.163926000 2.622167000 C -1.245231000 -0.963551000 3.336509000 C 0.848881000 2.729722000 1.814191000 C -3.553916000 1.237720000 1.440926000 C -2.728301000 2.406830000 1.455474000 C -2.389556000 3.061101000 0.233559000 C -2.864930000 2.540825000 -1.000558000 C -3.707668000 1.358252000 -1.013772000 C -4.026742000 -0.736956000 0.294991000 C -3.524789000 -1.093106000 1.592365000 C -3.241280000 0.118325000 2.309590000 C -2.095619000 0.185968000 3.183956000 C -1.269968000 1.355839000 3.190104000 C -1.568942000 2.459564000 2.333171000 C -1.008923000 3.514696000 0.345127000 C -0.148383000 3.454394000 -0.774536000 C -0.624606000 2.935418000 -2.017845000 C -1.979229000 2.469575000 -2.135048000 C -2.264593000 1.251964000 -2.844551000 C -3.334128000 0.566124000 -2.153701000 C -3.322361000 -0.882859000 -2.066661000 C -3.667462000 -1.523447000 -0.847434000 C -2.676762000 -2.237658000 1.744950000 C -2.319524000 -3.029557000 0.607101000 C -2.804775000 -2.684600000 -0.683753000 C -1.926138000 -2.746756000 -1.817837000 C -2.235151000 -1.632185000 -2.673083000 C -1.184424000 -0.937958000 -3.343668000 C -1.196786000 0.498110000 -3.432424000 C 0.161602000 0.964142000 -3.296069000 C 0.447009000 2.157713000 -2.600669000 C -0.521011000 3.158409000 1.655002000 C 1.247156000 3.036880000 -0.608516000 C -4.055197000 0.723148000 0.204569000 C 4.832094000 -1.113696000 -0.284349000 C 5.210134000 1.141567000 -0.436327000 C 5.602013000 0.731519000 0.895243000 C 5.446687000 -0.615795000 1.000478000 H 5.572048000 -1.215052000 1.894070000 H 5.863101000 1.409739000 1.700009000 H 5.311572000 2.155200000 -0.809078000 H 4.984497000 -2.168869000 -0.517893000 C 5.369835000 -0.088624000 -1.302753000 H 6.428487000 -0.278598000 -1.523998000 H 4.813749000 -0.059500000 -2.241923000 Prod[5,6] E=-2480.303788 G=-2479.892930 C -3.277847000 0.811988000 -0.259336000 C -3.277859000 -0.811968000 -0.259344000 C -2.609382000 -1.436760000 0.933980000 C -2.244777000 -0.708727000 2.122254000 C -2.244772000 0.708713000 2.122262000 C -2.609369000 1.436760000 0.933994000 C -2.472448000 1.168147000 -1.508860000 C -2.125888000 0.000021000 -2.241493000 C -2.472447000 -1.168110000 -1.508868000 C -1.627954000 -2.300779000 -1.587612000 C -1.754550000 -2.587060000 0.847529000 C -1.176717000 -1.419753000 2.772719000 C -0.128999000 -0.715351000 3.423720000 C -0.128996000 0.715312000 3.423728000 C -1.176709000 1.419726000 2.772735000 C -0.881878000 2.597639000 1.981428000 C -1.754535000 2.587059000 0.847558000 C -1.292781000 3.066644000 -0.422360000 C -1.627946000 2.300811000 -1.587588000 C -1.014337000 0.000023000 -3.138318000 C -0.172831000 1.164524000 -3.238529000 C -0.472495000 2.304702000 -2.467990000 C 0.585354000 3.049406000 -1.833864000 C 0.097886000 3.486516000 -0.557358000 C 0.962718000 3.489280000 0.560318000 C 0.479099000 3.043367000 1.850741000 C 1.534079000 2.322154000 2.488706000 C 1.246479000 1.162807000 3.283747000 C -0.881892000 -2.597657000 1.981398000 C 3.519987000 -1.169756000 1.519578000 C 2.687241000 -2.329409000 1.605244000 C 2.342170000 -3.056410000 0.421762000 C 2.826514000 -2.621338000 -0.843332000 C 3.677233000 -1.448036000 -0.929859000 C 4.022458000 0.735539000 0.253506000 C 3.519993000 1.169722000 1.519592000 C 3.224856000 -0.000021000 2.316210000 C 2.079799000 -0.000023000 3.197749000 C 1.246473000 -1.162851000 3.283734000 C 1.534067000 -2.322189000 2.488678000 C 0.962701000 -3.489290000 0.560276000 C 0.097868000 -3.486508000 -0.557400000 C 0.585339000 -3.049386000 -1.833900000 C 1.945141000 -2.612719000 -1.980619000 C 2.247880000 -1.447492000 -2.766348000 C 3.323998000 -0.729829000 -2.113121000 C 3.324002000 0.729839000 -2.113111000 C 3.677241000 1.448030000 -0.929842000 C 2.687253000 2.329379000 1.605272000 C 2.342185000 3.056395000 0.421799000 C 2.826527000 2.621336000 -0.843301000 C 1.945154000 2.612734000 -1.980587000 C 2.247887000 1.447516000 -2.766330000 C 1.191863000 0.721184000 -3.401563000 C 1.191859000 -0.721147000 -3.401572000 C -0.172837000 -1.164482000 -3.238542000 C -0.472506000 -2.304667000 -2.468016000 C 0.479084000 -3.043390000 1.850704000 C -1.292796000 -3.066631000 -0.422395000 C 4.022455000 -0.735561000 0.253497000 C -4.834065000 1.128870000 -0.372075000 C -4.834081000 -1.128850000 -0.372120000 C -5.451544000 -0.669849000 0.939024000 C -5.451440000 0.669822000 0.939094000 H -5.721800000 1.328129000 1.756674000 H -5.721981000 -1.328196000 1.756545000 H -5.026310000 -2.159067000 -0.675230000 H -5.026291000 2.159102000 -0.675135000 C -5.300326000 0.000028000 -1.314073000 H -6.384653000 0.000035000 -1.451691000 H -4.806004000 0.000036000 -2.288616000 TS[6,6] E=-2480.260792 G=-2479.856169 C -2.601530000 0.859912000 -1.543991000 C -3.258841000 -0.275480000 -0.748774000 C -3.106214000 -0.107242000 0.781174000 C -2.546314000 1.148753000 1.312252000 C -2.172911000 2.226731000 0.479572000 C -2.198257000 2.100318000 -0.945957000 C -1.825452000 0.325597000 -2.587479000 C -1.757203000 -1.118489000 -2.438844000 C -2.474700000 -1.487144000 -1.279416000 C -1.964327000 -2.514690000 -0.447455000 C -2.482396000 -1.158471000 1.575480000 C -1.800265000 0.876797000 2.507868000 C -0.682863000 1.687731000 2.869011000 C -0.293779000 2.784832000 2.020572000 C -1.024601000 3.056879000 0.840325000 C -0.347166000 3.428873000 -0.365594000 C -1.046579000 2.813657000 -1.462356000 C -0.319412000 2.304425000 -2.568653000 C -0.715636000 1.030483000 -3.146468000 C -0.573797000 -1.809243000 -2.843308000 C 0.547891000 -1.089419000 -3.391685000 C 0.470462000 0.327695000 -3.524223000 C 1.609422000 1.158250000 -3.180345000 C 1.119940000 2.374215000 -2.594850000 C 1.828635000 2.978231000 -1.508456000 C 1.092043000 3.507423000 -0.383204000 C 1.836262000 3.212272000 0.809102000 C 1.153218000 2.870687000 2.026681000 C -1.721630000 -0.546439000 2.644859000 C 2.906049000 -0.312773000 2.654022000 C 1.779486000 -1.030413000 3.165665000 C 1.387113000 -2.284301000 2.563665000 C 2.133410000 -2.817094000 1.472159000 C 3.263789000 -2.092732000 0.947335000 C 4.034382000 0.254922000 0.693896000 C 3.545989000 1.459083000 1.279291000 C 2.839091000 1.109812000 2.501014000 C 1.650496000 1.811234000 2.859782000 C 0.514048000 1.086707000 3.398229000 C 0.579705000 -0.321291000 3.531579000 C -0.045864000 -2.378346000 2.586754000 C -0.743201000 -2.966745000 1.477989000 C -0.000996000 -3.504385000 0.375054000 C 1.433957000 -3.429794000 0.360730000 C 2.123375000 -3.074933000 -0.842256000 C 3.259554000 -2.250070000 -0.486235000 C 3.625370000 -1.159862000 -1.324403000 C 4.012294000 0.097056000 -0.742415000 C 3.036558000 2.514213000 0.434396000 C 3.029907000 2.360722000 -1.003187000 C 3.517808000 1.163225000 -1.589036000 C 2.799136000 0.553755000 -2.681064000 C 2.873770000 -0.880905000 -2.527666000 C 1.755595000 -1.697112000 -2.878004000 C 1.388083000 -2.805293000 -2.043831000 C -0.059304000 -2.863937000 -2.009285000 C -0.739868000 -3.210851000 -0.825873000 C -0.551355000 -1.142416000 3.162351000 C -1.960452000 -2.376758000 0.974965000 C 3.656650000 -0.846092000 1.536882000 C -4.827450000 -0.405768000 -1.055190000 C -5.145340000 -0.146696000 1.190930000 C -5.571379000 1.082666000 0.560037000 C -5.443459000 0.942473000 -0.787442000 H -5.589293000 1.709939000 -1.537917000 H -5.826108000 1.994617000 1.088490000 H -4.987693000 -0.821749000 -2.050900000 H -5.218424000 -0.329781000 2.257475000 C -5.336205000 -1.226511000 0.144492000 H -6.398078000 -1.478761000 0.026559000 H -4.768864000 -2.141890000 0.329283000 Prod[6,6] E=-2480.282913 G=-2479.874139 C 2.587607000 -1.006643000 -1.443163000 C 3.253953000 0.204226000 -0.799495000 C 3.254001000 0.202293000 0.799675000 C 2.587887000 -1.010064000 1.440528000 C 2.211635000 -2.173125000 0.714898000 C 2.211378000 -2.171014000 -0.720404000 C 1.818439000 -0.597189000 -2.548247000 C 1.737918000 0.853846000 -2.543519000 C 2.458037000 1.343138000 -1.436854000 C 1.952560000 2.459904000 -0.714263000 C 2.457925000 1.339640000 1.439513000 C 1.818511000 -0.603330000 2.546414000 C 0.709564000 -1.370303000 3.020670000 C 0.325929000 -2.564000000 2.304262000 C 1.065172000 -2.956793000 1.154624000 C 0.377899000 -3.449710000 -0.004354000 C 1.064647000 -2.953813000 -1.161918000 C 0.325759000 -2.558391000 -2.310572000 C 0.709015000 -1.363229000 -3.023863000 C 0.551228000 1.493295000 -3.018684000 C -0.560100000 0.717474000 -3.492328000 C -0.481336000 -0.713814000 -3.495091000 C -1.608927000 -1.497406000 -3.050040000 C -1.110041000 -2.646175000 -2.333079000 C -1.806092000 -3.123374000 -1.169358000 C -1.063625000 -3.530129000 -0.004394000 C -1.806197000 -3.126322000 1.162088000 C -1.109330000 -2.651615000 2.326677000 C 1.738396000 0.847998000 2.545703000 C -2.878985000 0.586434000 2.613780000 C -1.767152000 1.363229000 3.049674000 C -1.398688000 2.560366000 2.332146000 C -2.144599000 2.957994000 1.168887000 C -3.264552000 2.174225000 0.728821000 C -3.996839000 -0.195761000 0.730355000 C -3.505672000 -1.337172000 1.445696000 C -2.799351000 -0.854376000 2.611966000 C -1.608396000 -1.504450000 3.046824000 C -0.480801000 -0.721988000 3.493232000 C -0.559686000 0.709294000 3.494513000 C 0.037156000 2.632309000 2.309720000 C 0.727349000 3.108871000 1.162085000 C -0.010567000 3.525436000 0.004012000 C -1.451658000 3.444236000 0.004021000 C -2.144768000 2.961042000 -1.162067000 C -3.264806000 2.175923000 -0.723594000 C -3.635007000 0.994399000 -1.445852000 C -3.997219000 -0.194091000 -0.730183000 C -3.005229000 -2.469798000 0.723306000 C -3.005592000 -2.468056000 -0.728696000 C -3.505716000 -1.333633000 -1.448139000 C -2.800032000 -0.848181000 -2.613499000 C -2.879574000 0.592749000 -2.611847000 C -1.767637000 1.370643000 -3.046127000 C -1.399010000 2.565838000 -2.325779000 C 0.036901000 2.638110000 -2.303850000 C 0.727177000 3.111675000 -1.154737000 C 0.551679000 1.486125000 3.022125000 C 1.952774000 2.458070000 0.719737000 C -3.634801000 0.990727000 1.448539000 C 4.814282000 0.313872000 -1.123146000 C 4.814234000 0.311411000 1.123609000 C 5.445352000 -0.989776000 0.668581000 C 5.444881000 -0.988510000 -0.671000000 H 5.718168000 -1.802688000 -1.332369000 H 5.718937000 -1.805252000 1.328217000 H 4.992435000 0.616413000 -2.155414000 H 4.992320000 0.611635000 2.156559000 C 5.264476000 1.265072000 0.001303000 H 6.345474000 1.427512000 0.001503000 H 4.742251000 2.226597000 0.002435000 S=6 13C60 E=-2286.034540 G=-2285.727302 C 2.752119000 -1.236341000 -0.133928000 C 2.612438000 -0.641947000 -1.438815000 C 2.515466000 0.786956000 -1.570049000 C 2.562233000 1.623408000 -0.397765000 C 2.686966000 1.033901000 0.892206000 C 2.779065000 -0.411431000 1.024645000 C 1.974130000 -2.465573000 -0.115636000 C 1.365478000 -2.627879000 -1.402800000 C 1.740559000 -1.488789000 -2.213828000 C 0.809104000 -0.924381000 -3.120517000 C 1.564773000 1.360303000 -2.482319000 C 1.644668000 2.728762000 -0.595938000 C 0.877042000 3.226980000 0.506572000 C 1.018983000 2.628971000 1.811329000 C 1.928070000 1.534359000 1.998311000 C 1.530127000 0.400507000 2.805109000 C 2.080487000 -0.797310000 2.216191000 C 1.323125000 -2.016289000 2.241315000 C 1.270412000 -2.849118000 1.063808000 C 0.044064000 -3.172513000 -1.512943000 C -0.673292000 -3.562672000 -0.324625000 C -0.060537000 -3.401766000 0.963758000 C -0.830418000 -2.897634000 2.066849000 C 0.024374000 -2.040236000 2.856689000 C -0.511364000 -0.854248000 3.452146000 C 0.253677000 0.375008000 3.420507000 C -0.661061000 1.475904000 3.243174000 C -0.277986000 2.599443000 2.432551000 C 1.029357000 2.563995000 -1.880915000 C -3.155532000 2.464339000 0.115747000 C -2.449404000 2.850405000 -1.068596000 C -2.499333000 2.015516000 -2.243691000 C -3.257578000 0.796360000 -2.222281000 C -3.962898000 0.408165000 -1.030797000 C -3.785802000 0.642457000 1.439473000 C -2.921940000 1.493266000 2.218777000 C -2.544750000 2.626988000 1.404356000 C -1.224284000 3.175572000 1.510553000 C -0.511044000 3.567838000 0.322954000 C -1.124031000 3.405304000 -0.966392000 C -1.200094000 2.043356000 -2.860552000 C -0.661583000 0.855798000 -3.455249000 C -1.425524000 -0.374364000 -3.424243000 C -2.710165000 -0.400215000 -2.814793000 C -3.104997000 -1.529843000 -2.005836000 C -3.871845000 -1.027561000 -0.899126000 C -3.733567000 -1.617247000 0.397400000 C -3.693558000 -0.782078000 1.572954000 C -1.983313000 0.924349000 3.127985000 C -1.892860000 -0.513051000 3.267811000 C -2.743511000 -1.358029000 2.487160000 C -2.209644000 -2.557505000 1.883882000 C -2.826573000 -2.719422000 0.594769000 C -2.058394000 -3.222473000 -0.510780000 C -2.198208000 -2.623123000 -1.815221000 C -0.899004000 -2.596903000 -2.436096000 C -0.514868000 -1.475035000 -3.245273000 C -0.349201000 2.899745000 -2.068830000 C 0.717222000 0.518409000 -3.260473000 C -3.916537000 1.234196000 0.133870000 C 5.862797000 -1.218004000 -0.075540000 C 5.911108000 1.070455000 -0.524625000 C 5.865311000 0.862944000 0.905332000 C 5.840580000 -0.478498000 1.173309000 H 5.791974000 -0.931643000 2.155727000 H 5.838796000 1.657836000 1.640722000 H 5.910192000 2.033626000 -1.018953000 H 5.833889000 -2.296340000 -0.166854000 C 5.960857000 -0.259475000 -1.236321000 H 6.887675000 -0.394689000 -1.827324000 H 5.138116000 -0.386820000 -1.963507000 TSbir E=-2480.181820 G=-2479.785864 C -2.263938000 -1.894004000 0.978939000 C -2.923452000 -0.699004000 0.449052000 C -2.811600000 -0.426675000 -0.948434000 C -2.146491000 -1.354040000 -1.834334000 C -1.551190000 -2.547701000 -1.310859000 C -1.606356000 -2.809952000 0.103115000 C -1.678008000 -1.561238000 2.238353000 C -1.920551000 -0.151940000 2.486796000 C -2.680412000 0.379694000 1.393587000 C -2.417316000 1.713285000 0.925044000 C -2.547373000 0.919739000 -1.420658000 C -1.460312000 -0.586818000 -2.830646000 C -0.187472000 -1.003137000 -3.312665000 C 0.423070000 -2.203949000 -2.787645000 C -0.251556000 -2.962332000 -1.785929000 C 0.486287000 -3.503629000 -0.672544000 C -0.343328000 -3.398614000 0.496271000 C 0.236396000 -3.072712000 1.760558000 C -0.439216000 -2.145340000 2.642611000 C -0.936569000 0.632275000 3.138056000 C 0.311273000 0.041657000 3.554539000 C 0.558987000 -1.347730000 3.303262000 C 1.849332000 -1.770002000 2.817771000 C 1.649871000 -2.845513000 1.874297000 C 2.484984000 -2.938389000 0.706187000 C 1.901207000 -3.268955000 -0.569774000 C 2.577940000 -2.500362000 -1.581178000 C 1.841432000 -1.971378000 -2.692710000 C -1.716285000 0.822491000 -2.578365000 C 2.848126000 1.570376000 -2.250724000 C 1.605246000 2.162563000 -2.648084000 C 0.940453000 3.092656000 -1.771591000 C 1.521318000 3.417962000 -0.500899000 C 2.773550000 2.822197000 -0.104908000 C 4.034121000 0.700058000 -0.447177000 C 3.840578000 -0.366978000 -1.396820000 C 3.095182000 0.165986000 -2.504695000 C 2.099701000 -0.629876000 -3.151449000 C 0.850562000 -0.035989000 -3.553712000 C 0.602431000 1.360813000 -3.300418000 C -0.479006000 2.859094000 -1.871961000 C -1.307758000 2.956271000 -0.710870000 C -0.726765000 3.285792000 0.558905000 C 0.687430000 3.515190000 0.666047000 C 1.422552000 2.978419000 1.785291000 C 2.711712000 2.552345000 1.309952000 C 3.315232000 1.360283000 1.842515000 C 3.973382000 0.433318000 0.960754000 C 3.583780000 -1.698057000 -0.933388000 C 3.520454000 -1.967477000 0.484081000 C 3.720308000 -0.902151000 1.429714000 C 2.878744000 -0.807598000 2.595710000 C 2.625575000 0.591937000 2.848555000 C 1.346938000 1.010044000 3.319351000 C 0.738384000 2.213939000 2.789089000 C -0.669261000 1.981749000 2.674777000 C -1.405095000 2.510432000 1.570569000 C -0.683367000 1.784469000 -2.812260000 C -2.362297000 1.985114000 -0.485465000 C 3.430813000 1.899613000 -0.982127000 C -5.404202000 -1.075441000 0.533990000 C -6.176954000 1.089403000 0.090112000 C -6.036896000 0.393742000 -1.133018000 C -5.608207000 -0.898030000 -0.901655000 H -5.425973000 -1.658487000 -1.649377000 H -6.230894000 0.820938000 -2.110136000 H -5.271168000 -2.032874000 1.021342000 H -6.501649000 2.117127000 0.197009000 C -5.865626000 0.173143000 1.247542000 H -6.752392000 -0.013652000 1.881563000 H -5.100865000 0.580694000 1.929010000 Proint[5,6] E=-2480.216105 G=-2479.814145 C -3.228742000 -0.414831000 -0.493849000 C -2.907845000 0.339518000 0.813229000 C -2.459481000 1.692871000 0.835133000 C -2.091572000 2.370637000 -0.377994000 C -2.113336000 1.644671000 -1.611080000 C -2.548808000 0.274715000 -1.654342000 C -2.541936000 -1.769792000 -0.225924000 C -2.181385000 -1.855571000 1.138406000 C -2.407320000 -0.567541000 1.773274000 C -1.545755000 -0.145358000 2.828627000 C -1.559058000 2.142684000 1.875957000 C -0.951674000 3.222686000 -0.084577000 C 0.097445000 3.381893000 -1.037122000 C 0.047262000 2.663649000 -2.283956000 C -1.058052000 1.803885000 -2.563254000 C -0.833646000 0.514979000 -3.199538000 C -1.753887000 -0.420551000 -2.630062000 C -1.366665000 -1.783462000 -2.425474000 C -1.738347000 -2.435840000 -1.199684000 C -1.104046000 -2.675761000 1.581162000 C -0.302101000 -3.379786000 0.601245000 C -0.617239000 -3.249625000 -0.781040000 C 0.441001000 -3.105231000 -1.748669000 C -0.006582000 -2.183774000 -2.748952000 C 0.907135000 -1.248743000 -3.318580000 C 0.493479000 0.111675000 -3.542562000 C 1.608514000 0.978001000 -3.263529000 C 1.384554000 2.260949000 -2.631920000 C -0.643824000 3.100122000 1.309356000 C 3.669432000 1.758602000 0.227897000 C 2.893833000 2.449898000 1.208489000 C 2.508061000 1.778493000 2.432940000 C 2.915046000 0.415446000 2.671232000 C 3.691381000 -0.280797000 1.690653000 C 4.032242000 -0.319792000 -0.795640000 C 3.585250000 0.599046000 -1.798823000 C 3.359960000 1.886986000 -1.164205000 C 2.262274000 2.712797000 -1.583534000 C 1.478187000 3.409486000 -0.602909000 C 1.786729000 3.272936000 0.788822000 C 1.176886000 2.194991000 2.763219000 C 0.247664000 1.255968000 3.335591000 C 0.656166000 -0.115190000 3.564576000 C 1.978000000 -0.529216000 3.239635000 C 2.200744000 -1.807138000 2.609250000 C 3.274734000 -1.649385000 1.652654000 C 3.228796000 -2.354521000 0.396048000 C 3.616535000 -1.685668000 -0.828794000 C 2.710407000 0.150105000 -2.845993000 C 2.288114000 -1.221561000 -2.884315000 C 2.732439000 -2.135425000 -1.875462000 C 1.812966000 -3.081017000 -1.306154000 C 2.121365000 -3.214166000 0.097942000 C 1.056160000 -3.375805000 1.053074000 C 1.099726000 -2.657100000 2.310854000 C -0.238774000 -2.244439000 2.645919000 C -0.460048000 -0.977553000 3.270199000 C 0.729362000 3.120035000 1.749067000 C -1.108268000 1.234736000 2.874998000 C 4.079138000 0.391299000 0.463299000 C -4.779090000 -0.548691000 -0.767599000 C -6.452899000 -0.087838000 0.913410000 C -6.339302000 1.026946000 0.092823000 C -5.422421000 0.808058000 -0.926747000 H -5.146430000 1.512027000 -1.701914000 H -6.898200000 1.948109000 0.225845000 H -7.103744000 -0.179633000 1.775108000 H -4.863740000 -1.150226000 -1.681470000 C -5.564427000 -1.195868000 0.413986000 H -6.153752000 -2.055263000 0.063653000 H -4.900870000 -1.585391000 1.194678000 Proint[6,6] E=-2480.216700 G=-2479.814898 C -2.512052000 1.106601000 -1.446052000 C -3.220408000 -0.036614000 -0.689686000 C -2.895371000 0.052628000 0.783061000 C -2.424835000 1.257897000 1.413144000 C -2.025884000 2.389505000 0.632888000 C -2.043547000 2.288299000 -0.800686000 C -1.784476000 0.576102000 -2.534357000 C -1.788264000 -0.874059000 -2.447494000 C -2.521952000 -1.266992000 -1.304871000 C -2.051786000 -2.360081000 -0.518651000 C -2.428294000 -1.067093000 1.554785000 C -1.684855000 0.890178000 2.579826000 C -0.522401000 1.625645000 2.965737000 C -0.094292000 2.752634000 2.178063000 C -0.827560000 3.119824000 1.011479000 C -0.132739000 3.497561000 -0.183113000 C -0.869426000 2.970749000 -1.303052000 C -0.174495000 2.460030000 -2.435558000 C -0.644168000 1.244557000 -3.069109000 C -0.649374000 -1.605584000 -2.895286000 C 0.497846000 -0.925773000 -3.433079000 C 0.500560000 0.501092000 -3.520500000 C 1.676718000 1.243067000 -3.143264000 C 1.256386000 2.464877000 -2.487411000 C 2.005048000 2.971459000 -1.366660000 C 1.308844000 3.490410000 -0.213107000 C 2.047548000 3.112843000 0.959521000 C 1.353457000 2.748638000 2.157837000 C -1.687256000 -0.562411000 2.669072000 C 2.948092000 -0.573899000 2.594732000 C 1.796464000 -1.260835000 3.108697000 C 1.344514000 -2.467659000 2.476133000 C 2.036673000 -2.978291000 1.331294000 C 3.197646000 -2.291985000 0.820545000 C 4.070010000 0.033280000 0.651629000 C 3.645943000 1.248991000 1.311681000 C 2.950087000 0.876461000 2.506125000 C 1.800825000 1.624998000 2.931923000 C 0.645492000 0.935135000 3.445036000 C 0.643182000 -0.509738000 3.533679000 C -0.103190000 -2.464254000 2.496151000 C -0.837344000 -2.969661000 1.382784000 C -0.144619000 -3.491030000 0.243083000 C 1.296949000 -3.493644000 0.212808000 C 1.994780000 -3.120970000 -0.995218000 C 3.163264000 -2.378268000 -0.625234000 C 3.589797000 -1.259974000 -1.428521000 C 4.035259000 -0.055153000 -0.797533000 C 3.205647000 2.365141000 0.536473000 C 3.171741000 2.275796000 -0.909050000 C 3.593801000 1.065733000 -1.570440000 C 2.836357000 0.553901000 -2.691878000 C 2.833567000 -0.885464000 -2.604030000 C 1.671280000 -1.620386000 -2.968342000 C 1.247106000 -2.752590000 -2.169586000 C -0.183898000 -2.737318000 -2.119351000 C -0.880771000 -3.102562000 -0.932883000 C -0.527568000 -1.249426000 3.141672000 C -2.033667000 -2.286777000 0.917454000 C 3.642017000 -1.091507000 1.454033000 C -4.773614000 -0.027096000 -0.956187000 C -6.430897000 -0.566502000 0.719863000 C -6.343305000 0.815684000 0.619921000 C -5.428051000 1.192683000 -0.354618000 H -5.161539000 2.206749000 -0.626832000 H -6.917271000 1.512956000 1.222452000 H -4.885448000 -0.056151000 -2.047695000 H -7.072114000 -1.115506000 1.399455000 C -5.514367000 -1.221436000 -0.279431000 H -6.076057000 -1.804825000 -1.022328000 H -4.820614000 -1.927400000 0.193617000 TS[5,6] E=-2480.189226 G=-2479.783956 C 3.252095000 -0.798483000 -0.174524000 C 3.117187000 0.767842000 -0.311510000 C 2.576660000 1.525595000 0.794254000 C 2.221875000 0.924923000 2.059369000 C 2.218923000 -0.489476000 2.189456000 C 2.590568000 -1.322480000 1.074916000 C 2.509489000 -1.306457000 -1.412725000 C 2.138707000 -0.209831000 -2.231930000 C 2.484351000 1.033297000 -1.603277000 C 1.609192000 2.174458000 -1.807902000 C 1.706912000 2.665690000 0.597192000 C 1.143440000 1.690281000 2.627934000 C 0.094108000 1.047087000 3.348393000 C 0.098124000 -0.382677000 3.481733000 C 1.154353000 -1.141761000 2.897608000 C 0.864888000 -2.387801000 2.214604000 C 1.739835000 -2.483677000 1.088324000 C 1.290481000 -3.078017000 -0.133625000 C 1.641525000 -2.458899000 -1.373104000 C 1.038253000 -0.292884000 -3.130718000 C 0.201436000 -1.473385000 -3.134638000 C 0.506963000 -2.553101000 -2.252447000 C -0.565767000 -3.218582000 -1.543480000 C -0.094074000 -3.535820000 -0.233739000 C -0.969403000 -3.425608000 0.891082000 C -0.494802000 -2.857030000 2.124877000 C -1.560500000 -2.086336000 2.708041000 C -1.267531000 -0.848398000 3.390698000 C 0.842862000 2.779290000 1.727606000 C -3.542051000 1.296813000 1.414783000 C -2.725142000 2.464021000 1.395097000 C -2.365352000 3.071107000 0.127770000 C -2.832756000 2.502149000 -1.108018000 C -3.653404000 1.335808000 -1.097140000 C -4.005402000 -0.710530000 0.308633000 C -3.530921000 -1.031149000 1.627940000 C -3.237191000 0.212003000 2.308608000 C -2.106599000 0.300211000 3.190658000 C -1.278708000 1.473017000 3.168978000 C -1.582011000 2.550008000 2.267250000 C -1.007897000 3.529500000 0.229335000 C -0.129577000 3.441553000 -0.898318000 C -0.595426000 2.870597000 -2.129846000 C -1.936539000 2.403140000 -2.241865000 C -2.221674000 1.164138000 -2.923390000 C -3.285643000 0.503816000 -2.215753000 C -3.283145000 -0.934679000 -2.076620000 C -3.649733000 -1.540581000 -0.815421000 C -2.699207000 -2.175439000 1.831680000 C -2.336929000 -3.003514000 0.706670000 C -2.808284000 -2.681506000 -0.606984000 C -1.919041000 -2.791732000 -1.739853000 C -2.215377000 -1.709334000 -2.643900000 C -1.146498000 -1.054312000 -3.346395000 C -1.150084000 0.396221000 -3.483507000 C 0.196081000 0.859431000 -3.361189000 C 0.487543000 2.091928000 -2.696975000 C -0.527011000 3.209976000 1.550499000 C 1.247251000 3.013436000 -0.708533000 C -4.015401000 0.723658000 0.174690000 C 4.817743000 -1.135045000 -0.211322000 C 5.157596000 1.116098000 -0.421813000 C 5.546234000 0.751236000 0.928384000 C 5.408078000 -0.593271000 1.069227000 H 5.536428000 -1.168042000 1.978440000 H 5.785816000 1.456922000 1.715826000 H 5.265590000 2.118665000 -0.822401000 H 4.978907000 -2.195863000 -0.409774000 C 5.365075000 -0.136004000 -1.249552000 H 6.431849000 -0.310970000 -1.439384000 H 4.828901000 -0.143881000 -2.200386000 Prod[5,6] E=-2480.204745 G=-2479.797339 C -3.272625000 0.811406000 -0.250145000 C -3.272585000 -0.811412000 -0.250060000 C -2.593404000 -1.431877000 0.937762000 C -2.224869000 -0.708166000 2.128951000 C -2.224861000 0.708398000 2.128863000 C -2.593405000 1.431982000 0.937615000 C -2.511419000 1.174644000 -1.521785000 C -2.137543000 -0.000108000 -2.226947000 C -2.511400000 -1.174779000 -1.521644000 C -1.628762000 -2.322083000 -1.596353000 C -1.730260000 -2.581015000 0.844338000 C -1.155570000 -1.419927000 2.774481000 C -0.104975000 -0.716918000 3.433829000 C -0.104972000 0.717283000 3.433751000 C -1.155568000 1.420228000 2.774336000 C -0.861034000 2.592266000 1.977911000 C -1.730251000 2.581128000 0.844078000 C -1.277516000 3.058832000 -0.426293000 C -1.628745000 2.321932000 -1.596595000 C -1.034904000 -0.000163000 -3.134098000 C -0.198792000 1.171639000 -3.259085000 C -0.500238000 2.333065000 -2.485464000 C 0.577168000 3.058506000 -1.843923000 C 0.108073000 3.504004000 -0.569490000 C 0.983276000 3.491033000 0.561467000 C 0.505544000 3.045620000 1.844757000 C 1.564486000 2.327582000 2.498886000 C 1.265944000 1.165826000 3.297206000 C -0.861046000 -2.592049000 1.978189000 C 3.529647000 -1.169614000 1.531633000 C 2.707163000 -2.329548000 1.623209000 C 2.346926000 -3.050186000 0.419540000 C 2.816240000 -2.602386000 -0.859457000 C 3.647938000 -1.447184000 -0.960323000 C 4.004985000 0.720473000 0.246420000 C 3.529646000 1.169759000 1.531516000 C 3.229664000 0.000120000 2.322658000 C 2.097975000 0.000161000 3.208832000 C 1.265951000 -1.165475000 3.297316000 C 1.564484000 -2.327330000 2.499133000 C 0.983255000 -3.490972000 0.561837000 C 0.108056000 -3.504066000 -0.569129000 C 0.577153000 -3.058710000 -1.843593000 C 1.924386000 -2.609214000 -1.999677000 C 2.216607000 -1.444523000 -2.797336000 C 3.281144000 -0.723607000 -2.157458000 C 3.281143000 0.723365000 -2.157534000 C 3.647932000 1.447072000 -0.960474000 C 2.707166000 2.329711000 1.622974000 C 2.346932000 3.050241000 0.419226000 C 2.816240000 2.602277000 -0.859732000 C 1.924393000 2.608999000 -1.999952000 C 2.216616000 1.444216000 -2.797495000 C 1.147423000 0.729875000 -3.433161000 C 1.147420000 -0.730239000 -3.433087000 C -0.198803000 -1.171972000 -3.258942000 C -0.500257000 -2.333318000 -2.485216000 C 0.505538000 -3.045415000 1.845064000 C -1.277547000 -3.058883000 -0.425973000 C 4.004974000 -0.720459000 0.246491000 C -4.837296000 1.128848000 -0.321527000 C -4.837311000 -1.128895000 -0.321398000 C -5.424840000 -0.669854000 1.002565000 C -5.424899000 0.669954000 1.002468000 H -5.676124000 1.328147000 1.826333000 H -5.676031000 -1.327948000 1.826521000 H -5.035665000 -2.158903000 -0.620927000 H -5.035712000 2.158809000 -0.621182000 C -5.320419000 -0.000080000 -1.254217000 H -6.407156000 -0.000076000 -1.372882000 H -4.841527000 -0.000133000 -2.236268000 TS[6,6] E=-2480.162547 G=-2479.760492 C -2.590313000 1.039438000 -1.425481000 C -3.252954000 -0.182871000 -0.777961000 C -3.158189000 -0.189043000 0.776901000 C -2.610384000 1.002628000 1.455474000 C -2.183055000 2.180827000 0.728613000 C -2.193860000 2.205072000 -0.688618000 C -1.807780000 0.629767000 -2.529896000 C -1.733308000 -0.818985000 -2.540562000 C -2.460964000 -1.321254000 -1.437857000 C -1.953697000 -2.451672000 -0.727034000 C -2.504295000 -1.335282000 1.439108000 C -1.800522000 0.574294000 2.589479000 C -0.689432000 1.345209000 3.029977000 C -0.313029000 2.556965000 2.343014000 C -1.054015000 2.959778000 1.181223000 C -0.358110000 3.465906000 0.028792000 C -1.046792000 2.989182000 -1.132582000 C -0.311072000 2.595320000 -2.281321000 C -0.704431000 1.397884000 -3.003525000 C -0.557485000 -1.464709000 -3.026726000 C 0.567518000 -0.685893000 -3.483748000 C 0.494946000 0.742700000 -3.471277000 C 1.615333000 1.519421000 -3.024575000 C 1.120568000 2.676149000 -2.303546000 C 1.819551000 3.140274000 -1.144506000 C 1.077824000 3.537595000 0.028330000 C 1.821431000 3.120054000 1.191324000 C 1.126684000 2.633391000 2.347264000 C -1.735503000 -0.842614000 2.585997000 C 2.903390000 -0.625365000 2.582084000 C 1.776840000 -1.407909000 3.028978000 C 1.390289000 -2.590601000 2.306176000 C 2.131229000 -2.986152000 1.144510000 C 3.258771000 -2.207254000 0.705063000 C 4.019574000 0.173957000 0.709129000 C 3.516925000 1.319052000 1.444699000 C 2.830661000 0.827976000 2.593567000 C 1.632472000 1.484655000 3.052916000 C 0.516913000 0.692113000 3.483010000 C 0.587403000 -0.738171000 3.471207000 C -0.050616000 -2.661446000 2.304561000 C -0.746259000 -3.116528000 1.133457000 C -0.002420000 -3.531554000 -0.025433000 C 1.434122000 -3.459242000 -0.025818000 C 2.131326000 -2.970280000 -1.191090000 C 3.254965000 -2.192404000 -0.743264000 C 3.637787000 -1.002695000 -1.457425000 C 4.009901000 0.182463000 -0.731660000 C 3.020724000 2.464936000 0.739077000 C 3.015844000 2.473068000 -0.708337000 C 3.516185000 1.337554000 -1.441352000 C 2.811435000 0.863523000 -2.594719000 C 2.885213000 -0.584747000 -2.604772000 C 1.763070000 -1.352619000 -3.046475000 C 1.389498000 -2.562379000 -2.345541000 C -0.044867000 -2.625805000 -2.323879000 C -0.734818000 -3.108294000 -1.181649000 C -0.547773000 -1.501405000 3.007368000 C -1.948986000 -2.453589000 0.692829000 C 3.635095000 -1.027794000 1.428169000 C -4.801173000 -0.292369000 -1.131807000 C -5.068664000 -0.331779000 1.121555000 C -5.553984000 0.967465000 0.660176000 C -5.440792000 1.007388000 -0.688858000 H -5.628484000 1.853033000 -1.339562000 H -5.826845000 1.792871000 1.308195000 H -4.950188000 -0.574505000 -2.175384000 H -5.182952000 -0.654434000 2.151839000 C -5.305161000 -1.268944000 -0.052940000 H -6.369059000 -1.502633000 -0.181231000 H -4.735175000 -2.200473000 -0.002611000 Prod[6,6] E=-2480.172341 G=-2479.768814 C 2.592914000 -0.972123000 -1.455401000 C 3.262390000 0.211405000 -0.771629000 C 3.300090000 0.159356000 0.823233000 C 2.676279000 -1.091433000 1.449448000 C 2.178863000 -2.204574000 0.639029000 C 2.193043000 -2.166762000 -0.769920000 C 1.806482000 -0.519918000 -2.545020000 C 1.739970000 0.926942000 -2.494440000 C 2.457790000 1.368551000 -1.366036000 C 1.960827000 2.474726000 -0.610288000 C 2.520309000 1.283591000 1.516291000 C 1.809905000 -0.681521000 2.570668000 C 0.685849000 -1.470673000 2.967106000 C 0.310905000 -2.656881000 2.242535000 C 1.050109000 -3.005490000 1.056927000 C 0.354159000 -3.456962000 -0.115482000 C 1.044959000 -2.932969000 -1.255101000 C 0.317663000 -2.492526000 -2.388563000 C 0.714119000 -1.269794000 -3.059384000 C 0.561702000 1.597863000 -2.958733000 C -0.563775000 0.836156000 -3.446709000 C -0.490748000 -0.593114000 -3.500118000 C -1.606473000 -1.390467000 -3.089302000 C -1.118764000 -2.572165000 -2.419657000 C -1.821460000 -3.084864000 -1.282698000 C -1.082973000 -3.529234000 -0.124110000 C -1.829383000 -3.160479000 1.055231000 C -1.136169000 -2.726352000 2.233992000 C 1.729575000 0.722408000 2.595762000 C -2.904208000 0.512196000 2.601948000 C -1.785520000 1.273736000 3.083245000 C -1.391736000 2.492747000 2.410225000 C -2.127601000 2.938698000 1.266216000 C -3.252288000 2.177833000 0.788118000 C -4.024790000 -0.214484000 0.696646000 C -3.527352000 -1.379193000 1.377864000 C -2.835200000 -0.933965000 2.554790000 C -1.639655000 -1.612209000 2.982234000 C -0.518286000 -0.837079000 3.445970000 C -0.590906000 0.584968000 3.490122000 C 0.044048000 2.559492000 2.413176000 C 0.749925000 3.067268000 1.270156000 C 0.008007000 3.532079000 0.123978000 C -1.425303000 3.462116000 0.119003000 C -2.122090000 3.026603000 -1.066737000 C -3.246052000 2.231986000 -0.652529000 C -3.627454000 1.062768000 -1.426354000 C -4.009474000 -0.167121000 -0.745549000 C -3.027654000 -2.489308000 0.629647000 C -3.021680000 -2.439639000 -0.822811000 C -3.520300000 -1.281376000 -1.501293000 C -2.808187000 -0.752364000 -2.631030000 C -2.879625000 0.698521000 -2.582357000 C -1.758606000 1.484278000 -2.991642000 C -1.382468000 2.667696000 -2.233020000 C 0.051468000 2.725658000 -2.204733000 C 0.740730000 3.160227000 -1.044502000 C 0.537394000 1.367726000 3.060045000 C 1.944701000 2.407342000 0.805344000 C -3.638674000 0.960475000 1.464274000 C 4.817469000 0.341374000 -1.135718000 C 4.868183000 0.275197000 1.111069000 C 5.492895000 -1.011213000 0.604130000 C 5.461307000 -0.971854000 -0.734415000 H 5.720195000 -1.765626000 -1.426026000 H 5.788875000 -1.843332000 1.232615000 H 4.970796000 0.674244000 -2.163087000 H 5.071495000 0.548066000 2.147034000 C 5.285918000 1.263914000 0.006632000 H 6.364711000 1.440971000 -0.016167000 H 4.753364000 2.218911000 0.046980000 C60 + indene asymm S=0 Indene (C9H8) E=-347.7947401 C -2.171016000 -0.713586000 0.000000000 C -0.955547000 -1.410500000 0.000000000 C -2.190116000 0.684294000 0.000000000 C 0.229664000 -0.689429000 0.000000000 C -0.998953000 1.415469000 0.000000000 C 0.211702000 0.722685000 0.000000000 H -3.107195000 -1.264763000 0.000000000 H -0.947382000 -2.497790000 0.000000000 H -3.142092000 1.208075000 0.000000000 H -1.018521000 2.502129000 0.000000000 C 1.667876000 -1.155624000 0.000000000 H 1.904436000 -1.772688000 0.878926000 C 2.440205000 0.143958000 0.000000000 H 3.523294000 0.191115000 0.000000000 C 1.599304000 1.196582000 0.000000000 H 1.884315000 2.243516000 0.000000000 H 1.904436000 -1.772688000 -0.878926000 Pre-complex E=-2634.302526 C -2.586223000 -0.023801000 0.117338000 C -2.242149000 -0.483432000 1.453277000 C -1.663894000 0.396287000 2.366655000 C -1.400250000 1.775949000 1.980018000 C -1.729548000 2.213290000 0.697339000 C -2.338746000 1.295473000 -0.252601000 C -2.315641000 -1.106247000 -0.813863000 C -1.804256000 -2.236891000 -0.054505000 C -1.758676000 -1.850966000 1.348589000 C -0.707552000 -2.282225000 2.157183000 C -0.565287000 -0.052745000 3.207876000 C -0.138003000 2.176747000 2.582016000 C 0.739884000 3.003479000 1.879633000 C 0.393846000 3.462729000 0.543503000 C -0.814750000 3.075213000 -0.035176000 C -0.859946000 2.690093000 -1.438178000 C -1.803355000 1.590042000 -1.571901000 C -1.543659000 0.553398000 -2.468950000 C -1.806984000 -0.825450000 -2.082096000 C -0.796750000 -3.037845000 -0.591330000 C -0.259451000 -2.742105000 -1.910706000 C -0.753721000 -1.659655000 -2.640367000 C 0.161493000 -0.796705000 -3.371510000 C -0.326445000 0.570240000 -3.265194000 C 0.578269000 1.625085000 -3.137148000 C 0.305347000 2.707505000 -2.204282000 C 1.566779000 3.110760000 -1.600284000 C 1.609986000 3.479679000 -0.255823000 C 0.377698000 1.047236000 3.341296000 C 4.232274000 1.102168000 0.810905000 C 3.716675000 0.819676000 2.075848000 C 3.452035000 -0.557954000 2.462068000 C 3.714609000 -1.596059000 1.568219000 C 4.251760000 -1.301023000 0.248632000 C 4.158369000 0.478575000 -1.458280000 C 3.671012000 1.845091000 -1.351401000 C 3.716397000 2.230315000 0.050783000 C 2.707663000 3.030552000 0.587173000 C 2.169779000 2.735889000 1.906736000 C 2.664066000 1.653819000 2.635464000 C 2.236156000 -0.575302000 3.260562000 C 1.332202000 -1.630083000 3.132350000 C 1.605987000 -2.713271000 2.199896000 C 2.771810000 -2.696096000 1.434138000 C 2.726601000 -3.080875000 0.032146000 C 3.641072000 -2.218888000 -0.700833000 C 3.309229000 -1.779196000 -1.982095000 C 3.573435000 -0.401435000 -2.368602000 C 2.618557000 2.275485000 -2.159337000 C 2.007883000 1.357378000 -3.108588000 C 2.475533000 0.047230000 -3.211204000 C 1.532632000 -1.052456000 -3.345128000 C 2.047801000 -2.181495000 -2.585703000 C 1.170754000 -3.007539000 -1.882683000 C 1.517602000 -3.467635000 -0.546350000 C 0.302042000 -3.486540000 0.252479000 C 0.345286000 -3.117528000 1.596945000 C 1.748744000 0.791274000 3.366894000 C -0.097691000 -1.363752000 3.105986000 C 4.505508000 0.019424000 -0.121934000 C -5.625578000 -0.211480000 -0.677019000 C -5.601275000 -2.421530000 0.153272000 C -5.536118000 -1.582632000 1.206118000 C -5.547640000 -0.195472000 0.734080000 H -5.468781000 -1.868707000 2.250234000 H -5.602328000 -3.504498000 0.199305000 C -5.680385000 -1.647945000 -1.143033000 H -6.603397000 -1.871891000 -1.697100000 H -4.847025000 -1.891630000 -1.815891000 C -5.598502000 0.972642000 -1.398171000 H -5.641994000 0.966312000 -2.484292000 C -5.454952000 1.012319000 1.426465000 H -5.383938000 1.027836000 2.510503000 C -5.421685000 2.201175000 0.694833000 H -5.332044000 3.150594000 1.214896000 C -5.488953000 2.183581000 -0.702997000 H -5.452766000 3.118700000 -1.254305000 TS[5,6] E=-2634.239511 C -2.816526000 -0.112436000 -0.403071000 C -2.577895000 -1.631100000 -0.082197000 C -1.866389000 -1.866746000 1.206227000 C -1.730831000 -0.877772000 2.182214000 C -2.062407000 0.487898000 1.906908000 C -2.501345000 0.857043000 0.620223000 C -2.173100000 0.165396000 -1.709172000 C -1.581851000 -1.038739000 -2.236025000 C -1.685406000 -2.082160000 -1.248521000 C -0.628938000 -2.964270000 -1.099187000 C -0.760572000 -2.797482000 1.345229000 C -0.541941000 -1.178504000 3.003360000 C 0.265170000 -0.156407000 3.475420000 C -0.064127000 1.243759000 3.178797000 C -1.188829000 1.550016000 2.422444000 C -1.113427000 2.593025000 1.416810000 C -1.917888000 2.156411000 0.292185000 C -1.506249000 2.434245000 -1.002340000 C -1.637042000 1.401246000 -2.034356000 C -0.474330000 -0.958305000 -3.096838000 C 0.091577000 0.334118000 -3.432071000 C -0.476746000 1.491070000 -2.897972000 C 0.374220000 2.566288000 -2.410027000 C -0.260965000 3.147002000 -1.237335000 C 0.519701000 3.564746000 -0.156990000 C 0.083675000 3.281846000 1.200725000 C 1.256844000 2.957525000 1.990135000 C 1.180777000 1.954029000 2.960914000 C 0.052833000 -2.387564000 2.479938000 C 3.990750000 -0.120540000 1.747926000 C 3.451957000 -1.367091000 2.061247000 C 3.316878000 -2.384094000 1.025811000 C 3.732513000 -2.110790000 -0.276262000 C 4.298651000 -0.808146000 -0.603146000 C 4.102789000 1.550179000 0.093635000 C 3.467050000 2.126050000 1.269921000 C 3.394906000 1.091313000 2.291201000 C 2.275013000 1.006275000 3.117390000 C 1.709538000 -0.293884000 3.441804000 C 2.289128000 -1.458642000 2.930627000 C 2.075192000 -3.104015000 1.263954000 C 1.283864000 -3.505367000 0.181986000 C 1.714568000 -3.210070000 -1.175336000 C 2.913735000 -2.533785000 -1.401356000 C 2.985797000 -1.501210000 -2.426022000 C 3.841018000 -0.436164000 -1.930232000 C 3.530280000 0.898268000 -2.214005000 C 3.667447000 1.910873000 -1.182397000 C 2.423348000 3.038045000 1.123534000 C 1.967444000 3.414883000 -0.207614000 C 2.573982000 2.861964000 -1.333658000 C 1.761253000 2.429936000 -2.461103000 C 2.354927000 1.217615000 -3.007112000 C 1.536794000 0.193474000 -3.485728000 C 1.860198000 -1.195913000 -3.190593000 C 0.611020000 -1.902158000 -2.955273000 C 0.536203000 -2.877568000 -1.959508000 C 1.441456000 -2.529550000 2.438106000 C -0.160552000 -3.371481000 0.234552000 C 4.426317000 0.165404000 0.388173000 C -4.838785000 -0.228336000 -0.719866000 C -4.091987000 -2.316921000 -0.122370000 C -4.859150000 -1.747569000 1.007870000 C -5.250395000 -0.474872000 0.667561000 H -4.898449000 -2.174194000 2.003408000 H -3.988269000 -3.400909000 -0.165860000 C -4.714636000 -1.603081000 -1.339308000 H -5.711004000 -2.011345000 -1.544675000 H -4.117540000 -1.649387000 -2.251389000 C -5.225102000 1.003032000 -1.348618000 H -5.021458000 1.155705000 -2.404115000 C -5.814639000 0.592892000 1.431509000 H -6.049453000 0.444689000 2.481484000 C -6.034964000 1.794929000 0.820124000 H -6.445707000 2.623627000 1.389616000 C -5.762463000 1.994530000 -0.580371000 H -6.004151000 2.956261000 -1.023355000 Prod[5,6] E= -2634.24925519 C -2.951534000 -0.104133000 -0.462464000 C -2.604940000 -1.663689000 -0.136969000 C -1.892641000 -1.881333000 1.164120000 C -1.763752000 -0.901975000 2.137043000 C -2.080758000 0.476341000 1.852009000 C -2.524727000 0.863283000 0.596428000 C -2.180650000 0.180875000 -1.749377000 C -1.564930000 -1.012084000 -2.257752000 C -1.674777000 -2.065753000 -1.286747000 C -0.623338000 -2.952929000 -1.139186000 C -0.782662000 -2.819526000 1.311921000 C -0.581015000 -1.204456000 2.971154000 C 0.221491000 -0.187219000 3.457695000 C -0.102566000 1.219787000 3.166926000 C -1.212261000 1.536977000 2.402796000 C -1.131669000 2.591164000 1.416224000 C -1.930048000 2.161925000 0.281741000 C -1.506547000 2.450257000 -1.003699000 C -1.623688000 1.411238000 -2.043557000 C -0.446089000 -0.930448000 -3.110747000 C 0.121645000 0.358857000 -3.431609000 C -0.453062000 1.508752000 -2.887379000 C 0.392443000 2.581956000 -2.386094000 C -0.255167000 3.157462000 -1.218847000 C 0.517533000 3.573409000 -0.130513000 C 0.068360000 3.280629000 1.219182000 C 1.232494000 2.944942000 2.017250000 C 1.145188000 1.932476000 2.978115000 C 0.019907000 -2.411973000 2.452452000 C 3.965553000 -0.135506000 1.780690000 C 3.424490000 -1.384806000 2.078827000 C 3.302212000 -2.394215000 1.034465000 C 3.728622000 -2.109230000 -0.260775000 C 4.299071000 -0.804488000 -0.572507000 C 4.096695000 1.548476000 0.141204000 C 3.448064000 2.115619000 1.315050000 C 3.364207000 1.072431000 2.326882000 C 2.234595000 0.980878000 3.138860000 C 1.664178000 -0.322487000 3.444602000 C 2.251606000 -1.484433000 2.933708000 C 2.056063000 -3.114925000 1.253498000 C 1.277324000 -3.507329000 0.160410000 C 1.721244000 -3.200963000 -1.189146000 C 2.922433000 -2.524273000 -1.398624000 C 3.005778000 -1.483829000 -2.414746000 C 3.853954000 -0.422775000 -1.900222000 C 3.546078000 0.915105000 -2.176905000 C 3.673007000 1.918949000 -1.136033000 C 2.408436000 3.031560000 1.164768000 C 1.965412000 3.419184000 -0.168386000 C 2.582839000 2.873690000 -1.291602000 C 1.779587000 2.448441000 -2.428369000 C 2.379303000 1.240183000 -2.978721000 C 1.567538000 0.220221000 -3.475514000 C 1.887733000 -1.171592000 -3.187928000 C 0.635639000 -1.877235000 -2.969889000 C 0.549903000 -2.859990000 -1.982279000 C 1.410384000 -2.551887000 2.426096000 C -0.168746000 -3.368740000 0.199758000 C 4.415379000 0.161540000 0.428001000 C -4.558023000 -0.167219000 -0.683525000 C -4.058998000 -2.324771000 -0.202581000 C -4.838095000 -1.775919000 0.967168000 C -5.136432000 -0.485123000 0.690112000 H -4.998287000 -2.292951000 1.906191000 H -4.002210000 -3.410590000 -0.290512000 C -4.690820000 -1.539385000 -1.373816000 H -5.739322000 -1.805764000 -1.527361000 H -4.146527000 -1.624390000 -2.318019000 C -5.082351000 1.074095000 -1.306860000 H -4.845660000 1.270659000 -2.348709000 C -5.793803000 0.546124000 1.443717000 H -6.077716000 0.358725000 2.475748000 C -6.077799000 1.728241000 0.839219000 H -6.582925000 2.514382000 1.393162000 C -5.762424000 1.969526000 -0.562680000 H -6.099833000 2.902230000 -1.006764000 TS[6,6] E=-2634.265706 C -2.471084000 0.913820000 0.591025000 C -2.732908000 -0.132911000 -0.400828000 C -2.551426000 -1.583458000 -0.028009000 C -1.861774000 -1.781110000 1.315317000 C -1.726702000 -0.768200000 2.243351000 C -2.055263000 0.625494000 1.884508000 C -1.964868000 2.094253000 -0.080896000 C -1.788730000 1.761623000 -1.482319000 C -2.181874000 0.377740000 -1.656920000 C -1.505870000 -0.424994000 -2.564260000 C -1.593043000 -2.318847000 -0.964789000 C -0.842876000 -2.788377000 1.209549000 C 0.260613000 -2.792053000 2.070080000 C 0.397216000 -1.738955000 3.050095000 C -0.578460000 -0.738746000 3.126420000 C -0.184982000 0.648522000 3.309141000 C -1.096775000 1.486228000 2.540738000 C -0.608594000 2.633335000 1.897798000 C -1.055935000 2.942878000 0.556323000 C -0.716011000 2.288652000 -2.204213000 C 0.238786000 3.164628000 -1.538536000 C 0.073172000 3.481946000 -0.190531000 C 1.223541000 3.500185000 0.698830000 C 0.800754000 2.971869000 1.988870000 C 1.670304000 2.168947000 2.729463000 C 1.164954000 0.983824000 3.405743000 C 2.181093000 -0.055837000 3.315108000 C 1.804922000 -1.388466000 3.142267000 C -0.674837000 -3.120260000 -0.195733000 C 3.794455000 -2.048361000 0.095956000 C 2.876159000 -2.885746000 -0.539571000 C 2.419430000 -2.575476000 -1.886095000 C 2.898373000 -1.438839000 -2.539037000 C 3.855451000 -0.568573000 -1.878833000 C 4.431219000 0.197013000 0.396845000 C 4.014988000 -0.328411000 1.687488000 C 3.622765000 -1.716131000 1.502726000 C 2.541018000 -2.235716000 2.214991000 C 1.584741000 -3.106725000 1.550312000 C 1.747367000 -3.423097000 0.203462000 C 1.010177000 -2.922767000 -1.972665000 C 0.134498000 -2.114970000 -2.703227000 C 0.635363000 -0.933151000 -3.385994000 C 1.987830000 -0.602111000 -3.308657000 C 2.388725000 0.785340000 -3.129555000 C 3.538126000 0.806433000 -2.241784000 C 3.675118000 1.825391000 -1.298286000 C 4.126808000 1.513367000 0.048775000 C 3.308447000 0.483706000 2.576579000 C 2.991473000 1.858324000 2.212706000 C 3.396145000 2.362794000 0.976402000 C 2.492365000 3.199574000 0.203436000 C 2.665403000 2.867923000 -1.203359000 C 1.561366000 2.850235000 -2.055779000 C 1.417588000 1.785162000 -3.039193000 C 0.009338000 1.444290000 -3.131517000 C -0.378700000 0.107876000 -3.296360000 C 0.594602000 -3.441043000 -0.688413000 C -1.185640000 -1.812277000 -2.184729000 C 4.293247000 -0.865753000 -0.587179000 C -4.956521000 -0.271310000 -0.726664000 C -4.083061000 -2.302288000 -0.055226000 C -4.849215000 -1.724036000 1.056807000 C -5.286080000 -0.469040000 0.677099000 H -4.855216000 -2.114090000 2.067911000 H -3.942071000 -3.382440000 -0.066106000 C -4.699269000 -1.641834000 -1.302263000 H -5.651688000 -2.129474000 -1.548608000 H -4.057874000 -1.658224000 -2.186132000 C -5.327180000 0.938958000 -1.371809000 H -5.140743000 1.067235000 -2.433761000 C -5.853590000 0.608724000 1.424458000 H -6.058677000 0.485891000 2.483798000 C -6.109401000 1.790743000 0.785227000 H -6.521728000 2.628369000 1.340151000 C -5.853260000 1.956093000 -0.617071000 H -6.096044000 2.906598000 -1.082826000 Prod[6,6] E= -2634.28011530 C -2.510436000 0.897393000 0.601623000 C -2.930834000 -0.113436000 -0.456719000 C -2.589346000 -1.634793000 -0.109434000 C -1.882995000 -1.840205000 1.226236000 C -1.758937000 -0.860028000 2.186001000 C -2.081542000 0.549775000 1.864130000 C -1.980115000 2.078440000 -0.024877000 C -1.792323000 1.794678000 -1.437377000 C -2.204434000 0.437278000 -1.680463000 C -1.499788000 -0.333917000 -2.577413000 C -1.588458000 -2.292242000 -1.061164000 C -0.856047000 -2.838052000 1.096861000 C 0.240603000 -2.868289000 1.964878000 C 0.364026000 -1.849145000 2.981182000 C -0.616793000 -0.855473000 3.077323000 C -0.226599000 0.525123000 3.311845000 C -1.129406000 1.386169000 2.564520000 C -0.642201000 2.558231000 1.974345000 C -1.079833000 2.914321000 0.644779000 C -0.716840000 2.359496000 -2.129983000 C 0.229896000 3.215289000 -1.428009000 C 0.053135000 3.484209000 -0.071998000 C 1.196189000 3.476354000 0.826666000 C 0.765034000 2.901593000 2.093125000 C 1.628689000 2.071824000 2.809687000 C 1.120452000 0.861478000 3.439395000 C 2.140618000 -0.170972000 3.322653000 C 1.769270000 -1.497622000 3.098644000 C -0.673724000 -3.118729000 -0.316898000 C 3.786773000 -2.043810000 0.047877000 C 2.877452000 -2.861663000 -0.624671000 C 2.428394000 -2.503834000 -1.962500000 C 2.908739000 -1.342886000 -2.570561000 C 3.856878000 -0.494068000 -1.872013000 C 4.411590000 0.192204000 0.433128000 C 3.987694000 -0.380329000 1.701064000 C 3.602136000 -1.761855000 1.464388000 C 2.516698000 -2.309754000 2.149111000 C 1.569440000 -3.160508000 1.446140000 C 1.745172000 -3.429448000 0.090084000 C 1.021803000 -2.852726000 -2.071381000 C 0.145447000 -2.018951000 -2.773500000 C 0.648870000 -0.811147000 -3.407008000 C 2.000517000 -0.481526000 -3.314663000 C 2.396608000 0.900389000 -3.083081000 C 3.539642000 0.892748000 -2.188437000 C 3.666999000 1.878702000 -1.208653000 C 4.109097000 1.519856000 0.129866000 C 3.271668000 0.397562000 2.612474000 C 2.954974000 1.784248000 2.295302000 C 3.368955000 2.334536000 1.081149000 C 2.470832000 3.197327000 0.331305000 C 2.655458000 2.915793000 -1.084999000 C 1.557498000 2.925619000 -1.946465000 C 1.424776000 1.896034000 -2.967736000 C 0.017240000 1.552225000 -3.076917000 C -0.365544000 0.222878000 -3.285270000 C 0.600568000 -3.418104000 -0.810357000 C -1.179510000 -1.744092000 -2.256626000 C 4.286185000 -0.835772000 -0.588468000 C -4.539896000 -0.173928000 -0.677708000 C -4.032521000 -2.317448000 -0.175046000 C -4.827195000 -1.769830000 0.982927000 C -5.128197000 -0.483422000 0.694450000 H -4.994829000 -2.285187000 1.921662000 H -3.960830000 -3.403094000 -0.251308000 C -4.648821000 -1.549813000 -1.364567000 H -5.689170000 -1.829380000 -1.549214000 H -4.071043000 -1.630518000 -2.290777000 C -5.083532000 1.053698000 -1.314268000 H -4.849948000 1.242289000 -2.358365000 C -5.804132000 0.546897000 1.435892000 H -6.088584000 0.364470000 2.468653000 C -6.107023000 1.715730000 0.817660000 H -6.628189000 2.500022000 1.359057000 C -5.787836000 1.943164000 -0.586292000 H -6.144330000 2.860706000 -1.046832000 S=1 Pre-complex E=-2634.241763 C -2.552927000 0.256130000 0.367228000 C -2.243134000 1.501996000 -0.249563000 C -1.804425000 1.540482000 -1.599477000 C -1.686523000 0.294722000 -2.359665000 C -1.990904000 -0.919573000 -1.756418000 C -2.427996000 -0.953442000 -0.359729000 C -2.112562000 0.310724000 1.763531000 C -1.528094000 1.618526000 2.000764000 C -1.595223000 2.354757000 0.747912000 C -0.550129000 3.190646000 0.374847000 C -0.732874000 2.399587000 -1.981814000 C -0.525769000 0.402866000 -3.226964000 C 0.287065000 -0.712940000 -3.451675000 C -0.034956000 -1.982930000 -2.823088000 C -1.158110000 -2.084323000 -1.994928000 C -1.075645000 -2.819515000 -0.742389000 C -1.879482000 -2.112563000 0.256518000 C -1.441010000 -2.062754000 1.605579000 C -1.570983000 -0.817752000 2.365448000 C -0.405829000 1.743793000 2.827103000 C 0.163874000 0.563490000 3.454086000 C -0.410200000 -0.691862000 3.230152000 C 0.436706000 -1.847768000 2.988074000 C -0.217229000 -2.690232000 1.985520000 C 0.568004000 -3.367210000 1.020547000 C 0.115792000 -3.429393000 -0.370805000 C 1.282838000 -3.333240000 -1.231371000 C 1.211054000 -2.620736000 -2.433416000 C 0.074302000 1.704312000 -2.985845000 C 4.012096000 -0.312282000 -1.757697000 C 3.465511000 0.816245000 -2.359256000 C 3.334578000 2.059631000 -1.601857000 C 3.773421000 2.110782000 -0.257474000 C 4.334040000 0.948995000 0.361036000 C 4.138930000 -1.507687000 0.254108000 C 3.491266000 -2.357078000 -0.742401000 C 3.423450000 -1.619152000 -1.992843000 C 2.303867000 -1.745385000 -2.820717000 C 1.733210000 -0.565766000 -3.449779000 C 2.305608000 0.689131000 -3.224911000 C 2.108131000 2.687716000 -1.983329000 C 1.323813000 3.364291000 -1.019222000 C 1.777879000 3.425268000 0.370954000 C 2.970860000 2.814336000 0.740574000 C 3.054065000 2.078019000 1.991531000 C 3.889943000 0.914604000 1.754149000 C 3.581603000 -0.300178000 2.356569000 C 3.700485000 -1.544486000 1.599106000 C 2.444112000 -3.193175000 -0.370920000 C 1.989340000 -3.223818000 1.019878000 C 2.624419000 -2.404693000 1.982823000 C 1.819483000 -1.708686000 2.985356000 C 2.420952000 -0.407091000 3.224105000 C 1.610414000 0.708477000 3.451310000 C 1.933140000 1.978444000 2.821827000 C 0.687024000 2.617778000 2.436025000 C 0.613373000 3.330154000 1.233661000 C 1.456770000 1.844689000 -2.985152000 C -0.097023000 3.220203000 -1.017546000 C 4.456057000 -0.257215000 -0.365568000 C -5.517095000 0.354496000 0.636444000 C -5.412543000 2.386057000 -0.557146000 C -5.466413000 1.378742000 -1.455044000 C -5.531157000 0.098367000 -0.755083000 H -5.445791000 1.482910000 -2.534412000 H -5.349036000 3.443044000 -0.787970000 C -5.462474000 1.848335000 0.853485000 H -6.341334000 2.220778000 1.399283000 H -4.584595000 2.151164000 1.440181000 C -5.525813000 -0.692687000 1.547807000 H -5.500400000 -0.500798000 2.617110000 C -5.554092000 -1.213194000 -1.233721000 H -5.552209000 -1.415339000 -2.301077000 C -5.555852000 -2.261354000 -0.311562000 H -5.559919000 -3.288283000 -0.665306000 C -5.539918000 -2.006118000 1.064905000 H -5.533264000 -2.836560000 1.764656000 TSbir[5,6] E=-2634.231881 C 2.530632000 -0.161093000 0.551457000 C 2.370235000 -1.471662000 -0.087127000 C 1.903508000 -1.466243000 -1.478446000 C 1.795984000 -0.235414000 -2.217165000 C 2.052578000 0.993233000 -1.596495000 C 2.428074000 1.025733000 -0.168998000 C 2.018094000 -0.225570000 1.906258000 C 1.437393000 -1.543537000 2.102364000 C 1.595754000 -2.285587000 0.866719000 C 0.580553000 -3.135540000 0.440974000 C 0.854371000 -2.342706000 -1.905955000 C 0.673447000 -0.354608000 -3.143268000 C -0.143639000 0.747133000 -3.395830000 C 0.126309000 2.020304000 -2.747257000 C 1.213067000 2.131438000 -1.860791000 C 1.056885000 2.867630000 -0.610844000 C 1.823040000 2.186518000 0.425293000 C 1.330432000 2.133162000 1.743542000 C 1.434557000 0.900277000 2.494887000 C 0.279788000 -1.692156000 2.875367000 C -0.339041000 -0.516916000 3.475078000 C 0.223770000 0.746028000 3.290701000 C -0.629362000 1.891836000 3.021022000 C 0.057960000 2.745562000 2.060633000 C -0.676166000 3.400185000 1.064267000 C -0.162189000 3.462354000 -0.299046000 C -1.286738000 3.344403000 -1.216244000 C -1.140764000 2.633150000 -2.415398000 C 0.086507000 -1.666790000 -2.949449000 C -3.946630000 0.280792000 -1.900615000 C -3.355124000 -0.839073000 -2.482299000 C -3.240042000 -2.078772000 -1.726350000 C -3.732505000 -2.141686000 -0.414934000 C -4.348110000 -0.977641000 0.185594000 C -4.188242000 1.483468000 0.108270000 C -3.508546000 2.337798000 -0.847110000 C -3.359552000 1.597341000 -2.092622000 C -2.204330000 1.742897000 -2.859122000 C -1.587379000 0.574484000 -3.468519000 C -2.150382000 -0.687923000 -3.283738000 C -1.973264000 -2.690242000 -2.054999000 C -1.228694000 -3.345637000 -1.056976000 C -1.741200000 -3.407338000 0.307184000 C -2.965105000 -2.822131000 0.618803000 C -3.122748000 -2.083142000 1.865253000 C -3.971379000 -0.940976000 1.595907000 C -3.720658000 0.284255000 2.218667000 C -3.827082000 1.519507000 1.463929000 C -2.488359000 3.191549000 -0.422506000 C -2.110418000 3.227654000 0.987503000 C -2.771931000 2.408702000 1.908545000 C -2.011791000 1.727058000 2.945127000 C -2.599827000 0.410534000 3.137771000 C -1.781146000 -0.688402000 3.398244000 C -2.045272000 -1.965433000 2.749584000 C -0.771926000 -2.582132000 2.432931000 C -0.618812000 -3.288864000 1.227193000 C -1.294647000 -1.834441000 -3.016130000 C 0.195925000 -3.171700000 -0.984132000 C -4.456491000 0.212911000 -0.537413000 C 5.537290000 -0.430178000 0.658599000 C 4.444856000 -2.316920000 -0.229787000 C 4.918128000 -1.532092000 -1.286640000 C 5.495486000 -0.332206000 -0.761098000 H 4.756284000 -1.736981000 -2.337843000 H 4.104725000 -3.339585000 -0.340886000 C 5.024365000 -1.790667000 1.069208000 H 5.852818000 -2.443980000 1.384697000 H 4.313743000 -1.762724000 1.901106000 C 5.982386000 0.634089000 1.424405000 H 6.004273000 0.571190000 2.508809000 C 5.912174000 0.845964000 -1.404542000 H 5.869701000 0.928438000 -2.486526000 C 6.350421000 1.910207000 -0.623902000 H 6.661857000 2.835268000 -1.099819000 C 6.384520000 1.809168000 0.775551000 H 6.722604000 2.656926000 1.363955000 Proint[5,6] E=-2634.257204 C -2.541585000 0.161127000 -0.266430000 C -2.571964000 -1.348780000 0.044403000 C -1.835597000 -1.625448000 1.343120000 C -1.577769000 -0.606650000 2.316970000 C -1.812164000 0.744710000 2.033572000 C -2.288608000 1.124302000 0.691157000 C -2.101508000 0.378342000 -1.615182000 C -1.620044000 -0.885435000 -2.155796000 C -1.758226000 -1.896395000 -1.145189000 C -0.773585000 -2.856666000 -1.009815000 C -0.812477000 -2.620096000 1.456664000 C -0.398732000 -0.990150000 3.090157000 C 0.505459000 -0.022511000 3.519578000 C 0.271599000 1.378395000 3.205998000 C -0.864890000 1.743960000 2.469842000 C -0.751007000 2.747411000 1.420133000 C -1.629737000 2.361709000 0.327982000 C -1.245480000 2.596258000 -0.995813000 C -1.487829000 1.579770000 -1.993403000 C -0.544281000 -0.899284000 -3.053312000 C 0.105747000 0.349032000 -3.424278000 C -0.354808000 1.559242000 -2.906801000 C 0.592829000 2.570107000 -2.465090000 C 0.041603000 3.210104000 -1.279510000 C 0.886373000 3.575630000 -0.230382000 C 0.479279000 3.343329000 1.148933000 C 1.657956000 2.956361000 1.909180000 C 1.552647000 1.990877000 2.914517000 C 0.078931000 -2.247271000 2.553561000 C 4.148925000 -0.310079000 1.634609000 C 3.525006000 -1.504187000 1.992612000 C 3.270733000 -2.524293000 0.983988000 C 3.660257000 -2.305731000 -0.340421000 C 4.311701000 -1.061992000 -0.710740000 C 4.320724000 1.317302000 -0.057509000 C 3.774681000 1.957956000 1.126996000 C 3.667595000 0.953081000 2.174308000 C 2.583638000 0.970336000 3.050521000 C 1.935039000 -0.276205000 3.426797000 C 2.395828000 -1.487344000 2.909337000 C 1.989846000 -3.136463000 1.275557000 C 1.130998000 -3.500368000 0.228089000 C 1.537765000 -3.266457000 -1.150795000 C 2.774975000 -2.688377000 -1.429692000 C 2.888210000 -1.683690000 -2.478503000 C 3.835407000 -0.678051000 -2.033073000 C 3.619195000 0.668500000 -2.333631000 C 3.866132000 1.686714000 -1.325895000 C 2.789392000 2.937739000 0.999202000 C 2.312612000 3.322067000 -0.323032000 C 2.842352000 2.709934000 -1.461101000 C 1.964030000 2.326302000 -2.554180000 C 2.444368000 1.062758000 -3.093891000 C 1.534182000 0.095895000 -3.522571000 C 1.761557000 -1.307758000 -3.210998000 C 0.472898000 -1.917502000 -2.924813000 C 0.362340000 -2.872625000 -1.909676000 C 1.445776000 -2.495086000 2.462561000 C -0.289400000 -3.257497000 0.323951000 C 4.551967000 -0.083276000 0.254367000 C -5.748122000 -0.413901000 -0.674179000 C -4.044260000 -1.933730000 0.109389000 C -4.803140000 -1.303233000 1.246952000 C -5.708602000 -0.346238000 0.752282000 H -4.567809000 -1.470671000 2.290888000 H -3.927824000 -3.017690000 0.221834000 C -4.884669000 -1.560726000 -1.144317000 H -5.512471000 -2.415136000 -1.429765000 H -4.274270000 -1.315017000 -2.017556000 C -6.526802000 0.465896000 -1.401731000 H -6.550975000 0.418681000 -2.487543000 C -6.496657000 0.614037000 1.428498000 H -6.475628000 0.673782000 2.512921000 C -7.276788000 1.488749000 0.682735000 H -7.878154000 2.238204000 1.189784000 C -7.293185000 1.425988000 -0.719827000 H -7.904695000 2.125314000 -1.282205000 TS[5,6] E=-2634.224067 C -2.830671000 -0.159271000 -0.461067000 C -2.591401000 -1.632881000 0.038596000 C -1.901127000 -1.703012000 1.381348000 C -1.767013000 -0.563274000 2.256494000 C -2.064934000 0.722397000 1.801865000 C -2.506815000 0.934023000 0.430237000 C -2.157250000 -0.047546000 -1.785489000 C -1.549410000 -1.302133000 -2.146838000 C -1.666941000 -2.209546000 -1.043113000 C -0.631070000 -3.081476000 -0.766431000 C -0.826706000 -2.595394000 1.653226000 C -0.617047000 -0.773806000 3.122416000 C 0.197718000 0.300228000 3.491780000 C -0.114156000 1.636904000 3.018597000 C -1.228926000 1.839164000 2.194210000 C -1.133785000 2.727687000 1.051196000 C -1.929726000 2.151566000 -0.031165000 C -1.499794000 2.293649000 -1.364155000 C -1.609649000 1.141153000 -2.251645000 C -0.432882000 -1.340472000 -3.001698000 C 0.142919000 -0.099905000 -3.477090000 C -0.431491000 1.116434000 -3.102794000 C 0.412275000 2.237524000 -2.729245000 C -0.250109000 2.957420000 -1.646911000 C 0.519117000 3.503140000 -0.607414000 C 0.059440000 3.385816000 0.770574000 C 1.220625000 3.171968000 1.622035000 C 1.133536000 2.313729000 2.721964000 C -0.022049000 -2.038410000 2.740603000 C 3.942372000 0.091208000 1.807638000 C 3.385702000 -1.102347000 2.264178000 C 3.258746000 -2.239590000 1.360459000 C 3.705740000 -2.131660000 0.038084000 C 4.285034000 -0.889287000 -0.433562000 C 4.088347000 1.539414000 -0.039627000 C 3.436780000 2.258256000 1.043369000 C 3.348034000 1.364145000 2.188813000 C 2.223642000 1.391947000 3.011527000 C 1.641655000 0.145374000 3.488582000 C 2.213216000 -1.075548000 3.123220000 C 2.012744000 -2.911458000 1.656089000 C 1.238946000 -3.451130000 0.615543000 C 1.704910000 -3.333132000 -0.761340000 C 2.911113000 -2.694233000 -1.043317000 C 3.009342000 -1.799985000 -2.189459000 C 3.854231000 -0.682430000 -1.809991000 C 3.556602000 0.604417000 -2.263372000 C 3.673843000 1.739922000 -1.360317000 C 2.393772000 3.141300000 0.766875000 C 1.956447000 3.346135000 -0.609689000 C 2.592195000 2.660920000 -1.652128000 C 1.800183000 2.095791000 -2.732502000 C 2.400729000 0.824981000 -3.114812000 C 1.589593000 -0.249065000 -3.482688000 C 1.900552000 -1.590134000 -3.010466000 C 0.644403000 -2.261270000 -2.717044000 C 0.548649000 -3.109036000 -1.611112000 C 1.360935000 -2.191144000 2.741590000 C -0.194636000 -3.311402000 0.618832000 C 4.399772000 0.203025000 0.430859000 C -4.764886000 -0.289113000 -0.696572000 C -4.038099000 -2.321386000 0.058635000 C -4.797259000 -1.648321000 1.170696000 C -5.161385000 -0.406040000 0.726366000 H -4.848261000 -2.008485000 2.191303000 H -3.953030000 -3.407779000 0.110791000 C -4.710286000 -1.725176000 -1.195116000 H -5.720694000 -2.125664000 -1.333223000 H -4.141836000 -1.863692000 -2.117286000 C -5.185410000 0.878398000 -1.425451000 H -5.031088000 0.924660000 -2.499355000 C -5.668517000 0.745672000 1.404165000 H -5.870525000 0.702938000 2.470379000 C -5.870180000 1.895288000 0.691428000 H -6.228905000 2.787176000 1.197102000 C -5.660174000 1.953867000 -0.732620000 H -5.906134000 2.873746000 -1.254810000 Prod[5,6] E=-2634.275165 Pro-int[6,6] E=-2634.258049 C -2.220828000 1.118925000 0.908628000 C -2.539482000 0.157557000 -0.103788000 C -2.563126000 -1.337016000 0.164252000 C -1.762028000 -1.655085000 1.442798000 C -1.469855000 -0.708310000 2.405605000 C -1.718863000 0.723705000 2.154599000 C -1.688449000 2.316668000 0.262601000 C -1.657101000 2.060579000 -1.162330000 C -2.169983000 0.708072000 -1.372374000 C -1.618133000 -0.093368000 -2.380404000 C -1.713304000 -2.076172000 -0.887782000 C -0.831257000 -2.718587000 1.191291000 C 0.338456000 -2.849171000 1.952088000 C 0.634145000 -1.870262000 2.973608000 C -0.252952000 -0.810803000 3.185487000 C 0.256138000 0.531633000 3.411380000 C -0.650340000 1.474873000 2.770381000 C -0.132643000 2.620773000 2.149288000 C -0.667300000 3.046079000 0.865246000 C -0.605791000 2.540974000 -1.937754000 C 0.464575000 3.303518000 -1.313091000 C 0.434550000 3.550708000 0.059807000 C 1.651544000 3.432660000 0.847499000 C 1.297302000 2.856633000 2.138477000 C 2.164233000 1.951793000 2.757819000 C 1.630068000 0.766211000 3.410252000 C 2.555108000 -0.334774000 3.176250000 C 2.067193000 -1.624920000 2.963596000 C -0.800638000 -2.977235000 -0.241566000 C 3.745323000 -2.236179000 -0.274422000 C 2.719805000 -2.968020000 -0.874028000 C 2.179795000 -2.546844000 -2.158280000 C 2.686299000 -1.408193000 -2.786306000 C 3.753898000 -0.647516000 -2.163071000 C 4.570238000 -0.063453000 0.092081000 C 4.223233000 -0.635257000 1.382647000 C 3.714247000 -1.978429000 1.157639000 C 2.658492000 -2.462889000 1.930687000 C 1.587112000 -3.220371000 1.303501000 C 1.616948000 -3.467512000 -0.068524000 C 0.746818000 -2.791804000 -2.143477000 C -0.122388000 -1.879726000 -2.749445000 C 0.406172000 -0.696201000 -3.407371000 C 1.780598000 -0.465122000 -3.428571000 C 2.295471000 0.877421000 -3.208195000 C 3.511754000 0.765850000 -2.422657000 C 3.799734000 1.713919000 -1.440182000 C 4.335386000 1.291230000 -0.157036000 C 3.653505000 0.169074000 2.371938000 C 3.410950000 1.581797000 2.111824000 C 3.748761000 2.130483000 0.874302000 C 2.848518000 3.074736000 0.228846000 C 2.879918000 2.817163000 -1.203384000 C 1.712830000 2.927170000 -1.957659000 C 1.409961000 1.934569000 -2.980694000 C -0.019935000 1.698740000 -2.969493000 C -0.519459000 0.404405000 -3.174903000 C 0.399653000 -3.355547000 -0.858424000 C -1.369511000 -1.520851000 -2.105368000 C 4.273914000 -1.052090000 -0.931602000 C -5.776745000 -0.460347000 -0.647701000 C -4.040386000 -1.888984000 0.251123000 C -4.805576000 -1.175619000 1.333692000 C -5.745209000 -0.292316000 0.770243000 H -4.559930000 -1.250021000 2.386379000 H -3.950686000 -2.966507000 0.434647000 C -4.850277000 -1.586682000 -1.043287000 H -5.426994000 -2.473391000 -1.336136000 H -4.210441000 -1.335392000 -1.894687000 C -6.591101000 0.332642000 -1.433663000 H -6.609276000 0.210662000 -2.513786000 C -6.573253000 0.679746000 1.378123000 H -6.557258000 0.815353000 2.455800000 C -7.389201000 1.465864000 0.574139000 H -8.023560000 2.221883000 1.028538000 C -7.400858000 1.303482000 -0.820090000 H -8.041897000 1.933405000 -1.429640000 TS[6,6] E=-2634.214836 C -2.494247000 0.962215000 0.405901000 C -2.789948000 -0.198282000 -0.436968000 C -2.576403000 -1.612311000 0.123901000 C -1.889789000 -1.621307000 1.496149000 C -1.770350000 -0.469463000 2.294332000 C -2.074473000 0.825715000 1.757770000 C -1.994408000 2.027873000 -0.391981000 C -1.803130000 1.524964000 -1.745153000 C -2.202479000 0.139646000 -1.757225000 C -1.501692000 -0.775071000 -2.525790000 C -1.595647000 -2.444693000 -0.702152000 C -0.882638000 -2.611691000 1.531823000 C 0.229423000 -2.500209000 2.404915000 C 0.353822000 -1.318840000 3.243641000 C -0.618737000 -0.324530000 3.185589000 C -0.230629000 1.073581000 3.207198000 C -1.124108000 1.784004000 2.311963000 C -0.637096000 2.826329000 1.525096000 C -1.082426000 2.969016000 0.137876000 C -0.723060000 1.962545000 -2.514904000 C 0.227001000 2.916723000 -1.956269000 C 0.036229000 3.400980000 -0.644003000 C 1.185488000 3.546942000 0.249214000 C 0.759925000 3.200933000 1.594720000 C 1.628449000 2.508258000 2.450881000 C 1.123697000 1.427067000 3.274800000 C 2.137690000 0.388272000 3.326681000 C 1.761260000 -0.958272000 3.315568000 C -0.687935000 -3.123511000 0.178062000 C 3.774399000 -2.002861000 0.389810000 C 2.858845000 -2.928077000 -0.142445000 C 2.416869000 -2.793034000 -1.527070000 C 2.898470000 -1.750413000 -2.315651000 C 3.846831000 -0.793269000 -1.761834000 C 4.401229000 0.258010000 0.408014000 C 3.980932000 -0.092544000 1.756265000 C 3.583490000 -1.491044000 1.741878000 C 2.497519000 -1.912741000 2.505518000 C 1.538542000 -2.860696000 1.944239000 C 1.730067000 -3.358979000 0.639474000 C 1.012270000 -3.162827000 -1.591954000 C 0.140698000 -2.464264000 -2.437301000 C 0.645390000 -1.379136000 -3.259216000 C 1.998466000 -1.031936000 -3.204023000 C 2.389733000 0.367626000 -3.190076000 C 3.537191000 0.508105000 -2.299661000 C 3.653806000 1.651279000 -1.493166000 C 4.094987000 1.516008000 -0.110612000 C 3.270489000 0.826931000 2.529665000 C 2.953712000 2.141378000 1.987502000 C 3.361312000 2.476167000 0.694538000 C 2.456073000 3.192069000 -0.193674000 C 2.648907000 2.684692000 -1.547045000 C 1.544983000 2.554695000 -2.409035000 C 1.420493000 1.367297000 -3.246246000 C 0.013294000 1.007838000 -3.315122000 C -0.368168000 -0.340467000 -3.316524000 C 0.586676000 -3.502243000 -0.255094000 C -1.185973000 -2.107033000 -1.977507000 C 4.274799000 -0.925951000 -0.426969000 C -4.801480000 -0.319715000 -0.667863000 C -4.043558000 -2.305703000 0.178771000 C -4.793547000 -1.591189000 1.254940000 C -5.163684000 -0.366913000 0.759813000 H -4.829138000 -1.901383000 2.292505000 H -3.945783000 -3.386387000 0.281952000 C -4.699140000 -1.768353000 -1.107202000 H -5.696454000 -2.199620000 -1.252934000 H -4.102688000 -1.926194000 -2.009015000 C -5.198145000 0.820956000 -1.437661000 H -5.056666000 0.821007000 -2.513885000 C -5.642727000 0.817959000 1.399437000 H -5.825986000 0.821406000 2.469627000 C -5.838091000 1.941282000 0.642710000 H -6.173401000 2.859713000 1.115268000 C -5.642145000 1.935889000 -0.781785000 H -5.875483000 2.837404000 -1.340356000 Prod[6,6] E=-2634.265379 C60 + isoindene S=0 Indene symm (C9H8) E=-347.7586564 G=-347.649589 C -2.162417000 0.725394000 0.000000000 C -1.006866000 1.441145000 0.000000000 C -2.162289000 -0.725586000 0.000000000 C 0.253734000 0.742007000 0.000000000 C -1.006625000 -1.441300000 0.000000000 C 0.254022000 -0.742096000 0.000000000 H -3.119927000 1.239038000 0.000000000 H -1.019519000 2.527809000 0.000000000 H -3.119747000 -1.239359000 0.000000000 H -1.019210000 -2.527980000 0.000000000 C 1.540355000 1.186491000 0.000000000 C 2.461253000 0.000437000 0.000000000 H 3.129564000 0.000033000 -0.876160000 C 1.540821000 -1.186481000 0.000000000 H 1.874496000 -2.217257000 0.000000000 H 1.872846000 2.217626000 0.000000000 H 3.129564000 0.000033000 0.876160000 Pre-complex E=-2634.249165 G=-2633.806112 C -5.623022000 -0.290015000 0.730351000 C -5.560607000 -0.282912000 -0.750208000 C -5.610950000 0.976472000 -1.446458000 C -5.710249000 2.127525000 -0.728397000 C -5.771299000 2.120759000 0.719525000 C -5.731548000 0.962949000 1.432104000 C -5.522767000 -1.574953000 1.173052000 C -5.420883000 -1.563410000 -1.195737000 H -5.555282000 0.993927000 -2.531310000 H -5.738146000 3.085718000 -1.239521000 H -5.843900000 3.074184000 1.235185000 H -5.769123000 0.969941000 2.517889000 C -2.416410000 -0.867975000 0.649523000 C -2.314953000 -1.120520000 -0.780286000 C -2.265609000 0.165883000 -1.460082000 C -1.542205000 -2.184532000 -1.246535000 C -1.454624000 0.334656000 -2.579476000 C -2.345200000 1.211527000 -0.452437000 C -0.690225000 -2.007468000 -2.414181000 C -0.840453000 -3.041518000 -0.304347000 C -2.436001000 0.573277000 0.851157000 C -1.744884000 -1.690631000 1.552816000 C -0.647420000 -0.775486000 -3.066661000 C -0.681647000 1.557612000 -2.739379000 C -1.606744000 2.384405000 -0.604634000 C 0.537516000 -2.754808000 -2.192322000 C 0.445233000 -3.393720000 -0.888291000 C -0.940300000 -2.800164000 1.067285000 C -1.786261000 1.132836000 1.949637000 C -1.062712000 -1.106379000 2.698504000 C 0.623810000 -0.238445000 -3.524395000 C 0.603013000 1.202713000 -3.322226000 C -0.755624000 2.560279000 -1.772083000 C -0.925319000 2.967778000 0.540858000 C 1.757506000 -2.240955000 -2.633533000 C 1.576781000 -3.491302000 -0.078535000 C 0.240941000 -2.901264000 1.911330000 C -1.083707000 0.274453000 2.893518000 C -1.013100000 2.354921000 1.791492000 C 0.164452000 -1.854818000 2.920018000 C 1.801653000 -0.956018000 -3.313846000 C 1.760978000 1.866499000 -2.916608000 C 0.452051000 3.251349000 -1.347921000 C 0.347455000 3.502794000 0.081629000 C 2.937463000 -2.342829000 -1.788432000 C 1.472565000 -3.239984000 1.350886000 C 2.848857000 -2.954886000 -0.538029000 C 0.123821000 0.966474000 3.316339000 C 0.167713000 2.252127000 2.635571000 C 1.322354000 -1.191329000 3.326676000 C 3.009019000 -0.263286000 -2.890073000 C 2.988525000 1.117652000 -2.695059000 C 1.683953000 2.912591000 -1.908447000 C 1.479210000 3.405009000 0.891234000 C 3.711070000 -1.120792000 -1.947061000 C 2.680061000 -2.547605000 1.774794000 C 3.530152000 -2.371136000 0.607264000 C 1.301452000 0.249052000 3.528436000 C 1.387455000 2.766105000 2.195027000 C 2.606998000 -1.545452000 2.742349000 C 3.670599000 1.701471000 -1.550180000 C 2.864179000 2.810502000 -1.063701000 C 2.763826000 3.051517000 0.306699000 C 4.364053000 -0.561309000 -0.848739000 C 4.272161000 -1.199979000 0.455350000 C 2.573054000 0.785904000 3.069034000 C 2.615507000 2.018091000 2.416856000 C 3.379905000 -0.323027000 2.582859000 C 4.343330000 0.879282000 -0.646189000 C 3.465991000 2.194107000 1.249332000 C 4.194993000 -0.154184000 1.463882000 C 4.239022000 1.130956000 0.782934000 C -5.395753000 -2.487075000 -0.012611000 H -5.524413000 -1.910167000 2.203043000 H -5.338801000 -1.888553000 -2.225563000 H -6.212967000 -3.224860000 -0.051515000 H -4.466592000 -3.076345000 0.024448000 TS[5,6] E=-2634.247916 G=-2633.782191 C 5.274531000 -0.358578000 -0.721463000 C 5.274469000 -0.358581000 0.721462000 C 5.734217000 0.779118000 1.427100000 C 6.203783000 1.858814000 0.711714000 C 6.203826000 1.858817000 -0.711664000 C 5.734319000 0.779121000 -1.427079000 C 4.632258000 -1.536992000 -1.167296000 C 4.632135000 -1.537002000 1.167259000 H 5.716904000 0.793139000 2.513006000 H 6.575327000 2.734201000 1.236433000 H 6.575402000 2.734207000 -1.236357000 H 5.717073000 0.793135000 -2.512987000 C 2.558599000 -0.938017000 -0.755403000 C 2.558552000 -0.938326000 0.755531000 C 2.383910000 0.474977000 1.173043000 C 1.708137000 -1.883295000 1.420210000 C 1.647276000 0.827937000 2.292819000 C 2.359957000 1.321109000 0.000511000 C 0.927058000 -1.509463000 2.596379000 C 0.986546000 -2.876799000 0.709418000 C 2.384083000 0.475452000 -1.172366000 C 1.708311000 -1.882699000 -1.420590000 C 0.900988000 -0.192810000 3.034862000 C 0.854620000 2.042696000 2.295419000 C 1.607644000 2.504996000 0.000697000 C -0.288900000 -2.302688000 2.607685000 C -0.261707000 -3.148793000 1.429199000 C 0.986643000 -2.876521000 -0.710323000 C 1.647607000 0.828875000 -2.292104000 C 0.927427000 -1.508395000 -2.596736000 C -0.346208000 0.400706000 3.483472000 C -0.374957000 1.782659000 3.029424000 C 0.839734000 2.874628000 1.174689000 C 0.839907000 2.875109000 -1.173258000 C -1.490574000 -1.738397000 3.043107000 C -1.437178000 -3.400166000 0.731368000 C -0.261499000 -3.148213000 -1.430400000 C 0.901432000 -0.191561000 -3.034682000 C 0.854957000 2.043639000 -2.294327000 C -0.288522000 -2.301621000 -2.608548000 C -1.520245000 -0.356399000 3.490661000 C -1.573303000 2.353247000 2.601814000 C -0.410907000 3.467455000 0.728838000 C -0.410801000 3.467754000 -0.727350000 C -2.718139000 -2.000446000 2.311806000 C -1.437074000 -3.399871000 -0.732849000 C -2.689685000 -2.815280000 1.177665000 C -0.345697000 0.402137000 -3.483237000 C -0.374509000 1.783905000 -3.028626000 C -1.490129000 -1.737153000 -3.043917000 C -2.768665000 0.238553000 3.036745000 C -2.795567000 1.563237000 2.604651000 C -1.592401000 3.210728000 1.425377000 C -1.592190000 3.211315000 -1.424174000 C -3.511157000 -0.780539000 2.307910000 C -2.689512000 -2.814795000 -1.179091000 C -3.461691000 -2.451374000 -0.000696000 C -1.519730000 -0.354969000 -3.490902000 C -1.572918000 2.354318000 -2.600959000 C -2.717806000 -1.999502000 -2.312909000 C -3.566419000 1.930226000 1.424968000 C -2.823724000 2.946840000 0.699360000 C -2.823622000 2.947127000 -0.698446000 C -4.247579000 -0.430252000 1.177133000 C -4.226193000 -1.284525000 -0.000512000 C -2.768214000 0.239799000 -3.036925000 C -2.795179000 1.564306000 -2.604297000 C -3.510821000 -0.779595000 -2.308627000 C -4.277654000 0.953854000 0.726514000 C -3.566209000 1.930810000 -1.424581000 C -4.247404000 -0.429770000 -1.177810000 C -4.277542000 0.954149000 -0.726630000 C 4.611612000 -2.494519000 -0.000029000 H 4.593137000 -1.858247000 -2.201725000 H 4.593082000 -1.858296000 2.201680000 H 5.559183000 -3.060203000 0.000010000 H 3.796041000 -3.220965000 -0.000084000 Prod[5,6] E=-2634.294613 G=-2633.822328 C 2.738389000 -0.980575000 -0.821330000 C 2.738397000 -0.980699000 0.821268000 C 1.713684000 -1.894826000 1.434312000 C 0.992391000 -2.838028000 0.722213000 C 0.992394000 -2.837899000 -0.722599000 C 1.713679000 -1.894573000 -1.434505000 C 2.394840000 0.466059000 -1.176028000 C 2.341974000 1.287479000 0.000123000 C 2.394805000 0.465873000 1.176182000 C 1.650742000 0.821057000 2.284946000 C 0.925621000 -1.512452000 2.608868000 C -0.268995000 -3.125259000 1.435871000 C -1.437377000 -3.372834000 0.736465000 C -1.437353000 -3.372711000 -0.737013000 C -0.268958000 -3.125024000 -1.436344000 C -0.296755000 -2.295705000 -2.619308000 C 0.925703000 -1.512067000 -2.609051000 C 0.900897000 -0.198346000 -3.042581000 C 1.650820000 0.821439000 -2.284765000 C 1.602792000 2.488839000 0.000203000 C 0.844926000 2.868029000 -1.169592000 C 0.857048000 2.029642000 -2.286031000 C -0.371057000 1.779346000 -3.026253000 C -0.346049000 0.400962000 -3.486648000 C -1.525352000 -0.349320000 -3.499580000 C -1.499849000 -1.730588000 -3.054074000 C -2.723689000 -1.987497000 -2.318461000 C -2.692025000 -2.800149000 -1.180554000 C -0.296828000 -2.296124000 2.618986000 C -4.246810000 -0.416378000 1.178143000 C -3.515662000 -0.767357000 2.311768000 C -2.771109000 0.250331000 3.042102000 C -2.792325000 1.573233000 2.607088000 C -3.560210000 1.942341000 1.425117000 C -4.273900000 0.967604000 -0.725835000 C -4.246768000 -0.416186000 -1.178278000 C -4.226242000 -1.270791000 -0.000133000 C -3.462424000 -2.437051000 -0.000224000 C -2.692054000 -2.800334000 1.180060000 C -2.723754000 -1.987860000 2.318106000 C -1.525453000 -0.349863000 3.499528000 C -0.346160000 0.400432000 3.486707000 C -0.371143000 1.778888000 3.026532000 C -1.566308000 2.357728000 2.602588000 C -1.583366000 3.216504000 1.425939000 C -2.814069000 2.954848000 0.700417000 C -2.814052000 2.954951000 -0.700008000 C -3.560187000 1.942555000 -1.424887000 C -3.515596000 -0.766993000 -2.311946000 C -2.771048000 0.250802000 -3.042141000 C -2.792272000 1.573637000 -2.606912000 C -1.566228000 2.358117000 -2.602243000 C -1.583325000 3.216724000 -1.425463000 C -0.401950000 3.470463000 -0.728153000 C -0.401970000 3.470338000 0.728701000 C 0.844885000 2.867840000 1.170068000 C 0.856970000 2.029286000 2.286357000 C -1.499942000 -1.731068000 3.053788000 C 0.900818000 -0.198811000 3.042597000 C -4.273901000 0.967488000 0.725897000 C 5.134528000 -0.294615000 0.703300000 C 4.467778000 -2.445126000 -0.000122000 C 4.230118000 -1.424365000 -1.137089000 C 5.134526000 -0.294541000 -0.703310000 H 4.347303000 -1.773499000 -2.163697000 H 5.487557000 -2.840511000 -0.000149000 C 4.230139000 -1.424500000 1.136966000 H 4.347313000 -1.773752000 2.163532000 C 5.802809000 0.690554000 1.415621000 H 5.787262000 0.705749000 2.502014000 C 5.802840000 0.690671000 -1.415530000 H 5.787410000 0.705902000 -2.501925000 C 6.504636000 1.669127000 -0.698455000 H 7.052148000 2.438641000 -1.235151000 C 6.504531000 1.669134000 0.698645000 H 7.051783000 2.438785000 1.235411000 H 3.752215000 -3.272164000 -0.000178000 TS[6,6] E=-2634.264395 G=-2633.798611 C 5.320997000 -0.362890000 -0.726826000 C 5.321020000 -0.362888000 0.726811000 C 5.727951000 0.805013000 1.431222000 C 6.132088000 1.903226000 0.715465000 C 6.132066000 1.903229000 -0.715486000 C 5.727907000 0.805021000 -1.431239000 C 4.780180000 -1.567183000 -1.173259000 C 4.780203000 -1.567168000 1.173264000 H 5.714528000 0.817829000 2.517150000 H 6.452586000 2.800555000 1.236780000 H 6.452548000 2.800562000 -1.236805000 H 5.714465000 0.817847000 -2.517166000 C 2.491018000 -0.935911000 -0.715016000 C 2.491090000 -0.935649000 0.715009000 C 1.474822000 0.102587000 -2.591525000 C 2.200551000 1.538576000 -0.734459000 C 0.582683000 1.080961000 -3.035540000 C 1.082765000 -1.297215000 -2.591935000 C 1.262298000 2.551930000 -1.179509000 C 2.200628000 1.538851000 0.733542000 C 1.667590000 -1.925407000 -1.421779000 C 2.296804000 0.335893000 -1.421776000 C 0.471494000 2.333083000 -2.312116000 C -0.747045000 0.695790000 -3.486439000 C -0.188588000 -1.667569000 -3.033543000 C 0.681985000 3.178623000 -0.000689000 C 1.262426000 2.552379000 1.178308000 C 2.296973000 0.336431000 1.421313000 C 0.953629000 -2.899786000 -0.732121000 C 1.667734000 -1.924865000 1.422239000 C -0.928532000 2.725557000 -2.308530000 C -1.682236000 1.714641000 -3.036019000 C -1.123943000 -0.646814000 -3.485571000 C -0.936302000 -2.678807000 -2.309980000 C -0.659683000 3.559765000 -0.000689000 C 0.471747000 2.333964000 2.311084000 C 1.475110000 0.103574000 2.591237000 C 0.953703000 -2.899507000 0.733033000 C -0.375618000 -3.276898000 -1.177645000 C 1.083048000 -1.296228000 2.592224000 C -1.482847000 3.327384000 -1.178294000 C -2.956511000 1.347836000 -2.602632000 C -2.452720000 -1.029667000 -3.035183000 C -2.335744000 -2.284907000 -2.306901000 C -1.482719000 3.327836000 1.177094000 C 0.583012000 1.082117000 3.034969000 C -0.928280000 2.726444000 2.307500000 C -0.375493000 -3.276447000 1.178846000 C -1.196905000 -3.510046000 0.000690000 C -0.188258000 -1.666411000 3.034113000 C -2.811427000 2.946394000 -0.728463000 C -3.533751000 1.977056000 -1.425356000 C -3.350298000 -0.053212000 -2.602639000 C -3.122934000 -2.510227000 -1.176999000 C -2.811352000 2.946677000 0.727555000 C -0.746666000 0.697119000 3.486162000 C -1.681904000 1.715800000 3.035451000 C -0.936052000 -2.677920000 2.311014000 C -2.540924000 -3.136070000 0.000691000 C -1.123565000 -0.645484000 3.485850000 C -4.284477000 0.965468000 -0.697502000 C -4.170361000 -0.289459000 -1.424753000 C -4.059176000 -1.492835000 -0.727614000 C -3.533598000 1.977601000 1.424895000 C -2.956226000 1.348829000 2.602346000 C -2.335493000 -2.284024000 2.307935000 C -3.122806000 -2.509775000 1.178203000 C -2.452392000 -1.028510000 3.035755000 C -4.284398000 0.965735000 0.697507000 C -4.059095000 -1.492555000 0.728532000 C -3.350011000 -0.052217000 2.602930000 C -4.170201000 -0.288914000 1.425223000 C 4.700223000 -2.503214000 0.000011000 H 4.711127000 -1.883845000 -2.206788000 H 4.711152000 -1.883817000 2.206797000 H 5.616771000 -3.121230000 0.000012000 H 3.855541000 -3.196164000 0.000027000 Prod[6,6] E=-2634.326798 G=-2633.853285 C -2.319876000 0.339270000 -1.439667000 C -2.718104000 -0.990570000 -0.806230000 C -2.718104000 -0.990619000 0.806208000 C -2.319853000 0.339161000 1.439738000 C -2.207060000 1.520512000 0.741305000 C -2.207077000 1.520575000 -0.741143000 C -1.479255000 0.110028000 -2.583372000 C -1.084742000 -1.288498000 -2.582323000 C -1.682361000 -1.923432000 -1.436801000 C -0.965949000 -2.871626000 -0.741450000 C -1.682342000 -1.923538000 1.436686000 C -1.479216000 0.109835000 2.583416000 C -0.588582000 1.087946000 3.038294000 C -0.480869000 2.333737000 2.315461000 C -1.270534000 2.535631000 1.177874000 C -0.692506000 3.161688000 0.000133000 C -1.270556000 2.535725000 -1.177648000 C -0.480903000 2.333915000 -2.315258000 C -0.588627000 1.088179000 -3.038188000 C 0.185810000 -1.656914000 -3.036597000 C 1.119493000 -0.635904000 -3.491224000 C 0.740983000 0.705312000 -3.491255000 C 1.673800000 1.725774000 -3.040503000 C 0.916512000 2.733327000 -2.311730000 C 1.468269000 3.332704000 -1.178365000 C 0.643870000 3.558870000 0.000140000 C 1.468285000 3.332613000 1.178616000 C 0.916547000 2.733151000 2.311943000 C -1.084714000 -1.288694000 2.582251000 C 3.344145000 -0.040768000 2.605383000 C 2.448271000 -1.018325000 3.040614000 C 2.330040000 -2.273183000 2.311559000 C 3.114096000 -2.496140000 1.178453000 C 4.048847000 -1.480653000 0.728711000 C 4.272326000 0.977555000 0.697533000 C 3.521653000 1.988551000 1.426309000 C 2.948395000 1.360233000 2.605115000 C 1.673843000 1.725540000 3.040629000 C 0.741035000 0.705038000 3.491310000 C 1.119545000 -0.636177000 3.491171000 C 0.930122000 -2.662987000 2.314572000 C 0.363151000 -3.248582000 1.177571000 C 1.182623000 -3.480548000 -0.000137000 C 2.529409000 -3.119380000 -0.000134000 C 3.114077000 -2.496049000 -1.178680000 C 4.048835000 -1.480596000 -0.728873000 C 4.160903000 -0.276567000 -1.426049000 C 4.272315000 0.977607000 -0.697507000 C 2.795758000 2.955494000 0.728857000 C 2.795749000 2.955552000 -0.728656000 C 3.521633000 1.988660000 -1.426192000 C 2.948359000 1.360435000 -2.605039000 C 3.344105000 -0.040566000 -2.605421000 C 2.448227000 -1.018088000 -3.040719000 C 2.330008000 -2.273003000 -2.311759000 C 0.930089000 -2.662809000 -2.314785000 C 0.363138000 -3.248488000 -1.177818000 C 0.185852000 -1.657145000 3.036471000 C -0.965944000 -2.871692000 0.741252000 C 4.160926000 -0.276677000 1.425980000 C -5.104667000 -0.297856000 -0.702840000 C -4.456101000 -2.454202000 -0.000026000 C -4.204731000 -1.434763000 1.132580000 C -5.104772000 -0.297953000 0.702831000 H -4.313796000 -1.779264000 2.161883000 H -5.480741000 -2.836002000 -0.000032000 C -4.204717000 -1.434723000 -1.132610000 H -4.313782000 -1.779179000 -2.161928000 C -5.776953000 0.683750000 -1.415779000 H -5.763543000 0.697821000 -2.502206000 C -5.777080000 0.683623000 1.415789000 H -5.763556000 0.697750000 2.502214000 C -6.481623000 1.660025000 0.698497000 H -7.031145000 2.428030000 1.235281000 C -6.481728000 1.659967000 -0.698467000 H -7.031665000 2.427686000 -1.235234000 H -3.750772000 -3.290435000 -0.000017000 S=1 Pre-complex E=-2634.227761 G=-2633.765911 C -1.734716000 -0.919767000 -2.135087000 C -2.373613000 -0.923791000 -0.830487000 C -2.570843000 0.278285000 -0.151679000 C -2.157640000 1.534892000 -0.750701000 C -1.547316000 1.539680000 -2.004906000 C -1.329929000 0.286485000 -2.711974000 C -0.873498000 -2.090546000 -2.216085000 C -0.983160000 -2.818906000 -0.960213000 C -1.910703000 -2.098067000 -0.103351000 C -1.677592000 -2.020123000 1.270501000 C -2.332856000 0.358556000 1.277706000 C -1.655299000 2.394744000 0.309983000 C -0.556038000 3.220832000 0.075598000 C 0.085956000 3.222390000 -1.230822000 C -0.399213000 2.400385000 -2.248607000 C 0.528600000 1.678162000 -3.105217000 C -0.046304000 0.371593000 -3.389981000 C 0.779236000 -0.750990000 -3.468401000 C 0.356816000 -2.007327000 -2.868022000 C 0.141820000 -3.434968000 -0.409267000 C 1.424445000 -3.347169000 -1.090348000 C 1.529498000 -2.648777000 -2.293358000 C 2.676496000 -1.788264000 -2.538058000 C 2.212620000 -0.615349000 -3.264104000 C 2.764089000 0.637001000 -2.991091000 C 1.904012000 1.807685000 -2.909771000 C 2.410234000 2.664763000 -1.848351000 C 1.519977000 3.355669000 -1.026095000 C -1.764205000 1.666332000 1.565766000 C 2.779048000 2.094181000 2.212358000 C 1.548650000 2.011741000 2.864278000 C 1.125059000 0.754933000 3.464231000 C 1.950747000 -0.367400000 3.387285000 C 3.232998000 -0.281116000 2.706025000 C 4.280420000 0.927223000 0.825797000 C 3.817349000 2.100156000 0.099747000 C 2.889192000 2.821457000 0.956944000 C 1.764840000 3.436718000 0.406037000 C 0.481914000 3.352198000 1.087003000 C 0.376837000 2.654236000 2.290717000 C -0.308308000 0.620133000 3.263060000 C -0.859795000 -0.632757000 2.988145000 C 0.001257000 -1.803322000 2.906325000 C 1.376714000 -1.672941000 3.101620000 C 2.304807000 -2.394514000 2.243909000 C 3.452272000 -1.533990000 1.999641000 C 4.067108000 -1.530245000 0.747613000 C 4.489924000 -0.274020000 0.148139000 C 3.582587000 2.022962000 -1.273148000 C 3.801203000 0.770009000 -1.979670000 C 4.245687000 -0.354425000 -1.283661000 C 3.671893000 -1.660534000 -1.569291000 C 3.561576000 -2.387459000 -0.313592000 C 2.462197000 -3.213001000 -0.079189000 C 1.819986000 -3.216217000 1.226659000 C 0.385966000 -3.352546000 1.021979000 C -0.504772000 -2.660871000 1.844651000 C -0.770722000 1.793730000 2.535727000 C -1.899327000 -0.767241000 1.979116000 C 3.639225000 0.923690000 2.131402000 C -5.545109000 -1.575771000 -1.164408000 C -5.430702000 -1.576112000 1.179443000 H -5.562806000 -1.887606000 -2.202110000 H -5.338189000 -1.887902000 2.213020000 C -5.439772000 -2.522696000 0.004879000 H -6.273556000 -3.246931000 0.044052000 H -4.524086000 -3.139528000 -0.038310000 C -5.602170000 -0.231078000 -0.711058000 C -5.522720000 -0.232938000 0.734258000 C -5.655321000 0.974813000 -1.405322000 H -5.699193000 0.986582000 -2.490508000 C -5.492113000 0.975635000 1.430358000 C -5.623891000 2.187430000 -0.679958000 H -5.414128000 0.986405000 2.513398000 H -5.655079000 3.129964000 -1.218190000 C -5.545493000 2.187962000 0.707259000 H -5.513671000 3.130487000 1.245349000 TSbir[5,6] E=-2634.226205 G=-2633.763378 C -2.526624000 -0.256340000 0.528094000 C -2.419097000 -0.981901000 -0.743037000 C -1.708023000 -2.205652000 -0.754981000 C -1.188004000 -2.767371000 0.475965000 C -1.354532000 -2.092793000 1.689362000 C -2.039945000 -0.803441000 1.709235000 C -2.380807000 1.160231000 0.267953000 C -2.116408000 1.330581000 -1.152807000 C -2.104662000 0.017167000 -1.767988000 C -1.202377000 -0.265763000 -2.789645000 C -0.759657000 -2.492979000 -1.813971000 C 0.079890000 -3.419619000 0.177972000 C 1.127966000 -3.362684000 1.096416000 C 0.955890000 -2.654571000 2.356025000 C -0.261912000 -2.029824000 2.640766000 C -0.274321000 -0.708873000 3.255687000 C -1.376414000 0.046342000 2.681852000 C -1.233785000 1.414783000 2.433191000 C -1.749900000 1.985056000 1.203103000 C -1.227610000 2.317305000 -1.586815000 C -0.560452000 3.169658000 -0.611339000 C -0.814472000 3.005896000 0.750319000 C 0.279560000 3.066260000 1.706924000 C 0.020922000 2.080605000 2.746332000 C 1.078063000 1.355871000 3.297757000 C 0.927430000 -0.068780000 3.558415000 C 2.193776000 -0.718242000 3.259543000 C 2.205830000 -1.983648000 2.668228000 C 0.345092000 -3.249558000 -1.240832000 C 4.313844000 -1.129057000 -0.246154000 C 3.674327000 -1.946077000 -1.178356000 C 3.155838000 -1.375345000 -2.412273000 C 3.300253000 -0.009484000 -2.663230000 C 3.966336000 0.841684000 -1.690520000 C 4.291487000 1.004177000 0.750553000 C 4.034487000 0.019998000 1.789687000 C 4.047757000 -1.298621000 1.174124000 C 3.153649000 -2.278531000 1.604297000 C 2.487673000 -3.132097000 0.632114000 C 2.742017000 -2.968878000 -0.729441000 C 1.905148000 -2.044924000 -2.726683000 C 0.844221000 -1.321304000 -3.277532000 C 0.994853000 0.103995000 -3.537160000 C 2.196967000 0.744637000 -3.237407000 C 2.183972000 2.063931000 -2.621582000 C 3.278156000 2.124156000 -1.666601000 C 3.114014000 2.804546000 -0.459284000 C 3.631712000 2.233818000 0.774289000 C 3.126067000 0.303036000 2.810010000 C 2.437070000 1.585448000 2.835118000 C 2.685343000 2.530132000 1.838446000 C 1.583793000 3.285675000 1.262467000 C 1.849037000 3.455613000 -0.157829000 C 0.798850000 3.399230000 -1.074880000 C 0.970006000 2.689015000 -2.334257000 C -0.283568000 2.021702000 -2.648362000 C -0.270955000 0.754242000 -3.238394000 C 1.648065000 -3.028906000 -1.686801000 C -0.512441000 -1.552702000 -2.817218000 C 4.463318000 0.294627000 -0.507699000 C -5.317547000 -0.224953000 -0.749162000 C -4.995909000 -2.536189000 -0.174065000 C -5.546691000 -1.753069000 0.988804000 C -5.748954000 -0.401895000 0.616336000 H -5.769575000 -2.178327000 1.959916000 H -5.711664000 -3.295886000 -0.539022000 C -4.759360000 -1.460542000 -1.209523000 H -4.514313000 -1.674166000 -2.242325000 C -5.409229000 1.021111000 -1.361135000 H -5.072503000 1.160576000 -2.383818000 C -6.256497000 0.690708000 1.329730000 H -6.580163000 0.574008000 2.359865000 C -6.344778000 1.939120000 0.692900000 H -6.738073000 2.789834000 1.241694000 C -5.934995000 2.104653000 -0.629607000 H -6.009391000 3.080563000 -1.099270000 H -4.080828000 -3.098983000 0.070295000 Proint[5,6] E=-2634.258969 G=-2633.794332 C -2.476829000 -0.546401000 0.736558000 C -2.695140000 -0.833660000 -0.764176000 C -1.743511000 -1.922524000 -1.227474000 C -1.096643000 -2.822079000 -0.318974000 C -1.151965000 -2.620295000 1.066097000 C -1.848995000 -1.432288000 1.591088000 C -2.326317000 0.864946000 0.951601000 C -2.198729000 1.519143000 -0.341878000 C -2.270010000 0.518770000 -1.368824000 C -1.465223000 0.631023000 -2.485097000 C -0.906407000 -1.780207000 -2.381645000 C 0.142420000 -3.294678000 -0.931482000 C 1.272906000 -3.515761000 -0.149419000 C 1.218877000 -3.285518000 1.285959000 C 0.025739000 -2.839659000 1.872449000 C 0.068410000 -1.807706000 2.899546000 C -1.088176000 -0.944787000 2.723125000 C -0.980191000 0.428452000 2.961864000 C -1.614948000 1.356999000 2.054468000 C -1.375306000 2.642790000 -0.483988000 C -0.622008000 3.137411000 0.658771000 C -0.738492000 2.508847000 1.898192000 C 0.444215000 2.284943000 2.713937000 C 0.295415000 0.994378000 3.370476000 C 1.406179000 0.165874000 3.535504000 C 1.289058000 -1.266902000 3.299895000 C 2.524587000 -1.725829000 2.683736000 C 2.486117000 -2.713580000 1.695401000 C 0.261941000 -2.643524000 -2.219114000 C 4.288756000 -0.831014000 -0.926611000 C 3.566999000 -1.306729000 -2.020373000 C 2.919479000 -0.370100000 -2.929131000 C 3.030099000 1.005072000 -2.705808000 C 3.783887000 1.498495000 -1.567059000 C 4.349412000 0.830227000 0.739771000 C 4.205040000 -0.458204000 1.396335000 C 4.167214000 -1.486702000 0.367144000 C 3.329841000 -2.591314000 0.513871000 C 2.578887000 -3.089753000 -0.628171000 C 2.694501000 -2.460773000 -1.868363000 C 1.651883000 -0.942557000 -3.337902000 C 0.528809000 -0.119029000 -3.498934000 C 0.646411000 1.313570000 -3.261363000 C 1.868757000 1.864194000 -2.879360000 C 1.911335000 2.895028000 -1.851041000 C 3.092736000 2.667074000 -1.039214000 C 3.048999000 2.889865000 0.338560000 C 3.689114000 1.952300000 1.246682000 C 3.399839000 -0.577264000 2.529731000 C 2.709183000 0.591888000 3.058225000 C 2.852923000 1.830797000 2.429551000 C 1.696827000 2.694743000 2.254620000 C 1.818061000 3.349927000 0.960658000 C 0.681887000 3.568785000 0.180693000 C 0.729528000 3.338893000 -1.255981000 C -0.545244000 2.769433000 -1.660866000 C -0.584098000 1.771831000 -2.639163000 C 1.509524000 -2.232774000 -2.681323000 C -0.769759000 -0.547244000 -3.032932000 C 4.401599000 0.601498000 -0.694617000 C -5.148524000 -0.111241000 -0.660557000 C -4.663166000 -2.446515000 -0.291167000 C -5.527097000 -1.874157000 0.797399000 C -5.842342000 -0.531848000 0.514455000 H -5.910241000 -2.447988000 1.633215000 H -5.245249000 -3.121329000 -0.938509000 C -4.196425000 -1.202027000 -1.103135000 H -4.230142000 -1.376383000 -2.183084000 C -5.350907000 1.150750000 -1.188993000 H -4.830332000 1.465049000 -2.088831000 C -6.707161000 0.373608000 1.172814000 H -7.232234000 0.070899000 2.074285000 C -6.887249000 1.643380000 0.638054000 H -7.555368000 2.343532000 1.132042000 C -6.229257000 2.033484000 -0.538543000 H -6.393273000 3.026823000 -0.944974000 H -3.826826000 -3.043235000 0.088550000 TSbir[6,6] E=-2634.224571 G=-2633.762188 C -2.087047000 -0.092767000 -1.809400000 C -2.452230000 -0.961017000 -0.684203000 C -2.515684000 -0.379784000 0.606095000 C -2.347450000 1.043467000 0.788807000 C -2.065105000 1.868665000 -0.303126000 C -1.927101000 1.278165000 -1.632912000 C -1.189102000 -0.821437000 -2.684287000 C -0.939594000 -2.125131000 -2.088484000 C -1.686543000 -2.201369000 -0.845659000 C -1.133518000 -2.848992000 0.257143000 C -1.941693000 -1.053436000 1.749819000 C -1.667123000 1.260370000 2.059596000 C -0.721723000 2.278347000 2.179545000 C -0.419456000 3.130636000 1.039788000 C -1.077321000 2.921996000 -0.177046000 C -0.331061000 2.993119000 -1.426236000 C -0.857867000 1.977772000 -2.325119000 C 0.004217000 1.279380000 -3.174029000 C -0.165518000 -0.151208000 -3.357817000 C 0.326139000 -2.706265000 -2.186133000 C 1.395382000 -2.003991000 -2.880658000 C 1.155018000 -0.754895000 -3.453295000 C 2.142493000 0.306113000 -3.327587000 C 1.430523000 1.563398000 -3.153694000 C 1.935679000 2.535477000 -2.289571000 C 1.036388000 3.266427000 -1.408730000 C 1.720409000 3.480584000 -0.142588000 C 1.005934000 3.409781000 1.054992000 C -1.416145000 -0.040518000 2.656669000 C 3.103202000 0.854734000 2.710873000 C 2.078498000 0.183436000 3.377321000 C 1.905511000 -1.250055000 3.191050000 C 2.767682000 -1.951399000 2.346521000 C 3.835876000 -1.250611000 1.652605000 C 4.305300000 0.973191000 0.690368000 C 3.596164000 2.230649000 0.865139000 C 2.851979000 2.157424000 2.113622000 C 1.586218000 2.735044000 2.207416000 C 0.517341000 2.035315000 2.903170000 C 0.758359000 0.786200000 3.476095000 C 0.480207000 -1.533042000 3.175653000 C -0.029051000 -2.505477000 2.309719000 C 0.870346000 -3.236071000 1.428259000 C 2.238468000 -2.965566000 1.447156000 C 2.983091000 -2.893702000 0.198701000 C 3.970168000 -1.833887000 0.325613000 C 4.263170000 -1.017917000 -0.767851000 C 4.434926000 0.414270000 -0.582284000 C 3.039649000 2.877145000 -0.238987000 C 3.173134000 2.293868000 -1.566041000 C 3.856786000 1.089060000 -1.733633000 C 3.329960000 0.074067000 -2.633069000 C 3.580299000 -1.228761000 -2.035203000 C 2.633795000 -2.246093000 -2.156974000 C 2.328806000 -3.097602000 -1.016786000 C 0.902714000 -3.382049000 -1.036464000 C 0.187577000 -3.448517000 0.161300000 C -0.229184000 -0.275188000 3.350321000 C -1.265352000 -2.265510000 1.589747000 C 4.001351000 0.123025000 1.830487000 C -4.756325000 -1.494479000 -1.184433000 C -5.604163000 -1.725032000 1.001622000 H -4.507087000 -1.734526000 -2.210751000 H -5.863340000 -2.127604000 1.973454000 C -5.039732000 -2.544122000 -0.131929000 H -5.756622000 -3.301380000 -0.499219000 H -4.141298000 -3.113605000 0.153515000 C -5.284371000 -0.231151000 -0.751196000 C -5.733026000 -0.372118000 0.611664000 C -5.320644000 1.005991000 -1.381824000 H -4.973358000 1.116107000 -2.404226000 C -6.185612000 0.756459000 1.311110000 C -5.786217000 2.126003000 -0.663450000 H -6.518385000 0.668374000 2.341245000 H -5.809623000 3.098314000 -1.145757000 C -6.204491000 1.999170000 0.661370000 H -6.550152000 2.876803000 1.199795000 Proint[6,6] E=-2634.259110 G=-2633.794527 C -2.167935000 0.318372000 -1.657923000 C -2.688735000 -0.857216000 -0.805243000 C -2.490969000 -0.549647000 0.668791000 C -2.296544000 0.779689000 1.162557000 C -2.072054000 1.853582000 0.292421000 C -1.984080000 1.591881000 -1.155273000 C -1.292592000 -0.165315000 -2.687667000 C -1.011591000 -1.571181000 -2.433894000 C -1.712600000 -1.968881000 -1.245590000 C -1.101141000 -2.832119000 -0.356125000 C -1.846150000 -1.458235000 1.567809000 C -1.558086000 0.704964000 2.421987000 C -0.614921000 1.677346000 2.743475000 C -0.367952000 2.780315000 1.826983000 C -1.082696000 2.852852000 0.622624000 C -0.390288000 3.228587000 -0.603056000 C -0.951033000 2.450980000 -1.695515000 C -0.127223000 1.998468000 -2.730109000 C -0.301914000 0.657931000 -3.240321000 C 0.249924000 -2.098814000 -2.740929000 C 1.283321000 -1.235361000 -3.293253000 C 1.013638000 0.110828000 -3.536711000 C 2.003851000 1.123235000 -3.205513000 C 1.296539000 2.291817000 -2.703580000 C 1.835380000 3.033313000 -1.651464000 C 0.973155000 3.516639000 -0.580865000 C 1.713264000 3.432286000 0.668705000 C 1.052720000 3.066836000 1.845370000 C -1.277307000 -0.692898000 2.675508000 C 3.230732000 0.217866000 2.745668000 C 2.240280000 -0.606966000 3.276340000 C 2.058585000 -1.955383000 2.754993000 C 2.884830000 -2.422185000 1.728905000 C 3.917446000 -1.561710000 1.179109000 C 4.336947000 0.833330000 0.761109000 C 3.634152000 2.001962000 1.263821000 C 2.948922000 1.622712000 2.490712000 C 1.688771000 2.145034000 2.777382000 C 0.655933000 1.285507000 3.334177000 C 0.926211000 -0.061523000 3.578422000 C 0.638254000 -2.243022000 2.735721000 C 0.086188000 -2.980741000 1.678870000 C 0.948714000 -3.462166000 0.608295000 C 2.316269000 -3.193901000 0.634526000 C 3.006642000 -2.816656000 -0.591485000 C 3.993937000 -1.806885000 -0.255108000 C 4.237687000 -0.747934000 -1.132001000 C 4.412636000 0.599005000 -0.614206000 C 3.026583000 2.887600000 0.372988000 C 3.102690000 2.642797000 -1.061418000 C 3.783579000 1.522920000 -1.543885000 C 3.221977000 0.747530000 -2.637941000 C 3.503209000 -0.657637000 -2.383368000 C 2.554815000 -1.628869000 -2.707231000 C 2.302489000 -2.733686000 -1.793509000 C 0.877305000 -3.020482000 -1.821284000 C 0.213176000 -3.370760000 -0.642114000 C -0.063484000 -1.073135000 3.241072000 C -1.179039000 -2.596935000 1.097811000 C 4.088979000 -0.268980000 1.675346000 C -4.191245000 -1.214986000 -1.131025000 C -5.545603000 -1.875603000 0.762044000 H -4.242413000 -1.390107000 -2.210457000 H -5.950004000 -2.449601000 1.587696000 C -4.671526000 -2.453191000 -0.315504000 H -5.243444000 -3.133855000 -0.965337000 H -3.838944000 -3.046615000 0.078626000 C -5.114695000 -0.104013000 -0.673298000 C -5.819337000 -0.521891000 0.497388000 C -5.281284000 1.170922000 -1.181531000 H -4.757773000 1.483974000 -2.079112000 C -6.653594000 0.399978000 1.173261000 C -6.126305000 2.071509000 -0.510669000 H -7.185267000 0.098803000 2.071397000 H -6.259784000 3.076005000 -0.900610000 C -6.792435000 1.684229000 0.662205000 H -7.434588000 2.397889000 1.171062000 TS[5,6] E=-2634.248222 G=-2633.781759 C -2.537504000 -0.928185000 0.764168000 C -2.698578000 -0.975411000 -0.790754000 C -1.689911000 -1.905735000 -1.432489000 C -0.937390000 -2.886512000 -0.687952000 C -0.944502000 -2.884570000 0.707785000 C -1.704153000 -1.858702000 1.432087000 C -2.379583000 0.472199000 1.161419000 C -2.346483000 1.312008000 -0.016113000 C -2.384339000 0.477147000 -1.181426000 C -1.646390000 0.819532000 -2.296393000 C -0.919336000 -1.533194000 -2.571499000 C 0.298510000 -3.167087000 -1.402877000 C 1.479888000 -3.418463000 -0.701904000 C 1.472140000 -3.408158000 0.749926000 C 0.277636000 -3.145278000 1.435563000 C 0.288275000 -2.276391000 2.600474000 C -0.937834000 -1.488420000 2.587584000 C -0.919165000 -0.160190000 3.041767000 C -1.655927000 0.843708000 2.294412000 C -1.616506000 2.512794000 -0.015867000 C -0.854712000 2.887373000 1.159818000 C -0.871813000 2.068352000 2.289903000 C 0.355202000 1.815038000 3.025144000 C 0.324800000 0.431676000 3.484082000 C 1.503866000 -0.323228000 3.490653000 C 1.480595000 -1.709571000 3.043336000 C 2.718935000 -1.976132000 2.326374000 C 2.711816000 -2.806852000 1.202707000 C 0.315171000 -2.317667000 -2.576174000 C 4.254085000 -0.417449000 -1.158804000 C 3.520321000 -0.779391000 -2.287500000 C 2.769093000 0.230293000 -3.022770000 C 2.793259000 1.563274000 -2.597256000 C 3.558200000 1.937098000 -1.423569000 C 4.267846000 0.976617000 0.736271000 C 4.244521000 -0.402857000 1.194330000 C 4.238403000 -1.267105000 0.022966000 C 3.491379000 -2.443986000 0.026894000 C 2.726781000 -2.823094000 -1.152121000 C 2.741820000 -2.007465000 -2.285087000 C 1.530833000 -0.368598000 -3.471313000 C 0.345363000 0.382782000 -3.473080000 C 0.373180000 1.771156000 -3.026912000 C 1.568974000 2.348921000 -2.603467000 C 1.582173000 3.216747000 -1.433463000 C 2.809772000 2.959242000 -0.702738000 C 2.807405000 2.968745000 0.693308000 C 3.549298000 1.955610000 1.428926000 C 3.499554000 -0.751617000 2.320913000 C 2.746744000 0.267975000 3.041140000 C 2.776707000 1.596461000 2.603612000 C 1.554919000 2.383717000 2.596407000 C 1.574739000 3.235218000 1.415109000 C 0.394671000 3.485048000 0.714004000 C 0.398147000 3.476643000 -0.741522000 C -0.849207000 2.876511000 -1.186950000 C -0.857456000 2.037094000 -2.303401000 C 1.508462000 -1.751004000 -3.013074000 C -0.896682000 -0.205077000 -3.037410000 C 4.273470000 0.968595000 -0.715636000 C -5.114428000 -0.286094000 -0.714888000 C -4.516783000 -2.497763000 -0.092038000 C -4.672900000 -1.612702000 1.123058000 C -5.318999000 -0.405411000 0.685026000 H -4.684225000 -1.978067000 2.143636000 H -5.461885000 -3.003892000 -0.336119000 C -4.194122000 -1.405043000 -1.136971000 H -4.267679000 -1.701132000 -2.185049000 C -5.606785000 0.802968000 -1.415823000 H -5.433449000 0.903712000 -2.483562000 C -5.992447000 0.604522000 1.387500000 H -6.131888000 0.534302000 2.462364000 C -6.498036000 1.688599000 0.672111000 H -7.041050000 2.470148000 1.195705000 C -6.318595000 1.785907000 -0.714664000 H -6.722001000 2.641058000 -1.248682000 H -3.736137000 -3.257131000 0.002465000 Prod[5,6] E=-2634.275165 G=-2633.805611 C 2.718550000 -0.984584000 -0.810352000 C 2.718589000 -0.984536000 0.810298000 C 1.689514000 -1.891438000 1.435710000 C 0.926594000 -2.877390000 0.697936000 C 0.926588000 -2.877575000 -0.697717000 C 1.689460000 -1.891600000 -1.435575000 C 2.393829000 0.465828000 -1.171168000 C 2.348120000 1.291178000 -0.000101000 C 2.393884000 0.466008000 1.171044000 C 1.663291000 0.826724000 2.288223000 C 0.926929000 -1.517432000 2.572993000 C -0.302910000 -3.154901000 1.418650000 C -1.491999000 -3.408625000 0.726209000 C -1.492033000 -3.408765000 -0.725782000 C -0.302966000 -3.154966000 -1.418236000 C -0.312096000 -2.296809000 -2.584734000 C 0.926850000 -1.517751000 -2.572787000 C 0.912988000 -0.186714000 -3.040259000 C 1.663227000 0.826517000 -2.288283000 C 1.628406000 2.504123000 -0.000202000 C 0.871406000 2.881599000 -1.171359000 C 0.880056000 2.046870000 -2.290819000 C -0.348695000 1.792697000 -3.021543000 C -0.324430000 0.405991000 -3.474900000 C -1.514599000 -0.341025000 -3.479393000 C -1.500225000 -1.726292000 -3.027037000 C -2.738180000 -1.982187000 -2.305969000 C -2.732122000 -2.806254000 -1.177533000 C -0.312033000 -2.296576000 2.585067000 C -4.246220000 -0.391565000 1.176293000 C -3.509012000 -0.750850000 2.303594000 C -2.749089000 0.260239000 3.030658000 C -2.770296000 1.592475000 2.598623000 C -3.535930000 1.962146000 1.426029000 C -4.258883000 0.991162000 -0.724804000 C -4.246258000 -0.391714000 -1.176221000 C -4.241451000 -1.249442000 0.000094000 C -3.502343000 -2.430988000 0.000164000 C -2.732096000 -2.806092000 1.177882000 C -2.738118000 -1.981886000 2.306224000 C -1.514548000 -0.340583000 3.479487000 C -0.324405000 0.406413000 3.474822000 C -0.348664000 1.793047000 3.021356000 C -1.542992000 2.373505000 2.598255000 C -1.556668000 3.236186000 1.424044000 C -2.786801000 2.977542000 0.698099000 C -2.786807000 2.977446000 -0.698431000 C -3.535930000 1.961980000 -1.426238000 C -3.509068000 -0.751145000 -2.303465000 C -2.749103000 0.259848000 -3.030598000 C -2.770288000 1.592132000 -2.598727000 C -1.543016000 2.373199000 -2.598513000 C -1.556688000 3.235991000 -1.424397000 C -0.374018000 3.488213000 -0.728073000 C -0.373995000 3.488308000 0.727691000 C 0.871446000 2.881737000 1.171037000 C 0.880085000 2.047110000 2.290542000 C -1.500169000 -1.725945000 3.027225000 C 0.913100000 -0.186367000 3.040367000 C -4.258874000 0.991256000 0.724712000 C 5.122471000 -0.325268000 0.702950000 C 4.434797000 -2.469847000 0.000005000 C 4.204572000 -1.445786000 -1.137577000 C 5.122421000 -0.325222000 -0.703008000 H 4.314443000 -1.794882000 -2.165013000 H 5.450089000 -2.876299000 -0.000085000 C 4.204695000 -1.445776000 1.137573000 H 4.314429000 -1.794829000 2.165033000 C 5.805022000 0.649337000 1.415685000 H 5.791055000 0.663771000 2.502073000 C 5.804886000 0.649454000 -1.415716000 H 5.790818000 0.664014000 -2.502102000 C 6.518999000 1.619325000 -0.698429000 H 7.075909000 2.381830000 -1.235393000 C 6.519112000 1.619234000 0.698415000 H 7.076207000 2.381601000 1.235383000 H 3.711840000 -3.290769000 0.000049000 TS[6,6] E=-2634.23249 G=-2633.76802 C -2.288583000 0.302623000 -1.484996000 C -2.681621000 -1.002287000 -0.787288000 C -2.527653000 -0.911215000 0.738352000 C -2.335439000 0.395797000 1.380945000 C -2.219669000 1.565785000 0.643622000 C -2.193699000 1.513849000 -0.831104000 C -1.435139000 0.022530000 -2.599132000 C -1.048889000 -1.383346000 -2.543427000 C -1.657266000 -1.977990000 -1.405812000 C -0.938736000 -2.912424000 -0.648667000 C -1.707830000 -1.840787000 1.458224000 C -1.526557000 0.212859000 2.567762000 C -0.639864000 1.204649000 2.987455000 C -0.517284000 2.426192000 2.214814000 C -1.292710000 2.600809000 1.063112000 C -0.696323000 3.183691000 -0.127534000 C -1.252650000 2.515768000 -1.289273000 C -0.442843000 2.259719000 -2.403692000 C -0.539022000 0.986511000 -3.076820000 C 0.241325000 -1.767409000 -2.977115000 C 1.171480000 -0.765462000 -3.434306000 C 0.798373000 0.587076000 -3.493778000 C 1.723136000 1.615381000 -3.075363000 C 0.956900000 2.651748000 -2.390758000 C 1.490876000 3.290587000 -1.273120000 C 0.647641000 3.567404000 -0.119087000 C 1.450875000 3.375760000 1.074838000 C 0.882455000 2.817758000 2.220205000 C -1.131710000 -1.184433000 2.605892000 C 3.297150000 0.048912000 2.640353000 C 2.395665000 -0.913854000 3.087096000 C 2.297802000 -2.194935000 2.405942000 C 3.117579000 -2.467301000 1.297129000 C 4.052614000 -1.459742000 0.832973000 C 4.262605000 0.996528000 0.721215000 C 3.498470000 2.031804000 1.403271000 C 2.908131000 1.450399000 2.591775000 C 1.622823000 1.835377000 3.000346000 C 0.683815000 0.840913000 3.468187000 C 1.055246000 -0.514428000 3.505981000 C 0.905983000 -2.576013000 2.385967000 C 0.364197000 -3.217296000 1.271256000 C 1.210248000 -3.505657000 0.125531000 C 2.560570000 -3.134491000 0.137876000 C 3.155617000 -2.546611000 -1.051393000 C 4.078714000 -1.508003000 -0.623599000 C 4.196324000 -0.329272000 -1.359433000 C 4.290493000 0.952179000 -0.674891000 C 2.791710000 2.980011000 0.656156000 C 2.815186000 2.930841000 -0.788957000 C 3.552945000 1.932671000 -1.448878000 C 2.996546000 1.267297000 -2.606961000 C 3.390122000 -0.134484000 -2.553597000 C 2.502695000 -1.128492000 -2.963164000 C 2.383719000 -2.358940000 -2.199488000 C 0.980820000 -2.748316000 -2.206469000 C 0.408911000 -3.303409000 -1.064273000 C 0.134983000 -1.536177000 3.083212000 C -0.962046000 -2.870170000 0.788300000 C 4.145488000 -0.230076000 1.487667000 C -5.096618000 -0.299608000 -0.719767000 C -4.513469000 -2.502209000 -0.062427000 C -4.674553000 -1.600137000 1.135429000 C -5.312537000 -0.400668000 0.681667000 H -4.660203000 -1.940655000 2.164356000 H -5.464573000 -2.997674000 -0.305949000 C -4.181323000 -1.428349000 -1.122806000 H -4.253658000 -1.739294000 -2.166688000 C -5.581874000 0.782526000 -1.434973000 H -5.400573000 0.873738000 -2.501986000 C -5.994611000 0.616185000 1.369222000 H -6.142690000 0.556262000 2.443410000 C -6.494873000 1.689683000 0.637911000 H -7.044618000 2.476295000 1.146395000 C -6.300353000 1.771817000 -0.749216000 H -6.697949000 2.621833000 -1.295519000 H -3.742664000 -3.268380000 0.047281000 Prod[6,6] E=-2634.265379 G=-2633.798116 C -2.319014000 -0.497643000 1.399205000 C -2.736785000 0.884960000 0.911559000 C -2.755083000 1.053853000 -0.693512000 C -2.352009000 -0.198653000 -1.466927000 C -2.220170000 -1.444400000 -0.889243000 C -2.200092000 -1.592878000 0.579481000 C -1.461691000 -0.375522000 2.552379000 C -1.084247000 0.997468000 2.692363000 C -1.698575000 1.750336000 1.624509000 C -0.997245000 2.766560000 1.024196000 C -1.729781000 2.052738000 -1.233597000 C -1.523231000 0.156323000 -2.584352000 C -0.619049000 -0.769030000 -3.138299000 C -0.487577000 -2.065969000 -2.536749000 C -1.266770000 -2.397196000 -1.425404000 C -0.676713000 -3.134948000 -0.321592000 C -1.234585000 -2.640551000 0.896872000 C -0.432151000 -2.542421000 2.055907000 C -0.547168000 -1.403565000 2.898297000 C 0.205853000 1.333083000 3.175758000 C 1.157005000 0.272780000 3.518222000 C 0.790646000 -1.058398000 3.383477000 C 1.731496000 -2.024105000 2.840779000 C 0.978240000 -2.940225000 2.008850000 C 1.522529000 -3.419841000 0.819868000 C 0.694091000 -3.525589000 -0.372992000 C 1.493190000 -3.173548000 -1.504791000 C 0.928164000 -2.449256000 -2.576925000 C -1.140732000 1.544765000 -2.441867000 C 3.334996000 0.317557000 -2.594598000 C 2.413952000 1.345550000 -2.919721000 C 2.289754000 2.491412000 -2.073729000 C 3.087342000 2.612325000 -0.914909000 C 4.049574000 1.562630000 -0.583679000 C 4.303740000 -0.876385000 -0.807437000 C 3.546709000 -1.805523000 -1.631075000 C 2.957477000 -1.054212000 -2.734819000 C 1.660754000 -1.390188000 -3.198436000 C 0.711661000 -0.330880000 -3.536790000 C 1.078284000 1.000380000 -3.401750000 C 0.876195000 2.880366000 -2.033112000 C 0.317685000 3.346449000 -0.840295000 C 1.141450000 3.459821000 0.350368000 C 2.521742000 3.103351000 0.302349000 C 3.118272000 2.369018000 1.409573000 C 4.070065000 1.416363000 0.861690000 C 4.201140000 0.149082000 1.435974000 C 4.318924000 -1.021999000 0.580139000 C 2.836205000 -2.841154000 -1.032946000 C 2.852509000 -2.998812000 0.411700000 C 3.578861000 -2.107785000 1.205816000 C 3.011380000 -1.607553000 2.445901000 C 3.395022000 -0.216163000 2.587835000 C 2.484310000 0.709591000 3.118014000 C 2.344802000 2.018252000 2.513304000 C 0.927305000 2.390997000 2.558145000 C 0.347663000 3.099598000 1.482309000 C 0.134941000 1.968841000 -2.858853000 C -1.013018000 2.927044000 -0.443840000 C 4.165893000 0.443586000 -1.401623000 C -5.120811000 0.192338000 0.762582000 C -4.489771000 2.414292000 0.283361000 C -4.246528000 1.521053000 -0.952736000 C -5.137238000 0.340594000 -0.635139000 H -4.369288000 1.971642000 -1.938512000 H -5.516086000 2.788143000 0.334948000 C -4.221254000 1.282936000 1.299588000 H -4.320105000 1.516663000 2.360634000 C -5.781102000 -0.862003000 1.375979000 H -5.755147000 -0.989845000 2.454760000 C -5.814602000 -0.563449000 -1.439773000 H -5.814123000 -0.462955000 -2.521677000 C -6.506920000 -1.613375000 -0.821197000 H -7.060503000 -2.322986000 -1.429405000 C -6.490189000 -1.760854000 0.567734000 H -7.031234000 -2.583429000 1.026656000 H -3.787826000 3.249448000 0.364338000 S=0 OS 1OSC60 E=-2286.490269 G=-2286.156410 C 0.604226000 2.679813000 2.225513000 C 1.850038000 2.650138000 1.458005000 C 1.851802000 3.021914000 0.119408000 C 0.607306000 3.442766000 -0.525449000 C -0.595192000 3.477763000 0.223938000 C -0.596847000 3.096748000 1.599042000 C 0.601782000 1.563156000 3.113620000 C 1.846416000 0.819092000 2.914911000 C 2.624589000 1.502134000 1.895920000 C 3.367213000 0.763533000 0.969255000 C 2.628114000 2.263177000 -0.846089000 C 0.607464000 2.943933000 -1.862169000 C -0.595211000 2.478200000 -2.449962000 C -1.841213000 2.520155000 -1.683187000 C -1.841535000 3.007197000 -0.381803000 C -2.619601000 2.336991000 0.645745000 C -1.843774000 2.381092000 1.873088000 C -1.846285000 1.293699000 2.737903000 C -0.601786000 0.862153000 3.375942000 C 1.844052000 -0.568933000 2.975394000 C 0.596861000 -1.288633000 3.237881000 C -0.604325000 -0.563364000 3.437889000 C -1.850266000 -1.044353000 2.839290000 C -2.624611000 0.109822000 2.416826000 C -3.367499000 0.059701000 1.233109000 C -3.364928000 1.197037000 0.328556000 C -3.364982000 0.688234000 -1.032685000 C -2.619469000 1.340744000 -2.019706000 C 1.851978000 2.202991000 -2.072545000 C -0.601782000 -1.563156000 -3.113620000 C 0.601786000 -0.862153000 -3.375942000 C 1.846285000 -1.293699000 -2.737903000 C 1.843774000 -2.381092000 -1.873088000 C 0.596847000 -3.096748000 -1.599042000 C -1.850038000 -2.650138000 -1.458005000 C -2.624589000 -1.502134000 -1.895920000 C -1.846416000 -0.819092000 -2.914911000 C -1.844052000 0.568933000 -2.975394000 C -0.596861000 1.288633000 -3.237881000 C 0.604325000 0.563364000 -3.437889000 C 2.624611000 -0.109822000 -2.416826000 C 3.367499000 -0.059701000 -1.233109000 C 3.364928000 -1.197037000 -0.328556000 C 2.619601000 -2.336991000 -0.645745000 C 1.841535000 -3.007197000 0.381803000 C 0.595192000 -3.477763000 -0.223938000 C -0.607306000 -3.442766000 0.525449000 C -1.851802000 -3.021914000 -0.119408000 C -3.367213000 -0.763533000 -0.969255000 C -3.368969000 -1.152045000 0.430914000 C -2.628114000 -2.263177000 0.846089000 C -1.851978000 -2.202991000 2.072545000 C -0.607464000 -2.943933000 1.862169000 C 0.595211000 -2.478200000 2.449962000 C 1.841213000 -2.520155000 1.683187000 C 2.619469000 -1.340744000 2.019706000 C 3.364982000 -0.688234000 1.032685000 C 1.850266000 1.044353000 -2.839290000 C 3.368969000 1.152045000 -0.430914000 C -0.604226000 -2.679813000 -2.225513000 Pre-complex E=-2634.267742 G=-2633.804985 C -1.786486000 -0.929805000 2.066199000 C -2.452082000 -0.586617000 0.821237000 C -2.299450000 -1.398939000 -0.298825000 C -1.473421000 -2.592507000 -0.223099000 C -0.832034000 -2.923385000 0.971930000 C -0.992911000 -2.075358000 2.142283000 C -1.342921000 0.306782000 2.694212000 C -1.737477000 1.413680000 1.835295000 C -2.427190000 0.862989000 0.680171000 C -2.244784000 1.433417000 -0.579539000 C -2.114208000 -0.803610000 -1.614967000 C -0.769413000 -2.731987000 -1.489482000 C 0.545997000 -3.195327000 -1.509735000 C 1.215153000 -3.537963000 -0.263634000 C 0.540738000 -3.404554000 0.950326000 C 1.228851000 -2.852244000 2.107513000 C 0.281195000 -2.029907000 2.844018000 C 0.706367000 -0.845226000 3.445647000 C -0.123244000 0.348304000 3.369221000 C -0.897990000 2.518381000 1.689487000 C 0.375415000 2.559442000 2.391015000 C 0.754710000 1.498462000 3.214329000 C 2.126487000 1.015819000 3.192615000 C 2.097059000 -0.432011000 3.336124000 C 3.005908000 -1.221115000 2.630728000 C 2.562299000 -2.456640000 2.003394000 C 3.265279000 -2.595964000 0.737419000 C 2.605890000 -3.125374000 -0.372078000 C -1.165512000 -1.625501000 -2.348757000 C 3.243845000 -0.319056000 -2.691995000 C 2.023482000 -0.360467000 -3.366388000 C 1.193808000 0.832307000 -3.442721000 C 1.618650000 2.016825000 -2.840782000 C 2.891803000 2.060242000 -2.137864000 C 4.356468000 0.574058000 -0.819444000 C 4.325901000 -0.873652000 -0.676392000 C 3.638468000 -1.425318000 -1.833723000 C 2.796064000 -2.527158000 -1.684863000 C 1.523643000 -2.570854000 -2.388109000 C 1.144809000 -1.510076000 -3.211181000 C -0.197561000 0.418879000 -3.335310000 C -1.105614000 1.207655000 -2.627436000 C -0.661884000 2.443611000 -1.999851000 C 0.671319000 2.840005000 -2.104443000 C 1.358393000 3.392499000 -0.947382000 C 2.730504000 2.909778000 -0.967549000 C 3.372412000 2.581386000 0.226465000 C 4.202054000 1.388628000 0.302127000 C 4.143248000 -1.446419000 0.582040000 C 3.982921000 -0.596651000 1.752182000 C 4.011592000 0.791204000 1.615299000 C 3.064181000 1.614486000 2.350688000 C 2.668678000 2.720559000 1.492369000 C 1.352963000 3.183705000 1.512468000 C 0.683447000 3.526585000 0.266609000 C -0.707769000 3.115793000 0.375764000 C -1.365780000 2.583047000 -0.733899000 C -0.227707000 -1.028058000 -3.192736000 C -2.082684000 0.583810000 -1.749712000 C 3.687616000 0.916923000 -2.065258000 C -5.429289000 1.578983000 1.171529000 C -5.339010000 1.562942000 -1.196687000 H -5.437840000 1.915939000 2.200859000 H -5.265470000 1.886140000 -2.227698000 C -5.328019000 2.490556000 -0.016128000 H -6.174836000 3.195237000 -0.052247000 H -4.423416000 3.115114000 0.012357000 C -5.536366000 0.291786000 0.730389000 C -5.475457000 0.281937000 -0.748604000 C -5.655447000 -0.957162000 1.433940000 H -5.691968000 -0.962647000 2.519715000 C -5.534068000 -0.977100000 -1.443310000 C -5.712665000 -2.116297000 0.721885000 H -5.478484000 -0.996338000 -2.527925000 H -5.797344000 -3.067460000 1.239861000 C -5.652186000 -2.126675000 -0.723578000 H -5.692565000 -3.084897000 -1.233679000 TSbir[5,6] E=-2634.246856 G=-2633.783166 C -1.687455000 -1.972363000 -1.308226000 C -2.567516000 -0.853872000 -0.836252000 C -2.267328000 0.428180000 -1.436890000 C -1.395726000 0.553855000 -2.581526000 C -0.710988000 -0.549910000 -3.088318000 C -0.851921000 -1.839271000 -2.408714000 C -1.243244000 -2.743875000 -0.169047000 C -1.698482000 -2.074659000 1.039147000 C -2.452139000 -0.898404000 0.656615000 C -2.304792000 0.269954000 1.405160000 C -2.144233000 1.613772000 -0.649989000 C -0.740319000 1.853805000 -2.521459000 C 0.584975000 1.987275000 -2.934842000 C 1.309163000 0.831694000 -3.438594000 C 0.670955000 -0.411421000 -3.504234000 C 1.386227000 -1.613988000 -3.102541000 C 0.445279000 -2.492798000 -2.426869000 C 0.862388000 -3.260803000 -1.338127000 C -0.001576000 -3.389309000 -0.181761000 C -0.902598000 -2.082417000 2.185539000 C 0.394136000 -2.740819000 2.165608000 C 0.835081000 -3.384050000 1.009581000 C 2.219239000 -3.246417000 0.584602000 C 2.236201000 -3.170191000 -0.868794000 C 3.136828000 -2.320438000 -1.511372000 C 2.704300000 -1.528015000 -2.653911000 C 3.366373000 -0.234619000 -2.582346000 C 2.679176000 0.919136000 -2.961390000 C -1.201175000 2.514180000 -1.316206000 C 3.141873000 2.808262000 0.182728000 C 1.897432000 3.437249000 0.200125000 C 1.027841000 3.302199000 1.360668000 C 1.445613000 2.548381000 2.459918000 C 2.742687000 1.890570000 2.438434000 C 4.298936000 0.860901000 0.822942000 C 4.318581000 0.937372000 -0.628859000 C 3.603522000 2.141577000 -1.025900000 C 2.803842000 2.134023000 -2.167843000 C 1.507006000 2.793781000 -2.151274000 C 1.062949000 3.430311000 -0.991021000 C -0.342653000 3.213159000 0.890786000 C -1.248955000 2.362656000 1.529383000 C -0.811435000 1.574233000 2.672965000 C 0.504938000 1.665599000 3.128689000 C 1.221358000 0.461905000 3.524782000 C 2.605285000 0.600688000 3.099266000 C 3.302191000 -0.507899000 2.618118000 C 4.168448000 -0.375736000 1.456335000 C 4.200774000 -0.225439000 -1.390249000 C 4.061946000 -1.515029000 -0.731296000 C 4.045481000 -1.587767000 0.663126000 C 3.105787000 -2.471689000 1.334089000 C 2.645418000 -1.803764000 2.542305000 C 1.318341000 -1.936861000 2.950968000 C 0.591845000 -0.780698000 3.453897000 C -0.780527000 -0.872296000 2.979295000 C -1.464447000 0.279719000 2.594193000 C -0.321233000 3.287383000 -0.565344000 C -2.182624000 1.559208000 0.755978000 C 3.573259000 2.017321000 1.325305000 C -4.473819000 -1.342536000 -1.247817000 C -5.204192000 -1.768145000 0.962998000 H -4.379729000 -1.541978000 -2.310812000 H -5.299744000 -2.229407000 1.938217000 C -4.736976000 -2.477321000 -0.269150000 H -5.572244000 -3.070614000 -0.681062000 H -3.909757000 -3.174201000 -0.114084000 C -5.219412000 -0.228774000 -0.756706000 C -5.575139000 -0.474084000 0.625149000 C -5.482687000 1.023750000 -1.342651000 H -5.203434000 1.215522000 -2.374056000 C -6.168254000 0.569505000 1.393471000 C -6.090856000 2.002594000 -0.580382000 H -6.417061000 0.404138000 2.437628000 H -6.305501000 2.972792000 -1.018592000 C -6.424218000 1.775568000 0.786032000 H -6.885065000 2.579204000 1.352976000 Proint[5,6] E=-2634.259637 G=-2633.794132 C -1.715866000 -1.964560000 -1.252549000 C -2.685289000 -0.835357000 -0.848238000 C -2.240052000 0.465270000 -1.475061000 C -1.359755000 0.525465000 -2.605331000 C -0.695586000 -0.614286000 -3.071190000 C -0.872097000 -1.883921000 -2.344728000 C -1.288163000 -2.688369000 -0.087046000 C -1.739057000 -1.969967000 1.096088000 C -2.457671000 -0.798935000 0.676671000 C -2.297076000 0.380595000 1.382869000 C -2.078837000 1.667108000 -0.720220000 C -0.666391000 1.811185000 -2.586147000 C 0.661883000 1.898708000 -2.995072000 C 1.359590000 0.707609000 -3.453029000 C 0.687884000 -0.522509000 -3.479041000 C 1.372814000 -1.726755000 -3.030081000 C 0.408999000 -2.562427000 -2.332938000 C 0.804375000 -3.306662000 -1.217929000 C -0.066103000 -3.373517000 -0.066159000 C -0.951069000 -1.964405000 2.253681000 C 0.329474000 -2.655651000 2.262876000 C 0.761702000 -3.345809000 1.130846000 C 2.151099000 -3.257166000 0.710884000 C 2.177223000 -3.231546000 -0.744314000 C 3.099856000 -2.423070000 -1.409594000 C 2.690491000 -1.658350000 -2.579946000 C 3.383169000 -0.379396000 -2.548591000 C 2.726226000 0.778304000 -2.973269000 C -1.114861000 2.523828000 -1.408508000 C 3.219348000 2.761541000 0.107914000 C 1.993124000 3.424321000 0.095459000 C 1.111193000 3.347485000 1.253180000 C 1.501896000 2.615920000 2.378243000 C 2.780997000 1.927734000 2.389278000 C 4.322526000 0.808571000 0.821042000 C 4.352809000 0.835387000 -0.631794000 C 3.670845000 2.042769000 -1.074464000 C 2.878197000 2.016773000 -2.220827000 C 1.599928000 2.711030000 -2.235397000 C 1.166656000 3.399654000 -1.101287000 C -0.255374000 3.275913000 0.775441000 C -1.187824000 2.461363000 1.433419000 C -0.776592000 1.697319000 2.603344000 C 0.535646000 1.775765000 3.068197000 C 1.221673000 0.570546000 3.513485000 C 2.608327000 0.663678000 3.092621000 C 3.285213000 -0.476821000 2.655601000 C 4.159346000 -0.403306000 1.495881000 C 4.210300000 -0.349332000 -1.354640000 C 4.036932000 -1.613389000 -0.652203000 C 4.013552000 -1.638795000 0.744140000 C 3.051213000 -2.477747000 1.439169000 C 2.600016000 -1.758671000 2.621309000 C 1.267618000 -1.848147000 3.026338000 C 0.563713000 -0.659237000 3.483990000 C -0.807825000 -0.738291000 3.006699000 C -1.461694000 0.416021000 2.567906000 C -0.222638000 3.304187000 -0.679464000 C -2.127728000 1.660075000 0.681704000 C 3.622925000 1.997490000 1.279011000 C -4.203686000 -1.165166000 -1.222649000 C -5.397657000 -1.891250000 0.731715000 H -4.234016000 -1.269187000 -2.310589000 H -5.688649000 -2.484458000 1.590638000 C -4.697289000 -2.436503000 -0.478511000 H -5.413248000 -2.969658000 -1.124897000 H -3.902011000 -3.150874000 -0.247419000 C -5.116625000 -0.087914000 -0.693293000 C -5.720518000 -0.537029000 0.520993000 C -5.339252000 1.196712000 -1.160722000 H -4.881305000 1.537604000 -2.084137000 C -6.512150000 0.356036000 1.279605000 C -6.153673000 2.061783000 -0.415770000 H -6.961981000 0.031476000 2.213508000 H -6.337016000 3.070120000 -0.774372000 C -6.721069000 1.641677000 0.798959000 H -7.337629000 2.333592000 1.365910000 TS[5,6] E=-2634.257183 G=-2633.789825 C -2.512530000 -0.873727000 0.727523000 C -2.694963000 -0.945286000 -0.815867000 C -1.702435000 -1.894890000 -1.436415000 C -0.983940000 -2.853121000 -0.684615000 C -1.010792000 -2.858091000 0.731229000 C -1.738169000 -1.818102000 1.419016000 C -2.381163000 0.518151000 1.121215000 C -2.328980000 1.346431000 -0.068499000 C -2.363935000 0.496940000 -1.227042000 C -1.599883000 0.815860000 -2.330600000 C -0.897905000 -1.535328000 -2.583356000 C 0.271795000 -3.159799000 -1.381055000 C 1.431839000 -3.415459000 -0.660947000 C 1.408189000 -3.395556000 0.799631000 C 0.214967000 -3.117186000 1.469925000 C 0.233070000 -2.244537000 2.633838000 C -0.974388000 -1.439852000 2.598706000 C -0.943523000 -0.113650000 3.020820000 C -1.664185000 0.894341000 2.258473000 C -1.574889000 2.530187000 -0.070154000 C -0.821613000 2.910952000 1.111719000 C -0.862862000 2.104879000 2.249909000 C 0.354123000 1.847537000 3.005826000 C 0.304440000 0.473312000 3.480696000 C 1.468541000 -0.296879000 3.508867000 C 1.431776000 -1.687530000 3.080420000 C 2.670754000 -1.974934000 2.376479000 C 2.653772000 -2.810584000 1.256072000 C 0.319150000 -2.336974000 -2.569135000 C 4.268448000 -0.476147000 -1.113225000 C 3.546752000 -0.838600000 -2.249476000 C 2.820689000 0.173588000 -3.005134000 C 2.855076000 1.506551000 -2.593758000 C 3.609807000 1.883928000 -1.409254000 C 4.280123000 0.938045000 0.768660000 C 4.231711000 -0.436819000 1.241126000 C 4.222516000 -1.311186000 0.077903000 C 3.451397000 -2.472962000 0.084984000 C 2.697095000 -2.850811000 -1.099869000 C 2.745301000 -2.052879000 -2.244743000 C 1.577897000 -0.418171000 -3.469786000 C 0.404125000 0.346195000 -3.486886000 C 0.441662000 1.735368000 -3.051201000 C 1.638716000 2.304720000 -2.619200000 C 1.648658000 3.182777000 -1.456958000 C 2.865841000 2.920698000 -0.709963000 C 2.847107000 2.944641000 0.687760000 C 3.569526000 1.934317000 1.441297000 C 3.472182000 -0.762906000 2.364659000 C 2.729144000 0.275630000 3.066317000 C 2.776947000 1.594194000 2.613670000 C 1.564571000 2.396820000 2.582969000 C 1.608821000 3.233217000 1.392013000 C 0.439756000 3.487500000 0.674129000 C 0.459873000 3.463660000 -0.781546000 C -0.788787000 2.873958000 -1.234677000 C -0.793851000 2.019636000 -2.340042000 C 1.529840000 -1.790672000 -2.997657000 C -0.854150000 -0.226439000 -3.058848000 C 4.303424000 0.914501000 -0.684083000 C -5.129622000 -0.250460000 -0.724546000 C -4.559509000 -2.482074000 -0.150062000 C -4.869617000 -1.668093000 1.074638000 C -5.416395000 -0.426562000 0.661028000 H -4.895784000 -2.060631000 2.084116000 H -5.459672000 -3.019351000 -0.487230000 C -4.218850000 -1.359860000 -1.155813000 H -4.281158000 -1.632317000 -2.210708000 C -5.543113000 0.893239000 -1.393423000 H -5.305658000 1.039178000 -2.443323000 C -6.091464000 0.583673000 1.375945000 H -6.287754000 0.470976000 2.438166000 C -6.515525000 1.712999000 0.688456000 H -7.056002000 2.492766000 1.217280000 C -6.257091000 1.865750000 -0.685670000 H -6.603060000 2.758432000 -1.198058000 H -3.762668000 -3.217459000 -0.014723000 CROSSINGS Proint[5,6] E(S0)= -2634.2503821 E(T1)= -2634.2503697 C -2.402424000 -0.681203000 0.942803000 C -2.742636000 -0.807121000 -0.573577000 C -1.807139000 -1.839201000 -1.229796000 C -1.067575000 -2.819076000 -0.466622000 C -1.001818000 -2.742088000 0.922668000 C -1.682012000 -1.639416000 1.635136000 C -2.219838000 0.702724000 1.296840000 C -2.192238000 1.496688000 0.080545000 C -2.354252000 0.619648000 -1.043708000 C -1.639234000 0.861994000 -2.201331000 C -1.062425000 -1.548952000 -2.410440000 C 0.120587000 -3.195564000 -1.220711000 C 1.315634000 -3.479969000 -0.561679000 C 1.376300000 -3.402085000 0.887475000 C 0.233693000 -3.032171000 1.607356000 C 0.347090000 -2.123473000 2.736281000 C -0.827985000 -1.268624000 2.748319000 C -0.707156000 0.069817000 3.128472000 C -1.419382000 1.081292000 2.382654000 C -1.393510000 2.640545000 -0.001965000 C -0.552975000 3.019122000 1.122481000 C -0.566786000 2.258555000 2.290093000 C 0.678958000 1.964950000 2.978688000 C 0.592649000 0.607870000 3.497847000 C 1.718826000 -0.215953000 3.482974000 C 1.592150000 -1.615148000 3.100372000 C 2.777416000 -1.986035000 2.341096000 C 2.670478000 -2.862037000 1.258432000 C 0.128946000 -2.400754000 -2.432489000 C 4.235180000 -0.674943000 -1.276235000 C 3.429089000 -1.039428000 -2.353568000 C 2.702819000 -0.018887000 -3.097003000 C 2.822877000 1.326352000 -2.734113000 C 3.666972000 1.703907000 -1.613716000 C 4.421651000 0.795232000 0.552377000 C 4.339718000 -0.559617000 1.072886000 C 4.226045000 -1.470097000 -0.057166000 C 3.413716000 -2.599121000 0.033561000 C 2.574201000 -2.982011000 -1.092364000 C 2.581399000 -2.217817000 -2.259614000 C 1.409391000 -0.560930000 -3.457967000 C 0.273544000 0.257694000 -3.437372000 C 0.401552000 1.658155000 -3.060125000 C 1.649084000 2.182956000 -2.720834000 C 1.769368000 3.096052000 -1.593626000 C 3.014977000 2.798288000 -0.907238000 C 3.080766000 2.867838000 0.485081000 C 3.796861000 1.844000000 1.230270000 C 3.630365000 -0.813302000 2.247080000 C 2.977106000 0.279347000 2.953912000 C 3.060046000 1.581677000 2.455627000 C 1.888501000 2.442021000 2.470014000 C 1.901120000 3.237125000 1.250965000 C 0.704514000 3.522334000 0.592835000 C 0.637426000 3.450679000 -0.859509000 C -0.662679000 2.908180000 -1.221910000 C -0.776046000 2.027603000 -2.298210000 C 1.330616000 -1.921561000 -2.941221000 C -0.981831000 -0.238179000 -2.917481000 C 4.357132000 0.725070000 -0.898021000 C -5.165729000 -0.018977000 -0.494413000 C -4.715272000 -2.419707000 -0.171245000 C -5.956445000 -1.947588000 0.530262000 C -6.137798000 -0.553822000 0.396610000 H -6.682271000 -2.621276000 0.971811000 H -4.925844000 -3.260443000 -0.840267000 C -4.185800000 -1.147585000 -0.911999000 H -4.254039000 -1.313787000 -2.001848000 C -5.277067000 1.271035000 -0.968266000 H -4.615160000 1.641421000 -1.743950000 C -7.150399000 0.290725000 0.904599000 H -7.919249000 -0.109223000 1.560031000 C -7.174729000 1.628096000 0.515292000 H -7.939727000 2.288242000 0.915204000 C -6.261198000 2.122138000 -0.421552000 H -6.309942000 3.159731000 -0.736525000 H -3.940045000 -2.768274000 0.526649000 Proint[6,6] E(S0)=-2634.2571867 E(T1)=-2634.2571472 C -2.110512000 0.095890000 -1.776926000 C -2.690799000 -0.918337000 -0.763669000 C -2.522791000 -0.374164000 0.651846000 C -2.301843000 1.012444000 0.926632000 C -2.031864000 1.926910000 -0.098519000 C -1.908537000 1.429411000 -1.481574000 C -1.219937000 -0.565033000 -2.686973000 C -0.980008000 -1.916654000 -2.201632000 C -1.724493000 -2.105136000 -0.987820000 C -1.153346000 -2.820003000 0.048538000 C -1.918601000 -1.137116000 1.705080000 C -1.599184000 1.130151000 2.202183000 C -0.643674000 2.124577000 2.390263000 C -0.347994000 3.059206000 1.315208000 C -1.028648000 2.947485000 0.094298000 C -0.295485000 3.105230000 -1.154919000 C -0.844106000 2.170146000 -2.123003000 C -0.004281000 1.540853000 -3.046719000 C -0.195994000 0.139001000 -3.337278000 C 0.278969000 -2.507669000 -2.379534000 C 1.346109000 -1.765408000 -3.033735000 C 1.114259000 -0.472536000 -3.501021000 C 2.118566000 0.562437000 -3.309610000 C 1.424477000 1.809713000 -3.025658000 C 1.951639000 2.701980000 -2.090934000 C 1.072499000 3.369026000 -1.139458000 C 1.776663000 3.475765000 0.128975000 C 1.077523000 3.319063000 1.329263000 C -1.358604000 -0.212322000 2.688538000 C 3.166375000 0.616573000 2.745786000 C 2.143492000 -0.092775000 3.374548000 C 1.945611000 -1.504448000 3.073114000 C 2.787288000 -2.147335000 2.160652000 C 3.853687000 -1.407204000 1.509659000 C 4.336795000 0.880064000 0.721083000 C 3.648661000 2.128056000 1.006468000 C 2.923428000 1.966213000 2.257782000 C 1.667982000 2.550661000 2.417666000 C 0.601459000 1.812143000 3.075676000 C 0.833999000 0.518543000 3.543969000 C 0.519496000 -1.764894000 3.056390000 C -0.020764000 -2.652601000 2.115322000 C 0.857951000 -3.318423000 1.164425000 C 2.230035000 -3.075942000 1.188601000 C 2.961532000 -2.916104000 -0.060916000 C 3.962272000 -1.883652000 0.136874000 C 4.253288000 -0.986354000 -0.892933000 C 4.443554000 0.423825000 -0.594779000 C 3.084573000 2.867028000 -0.034504000 C 3.192695000 2.390034000 -1.407069000 C 3.860990000 1.194537000 -1.680603000 C 3.311747000 0.262244000 -2.651299000 C 3.554101000 -1.087457000 -2.163699000 C 2.592286000 -2.080685000 -2.353580000 C 2.291036000 -3.016582000 -1.280987000 C 0.860787000 -3.278151000 -1.304521000 C 0.157057000 -3.419110000 -0.105386000 C -0.169280000 -0.516625000 3.345274000 C -1.260578000 -2.344694000 1.441836000 C 4.040290000 -0.053877000 1.794419000 C -4.189249000 -1.257855000 -1.054862000 C -5.767614000 -1.881636000 0.691412000 H -4.274583000 -1.462704000 -2.128243000 H -6.328914000 -2.458697000 1.417131000 C -4.714948000 -2.466007000 -0.211143000 H -5.124221000 -3.250653000 -0.863067000 H -3.906286000 -2.946354000 0.354125000 C -5.080902000 -0.098732000 -0.626895000 C -5.922408000 -0.506980000 0.452247000 C -5.153159000 1.186286000 -1.131833000 H -4.556693000 1.480898000 -1.987820000 C -6.774146000 0.446215000 1.066093000 C -6.002809000 2.120192000 -0.516508000 H -7.413339000 0.152998000 1.894315000 H -6.048158000 3.135832000 -0.896578000 C -6.791516000 1.747708000 0.583751000 H -7.438406000 2.486032000 1.049921000