436
DiMes
 N                 -9.31398000   -9.60302500   -2.70834200
 N                 -9.22306800   -7.38278700   -2.00906400
 N                 -9.11142800   -5.20215600   -1.18781100
 N                 -9.94098100   -2.40086600   -0.16490300
 N                 -9.56379000   -0.00720800   -0.19086900
 N                -16.93754800   -1.42445000    2.82111800
 N                -14.74579500   -1.43657700    2.02892200
 N                -12.63662600   -1.44256900    1.02824700
 C                 -8.68003200  -10.70578400   -3.16975100
 C                -18.01898100   -0.72826000    3.24224900
 C                 -8.58928000   -8.53136300   -2.45666800
 C                 -8.47171800   -6.25314500   -1.66390100
 C                 -8.33792900   -4.13326600   -0.92287800
 C                 -8.71260700   -2.78570300   -0.49597700
 C                -10.30244800   -1.13982000    0.05585100
 C                -11.60126800   -0.71237800    0.57355200
 C                -15.87487300   -0.74482800    2.43959700
 C                -13.64785600   -0.74273600    1.50595000
 C                -10.67546000   -7.34384600   -1.97632900
 C                -11.35528900   -6.91802400   -3.12795000
 C                -11.34771000   -7.77471100   -0.82772500
 C                -12.75065300   -6.94409000   -3.10731000
 C                -12.74630000   -7.78527400   -0.85793400
 C                -13.46461000   -7.38096400   -1.98576900
 H                -13.29315300   -6.62422900   -3.99441600
 H                -13.28456400   -8.12916900    0.02182600
 C                -14.69580600   -2.87942600    2.19274500
 C                -15.18124000   -3.70587000    1.17311400
 C                -14.19395100   -3.39223500    3.39840800
 C                -15.16389000   -5.08686700    1.39175400
 C                -14.19527100   -4.77832700    3.56753500
 C                -14.67866700   -5.64191600    2.57895100
 H                -15.54789000   -5.74280100    0.61452100
 H                -13.81620300   -5.19222800    4.49942400
 N                 -6.55254100   -9.60899400   -3.11819000
 N                 -6.42286700   -7.39356300   -2.40553200
 N                 -6.28836000   -5.20835000   -1.59141900
 N                 -7.56744200   -2.02413100   -0.48578100
 N                 -5.20120800   -2.39377200   -0.84563500
 N                 -5.57972500   -0.00010700   -0.83046400
 N                 -2.30190000   -1.41852500   -0.37321900
 N                 -0.02681900   -1.40432900    0.13376900
 N                  2.27811000   -1.42962700    0.51382700
 C                 -7.29844500  -10.70805500   -3.37724900
 C                 -7.16705400   -8.53522700   -2.66422100
 C                 -7.04048000   -6.25708500   -1.86675800
 C                 -6.95171300   -4.13482000   -1.12135500
 C                 -6.47267300   -2.78470700   -0.81970400
 C                 -4.79842400   -1.12931400   -0.75837600
 C                 -3.41014300   -0.69357500   -0.60855500
 C                  3.40472800   -0.70458400    0.65708400
 C                 -1.19851400   -0.71653500   -0.18863500
 C                  1.18130800   -0.72650700    0.28801800
 C                 -5.01429400   -7.37220900   -2.76051300
 C                 -4.64491000   -6.83480500   -4.00340300
 C                 -4.08004800   -7.93453700   -1.88302200
 C                 -3.29450000   -6.87538300   -4.35557300
 C                 -2.74073300   -7.95893500   -2.28600700
 C                 -2.32786400   -7.43661800   -3.51423100
 H                 -2.99282200   -6.46736600   -5.31785900
 H                 -2.00485200   -8.40980700   -1.62489700
 C                 -0.10112300   -2.83661100    0.35823700
 C                  0.14087400   -3.71206000   -0.70834700
 C                 -0.46171200   -3.29380200    1.63255500
 C                 -0.00444700   -5.08114400   -0.47379300
 C                 -0.60080800   -4.67233900    1.81602700
 C                 -0.39009000   -5.57950500    0.77459200
 H                  0.17539900   -5.77404400   -1.29260700
 H                 -0.89649900   -5.04255200    2.79530000
 N                -16.91820900    1.36840200    2.88512800
 N                -14.72688400    1.38630600    2.09213800
 N                -12.62795600    1.41024700    1.07052900
 N                 -9.93962500    2.38629100   -0.13035700
 N                 -9.12894000    5.20948300   -1.10600700
 N                 -9.24554000    7.42259000   -1.84452900
 N                 -9.31292800    9.68826800   -2.39020300
 C                -18.00920100    0.66870400    3.27455300
 C                -15.86509300    0.69228400    2.47215100
 C                -13.64120200    0.70233400    1.53191000
 C                -11.59835500    0.68804800    0.59063700
 C                -10.30030600    1.12284600    0.07590100
 C                 -8.71771000    2.77558100   -0.48135100
 C                 -8.35385700    4.12770000   -0.90255000
 C                 -8.50077600    6.26522300   -1.58750900
 C                 -8.60891000    8.58136600   -2.26445000
 C                 -8.67771100   10.79832000   -2.83258600
 C                -10.69419100    7.41605300   -1.73066400
 C                -11.44603800    7.05067700   -2.85840400
 C                -11.29263600    7.82286100   -0.53354600
 C                -12.83688200    7.11705400   -2.76360700
 C                -12.69008000    7.87627500   -0.49007200
 C                -13.47788700    7.53732500   -1.59261300
 H                -13.43416200    6.84439700   -3.63110600
 H                -13.17119600    8.20396100    0.42815900
 C                -14.65097700    2.81711200    2.33300300
 C                -14.14590700    3.25369900    3.56679700
 C                -15.11432600    3.70703900    1.35728200
 C                -14.12025300    4.62863100    3.81060800
 C                -15.07032300    5.07328700    1.65022300
 C                -14.58002000    5.55368300    2.86784400
 H                -13.73840300    4.98393600    4.76522200
 H                -15.43634400    5.77768800    0.90765500
 N                 -2.27811000    1.42962700   -0.51382700
 N                  0.02681900    1.40432900   -0.13376900
 N                  2.30190000    1.41852500    0.37321900
 N                 -5.21293800    2.39141900   -0.91932600
 N                 -7.57274400    2.01382300   -0.50641500
 N                 -6.32894500    5.19450200   -1.65350700
 N                 -6.49417000    7.37418500   -2.47169600
 N                 -6.59250000    9.63624800   -3.02286800
 C                 -3.40472800    0.70458400   -0.65708400
 C                 -1.18130800    0.72650700   -0.28801800
 C                  1.19851400    0.71653500    0.18863500
 C                  3.41014300    0.69357500    0.60855500
 C                 -4.79852300    1.13276700   -0.80734200
 C                 -6.48690600    2.77507800   -0.86917000
 C                 -6.97631200    4.12424900   -1.15617500
 C                 -7.08632100    6.25015300   -1.88276300
 C                 -7.20881000    8.55563500   -2.58756100
 C                 -7.31734500   10.77180200   -3.15104400
 C                 -5.15904400    7.28879300   -3.03680500
 C                 -5.03311000    6.86763900   -4.36767200
 C                 -4.05347700    7.65789000   -2.26011400
 C                 -3.74922600    6.82522400   -4.91931300
 C                 -2.79322200    7.60407200   -2.85855000
 C                 -2.61925300    7.19074800   -4.18406000
 H                 -3.63351100    6.50426400   -5.95202000
 H                 -1.92585200    7.89796000   -2.27342800
 C                  0.10112300    2.83661100   -0.35823700
 C                 -0.14087400    3.71206000    0.70834700
 C                  0.46171200    3.29380200   -1.63255500
 C                  0.00444700    5.08114400    0.47379300
 C                  0.60080800    4.67233900   -1.81602700
 C                  0.39009000    5.57950500   -0.77459200
 H                 -0.17539900    5.77404400    1.29260700
 H                  0.89649900    5.04255200   -2.79530000
 C                 -9.46388700   11.99196400   -2.96416700
 N                -10.09725900   12.96106700   -3.06978700
 C                 -6.62776500   11.93601200   -3.62988800
 N                 -6.07110200   12.88095000   -4.01549800
 C                 -6.60734400  -11.86392800   -3.87354200
 N                 -6.04966300  -12.80207100   -4.27401600
 C                 -9.48895300  -11.86091300   -3.43709900
 N                -10.14076100  -12.79890900   -3.65334500
 C                -19.14417100    1.42444900    3.72274100
 N                -20.06602500    2.03345400    4.08437400
 C                -19.16457700   -1.48800600    3.65524600
 N                -20.09496100   -2.10023300    3.98848200
 Zn                -7.56765100   -0.00444500   -0.48953200
 N                  6.55254100    9.60899400    3.11819000
 N                  6.42286700    7.39356300    2.40553200
 N                  6.28836000    5.20835000    1.59141900
 N                  5.20120800    2.39377200    0.84563500
 N                  5.57972500    0.00010700    0.83046400
 C                  7.29844500   10.70805500    3.37724900
 C                  7.16705400    8.53522700    2.66422100
 C                  7.04048000    6.25708500    1.86675800
 C                  6.95171300    4.13482000    1.12135500
 C                  6.47267300    2.78470700    0.81970400
 C                  4.79842400    1.12931400    0.75837600
 C                  5.01429400    7.37220900    2.76051300
 C                  4.64491000    6.83480500    4.00340300
 C                  4.08004800    7.93453700    1.88302200
 C                  3.29450000    6.87538300    4.35557300
 C                  2.74073300    7.95893500    2.28600700
 C                  2.32786400    7.43661800    3.51423100
 H                  2.99282200    6.46736600    5.31785900
 H                  2.00485200    8.40980700    1.62489700
 N                  9.31398000    9.60302500    2.70834200
 N                  9.22306800    7.38278700    2.00906400
 N                  9.11142800    5.20215600    1.18781100
 N                  7.56744200    2.02413100    0.48578100
 N                  9.94098100    2.40086600    0.16490300
 N                  9.56379000    0.00720800    0.19086900
 N                 12.63662600    1.44256900   -1.02824700
 N                 14.74579500    1.43657700   -2.02892200
 N                 16.93754800    1.42445000   -2.82111800
 C                  8.68003200   10.70578400    3.16975100
 C                  8.58928000    8.53136300    2.45666800
 C                  8.47171800    6.25314500    1.66390100
 C                  8.33792900    4.13326600    0.92287800
 C                  8.71260700    2.78570300    0.49597700
 C                 10.30244800    1.13982000   -0.05585100
 C                 11.60126800    0.71237800   -0.57355200
 C                 18.01898100    0.72826000   -3.24224900
 C                 13.64785600    0.74273600   -1.50595000
 C                 15.87487300    0.74482800   -2.43959700
 C                 10.67546000    7.34384600    1.97632900
 C                 11.35528900    6.91802400    3.12795000
 C                 11.34771000    7.77471100    0.82772500
 C                 12.75065300    6.94409000    3.10731000
 C                 12.74630000    7.78527400    0.85793400
 C                 13.46461000    7.38096400    1.98576900
 H                 13.29315300    6.62422900    3.99441600
 H                 13.28456400    8.12916900   -0.02182600
 C                 14.69580600    2.87942600   -2.19274500
 C                 15.18124000    3.70587000   -1.17311400
 C                 14.19395100    3.39223500   -3.39840800
 C                 15.16389000    5.08686700   -1.39175400
 C                 14.19527100    4.77832700   -3.56753500
 C                 14.67866700    5.64191600   -2.57895100
 H                 15.54789000    5.74280100   -0.61452100
 H                 13.81620300    5.19222800   -4.49942400
 N                  5.21293800   -2.39141900    0.91932600
 N                  6.32894500   -5.19450200    1.65350700
 N                  6.49417000   -7.37418500    2.47169600
 N                  6.59250000   -9.63624800    3.02286800
 C                  4.79852300   -1.13276700    0.80734200
 C                  6.48690600   -2.77507800    0.86917000
 C                  6.97631200   -4.12424900    1.15617500
 C                  7.08632100   -6.25015300    1.88276300
 C                  7.20881000   -8.55563500    2.58756100
 C                  7.31734500  -10.77180200    3.15104400
 C                  5.15904400   -7.28879300    3.03680500
 C                  5.03311000   -6.86763900    4.36767200
 C                  4.05347700   -7.65789000    2.26011400
 C                  3.74922600   -6.82522400    4.91931300
 C                  2.79322200   -7.60407200    2.85855000
 C                  2.61925300   -7.19074800    4.18406000
 H                  3.63351100   -6.50426400    5.95202000
 H                  1.92585200   -7.89796000    2.27342800
 N                 12.62795600   -1.41024700   -1.07052900
 N                 14.72688400   -1.38630600   -2.09213800
 N                 16.91820900   -1.36840200   -2.88512800
 N                  9.93962500   -2.38629100    0.13035700
 N                  7.57274400   -2.01382300    0.50641500
 N                  9.12894000   -5.20948300    1.10600700
 N                  9.24554000   -7.42259000    1.84452900
 N                  9.31292800   -9.68826800    2.39020300
 C                 11.59835500   -0.68804800   -0.59063700
 C                 13.64120200   -0.70233400   -1.53191000
 C                 15.86509300   -0.69228400   -2.47215100
 C                 18.00920100   -0.66870400   -3.27455300
 C                 10.30030600   -1.12284600   -0.07590100
 C                  8.71771000   -2.77558100    0.48135100
 C                  8.35385700   -4.12770000    0.90255000
 C                  8.50077600   -6.26522300    1.58750900
 C                  8.60891000   -8.58136600    2.26445000
 C                  8.67771100  -10.79832000    2.83258600
 C                 10.69419100   -7.41605300    1.73066400
 C                 11.44603800   -7.05067700    2.85840400
 C                 11.29263600   -7.82286100    0.53354600
 C                 12.83688200   -7.11705400    2.76360700
 C                 12.69008000   -7.87627500    0.49007200
 C                 13.47788700   -7.53732500    1.59261300
 H                 13.43416200   -6.84439700    3.63110600
 H                 13.17119600   -8.20396100   -0.42815900
 C                 14.65097700   -2.81711200   -2.33300300
 C                 14.14590700   -3.25369900   -3.56679700
 C                 15.11432600   -3.70703900   -1.35728200
 C                 14.12025300   -4.62863100   -3.81060800
 C                 15.07032300   -5.07328700   -1.65022300
 C                 14.58002000   -5.55368300   -2.86784400
 H                 13.73840300   -4.98393600   -4.76522200
 H                 15.43634400   -5.77768800   -0.90765500
 C                  6.62776500  -11.93601200    3.62988800
 N                  6.07110200  -12.88095000    4.01549800
 C                  9.46388700  -11.99196400    2.96416700
 N                 10.09725900  -12.96106700    3.06978700
 C                  9.48895300   11.86091300    3.43709900
 N                 10.14076100   12.79890900    3.65334500
 C                  6.60734400   11.86392800    3.87354200
 N                  6.04966300   12.80207100    4.27401600
 Zn                 7.56765100    0.00444500    0.48953200
 C                 19.14417100   -1.42444900   -3.72274100
 N                 20.06602500   -2.03345400   -4.08437400
 C                 19.16457700    1.48800600   -3.65524600
 N                 20.09496100    2.10023300   -3.98848200
 C                 14.97509600    7.40777900    2.00395700
 H                 15.39116200    6.39195100    2.02188500
 H                 15.37803300    7.91847100    1.12375400
 H                 15.35426300    7.92465900    2.89326100
 C                 14.65807300    7.13773200   -2.78999100
 H                 13.65438200    7.54815400   -2.61542600
 H                 15.34713900    7.64855500   -2.10974200
 H                 14.93971100    7.40172800   -3.81533100
 C                 15.71677600    3.13146300    0.11491400
 H                 14.95679800    2.53232000    0.63021400
 H                 16.58688200    2.48830700   -0.06415200
 H                 16.02959000    3.92995900    0.79391700
 C                 13.67648700    2.48522600   -4.48906500
 H                 14.45467200    1.80428200   -4.85568200
 H                 12.83806500    1.87061300   -4.13934200
 H                 13.32436900    3.07154700   -5.34243800
 C                 15.65325400   -3.21335600   -0.03770600
 H                 16.53268200   -2.57324700   -0.17789700
 H                 14.89913100   -2.63368900    0.50756300
 H                 15.95215200   -4.05296400    0.59642400
 C                 13.65373700   -2.27918500   -4.61002400
 H                 12.82905500   -1.66307400   -4.23137000
 H                 14.44925200   -1.59921500   -4.93944000
 H                 13.29063100   -2.81200100   -5.49334400
 C                 14.52710300   -7.03564100   -3.15651900
 H                 15.25053900   -7.58909300   -2.54896300
 H                 13.53129700   -7.44510600   -2.93933600
 H                 14.74003100   -7.24687300   -4.21002000
 C                 10.59586700    8.22653700   -0.39979500
 H                  9.94120900    7.43396900   -0.78106500
 H                  9.97206400    9.10351400   -0.18816400
 H                 11.29000800    8.50004300   -1.19970600
 C                 10.61267800    6.45602400    4.35868800
 H                  9.97537200    7.24846400    4.77054400
 H                  9.97046600    5.59369300    4.14242500
 H                 11.31459500    6.15855300    5.14277600
 C                 10.78304500   -6.60935500    4.14116900
 H                 10.16408100   -5.71689700    3.98859300
 H                 10.13671400   -7.39276900    4.55624300
 H                 11.53354600   -6.36716100    4.89884800
 C                 10.46530900   -8.20787900   -0.66781900
 H                  9.84128300   -9.08541300   -0.45921600
 H                  9.80258400   -7.39041600   -0.97512600
 H                 11.10846900   -8.45412300   -1.51764700
 C                 14.98517300   -7.62561000    1.53667200
 H                 15.32880700   -8.02023500    0.57545500
 H                 15.44929200   -6.64185000    1.68279400
 H                 15.37428700   -8.28252000    2.32395500
 C                  4.21663200   -8.10598600    0.82920900
 H                  4.70252100   -7.33164000    0.22402900
 H                  4.82443900   -9.01636000    0.76219100
 H                  3.24384200   -8.32181400    0.37817300
 C                  6.23552400   -6.47738700    5.19375600
 H                  6.94953100   -7.30466200    5.29105200
 H                  6.77260800   -5.62904100    4.75208400
 H                  5.93076200   -6.18639400    6.20292500
 C                  1.24012300   -7.12259200    4.79670400
 H                  0.64606700   -8.00908600    4.54652100
 H                  1.28883200   -7.04722900    5.88758500
 H                  0.69074400   -6.24627500    4.42831900
 C                 -0.61752800   -7.05837200    0.97858800
 H                  0.11043700   -7.65981100    0.42212100
 H                 -0.55254700   -7.33530800    2.03552300
 H                 -1.61501300   -7.34922900    0.62504500
 C                 -0.71032100   -2.33769100    2.77396100
 H                  0.15964500   -1.69762000    2.96305400
 H                 -1.56589500   -1.68194200    2.57044200
 H                 -0.92609000   -2.88557800    3.69578100
 C                  0.53620400   -3.19628900   -2.06959400
 H                 -0.22916600   -2.52780600   -2.48189900
 H                  1.47908100   -2.63855100   -2.02439300
 H                  0.66989800   -4.02335200   -2.77322800
 C                  5.66448200    6.23523700    4.94135000
 H                  6.12633600    5.33935800    4.50892700
 H                  6.46953100    6.94227300    5.17573900
 H                  5.19531900    5.94436100    5.88541000
 C                  0.87471200    7.46493800    3.92673600
 H                  0.28934000    8.13396400    3.28801700
 H                  0.42494500    6.46507400    3.86311400
 H                  0.75944800    7.80324200    4.96279700
 C                  4.49853900    8.51866600    0.55611000
 H                  5.12257500    9.41006800    0.69341000
 H                  5.07129700    7.79809300   -0.03920700
 H                  3.62400100    8.81684700   -0.02929300
 C                  0.71032100    2.33769100   -2.77396100
 H                  1.56589500    1.68194200   -2.57044200
 H                 -0.15964500    1.69762000   -2.96305400
 H                  0.92609000    2.88557800   -3.69578100
 C                  0.61752800    7.05837200   -0.97858800
 H                  0.55254700    7.33530800   -2.03552300
 H                 -0.11043700    7.65981100   -0.42212100
 H                  1.61501300    7.34922900   -0.62504500
 C                 -0.53620400    3.19628900    2.06959400
 H                 -1.47908100    2.63855100    2.02439300
 H                  0.22916600    2.52780600    2.48189900
 H                 -0.66989800    4.02335200    2.77322800
 C                 -1.24012300    7.12259200   -4.79670400
 H                 -0.64606700    8.00908600   -4.54652100
 H                 -0.69074400    6.24627500   -4.42831900
 H                 -1.28883200    7.04722900   -5.88758500
 C                 -6.23552400    6.47738700   -5.19375600
 H                 -6.77260800    5.62904100   -4.75208400
 H                 -6.94953100    7.30466200   -5.29105200
 H                 -5.93076200    6.18639400   -6.20292500
 C                 -4.21663200    8.10598600   -0.82920900
 H                 -4.82443900    9.01636000   -0.76219100
 H                 -4.70252100    7.33164000   -0.22402900
 H                 -3.24384200    8.32181400   -0.37817300
 C                -10.78304500    6.60935500   -4.14116900
 H                -10.13671400    7.39276900   -4.55624300
 H                -10.16408100    5.71689700   -3.98859300
 H                -11.53354600    6.36716100   -4.89884800
 C                -10.46530900    8.20787900    0.66781900
 H                 -9.80258400    7.39041600    0.97512600
 H                 -9.84128300    9.08541300    0.45921600
 H                -11.10846900    8.45412300    1.51764700
 C                -14.98517300    7.62561000   -1.53667200
 H                -15.44929200    6.64185000   -1.68279400
 H                -15.32880700    8.02023500   -0.57545500
 H                -15.37428700    8.28252000   -2.32395500
 C                 -4.49853900   -8.51866600   -0.55611000
 H                 -5.07129700   -7.79809300    0.03920700
 H                 -5.12257500   -9.41006800   -0.69341000
 H                 -3.62400100   -8.81684700    0.02929300
 C                 -5.66448200   -6.23523700   -4.94135000
 H                 -6.46953100   -6.94227300   -5.17573900
 H                 -6.12633600   -5.33935800   -4.50892700
 H                 -5.19531900   -5.94436100   -5.88541000
 C                 -0.87471200   -7.46493800   -3.92673600
 H                 -0.42494500   -6.46507400   -3.86311400
 H                 -0.28934000   -8.13396400   -3.28801700
 H                 -0.75944800   -7.80324200   -4.96279700
 C                -10.61267800   -6.45602400   -4.35868800
 H                 -9.97046600   -5.59369300   -4.14242500
 H                 -9.97537200   -7.24846400   -4.77054400
 H                -11.31459500   -6.15855300   -5.14277600
 C                -10.59586700   -8.22653700    0.39979500
 H                 -9.97206400   -9.10351400    0.18816400
 H                 -9.94120900   -7.43396900    0.78106500
 H                -11.29000800   -8.50004300    1.19970600
 C                -14.97509600   -7.40777900   -2.00395700
 H                -15.37803300   -7.91847100   -1.12375400
 H                -15.39116200   -6.39195100   -2.02188500
 H                -15.35426300   -7.92465900   -2.89326100
 C                -13.67648700   -2.48522600    4.48906500
 H                -12.83806500   -1.87061300    4.13934200
 H                -14.45467200   -1.80428200    4.85568200
 H                -13.32436900   -3.07154700    5.34243800
 C                -15.71677600   -3.13146300   -0.11491400
 H                -16.58688200   -2.48830700    0.06415200
 H                -14.95679800   -2.53232000   -0.63021400
 H                -16.02959000   -3.92995900   -0.79391700
 C                -14.65807300   -7.13773200    2.78999100
 H                -15.34713900   -7.64855500    2.10974200
 H                -13.65438200   -7.54815400    2.61542600
 H                -14.93971100   -7.40172800    3.81533100
 C                -13.65373700    2.27918500    4.61002400
 H                -14.44925200    1.59921500    4.93944000
 H                -12.82905500    1.66307400    4.23137000
 H                -13.29063100    2.81200100    5.49334400
 C                -15.65325400    3.21335600    0.03770600
 H                -14.89913100    2.63368900   -0.50756300
 H                -16.53268200    2.57324700    0.17789700
 H                -15.95215200    4.05296400   -0.59642400
 C                -14.52710300    7.03564100    3.15651900
 H                -13.53129700    7.44510600    2.93933600
 H                -15.25053900    7.58909300    2.54896300
 H                -14.74003100    7.24687300    4.21002000
380
DiEtPr
 N                 -6.27632900   -9.98677000   -0.00002200
 N                  9.04671500   -9.99461700   -0.00005100
 N                 -6.23650500   -7.65307300   -0.00002000
 N                  9.08626200   -7.66094900   -0.00004400
 N                 -6.24968900   -5.32444700   -0.00001300
 N                  9.07274700   -5.33249700   -0.00003100
 N                 -7.66477900   -2.01229400   -0.00001300
 N                  7.65772800   -2.02032400   -0.00000700
 N                 -5.26444800   -2.39853300    0.00000000
 N                 10.05748900   -2.40754200   -0.00001800
 N                 -5.64598100    0.00060100    0.00000300
 N                  9.67759400   -0.00742700   -0.00000100
 N                 -9.05043000   -9.98908600   -0.00004000
 N                  6.27261600   -9.99733400   -0.00003800
 N                 -9.09378700   -7.66292500   -0.00003700
 N                  6.22899000   -7.67114800   -0.00003100
 N                 -9.08263800   -5.32519000   -0.00002900
 N                  6.23980100   -5.33321200   -0.00002100
 N                -10.06465600   -2.39252900   -0.00002700
 N                  5.25723500   -2.39953400    0.00000000
 N                 -9.67759400    0.00742700   -0.00001900
 N                  5.64598100   -0.00060100    0.00001400
 N                -17.65227000   -1.38058900   -0.00004300
 N                 -2.33151600   -1.41865900    0.00002200
 N                 12.99057700   -1.42560600   -0.00001900
 N                -15.31861500   -1.42054400   -0.00004600
 N                  0.00497900   -1.42630200    0.00003400
 N                 15.32834000   -1.43678900   -0.00001400
 N                -12.99010400   -1.40748300   -0.00003700
 N                  2.33160500   -1.41601900    0.00002000
 N                 17.65448900   -1.39354100   -0.00001500
 C                 -6.96482900  -11.15000200   -0.00002800
 C                  8.35841800  -11.15789000   -0.00005200
 C                 -8.35869500  -11.15093600   -0.00003800
 C                  6.96455500  -11.15915200   -0.00004400
 C                 -6.94091900   -8.84765200   -0.00002500
 C                  8.38203000   -8.85555000   -0.00004500
 C                 -6.94120600   -6.44996800   -0.00002000
 C                  8.38140300   -6.45816000   -0.00003600
 C                 -6.96925300   -4.19005200   -0.00001400
 C                  8.35301000   -4.19840400   -0.00002200
 C                 -6.53467100   -2.79526100   -0.00000800
 C                  8.78812300   -2.80409500   -0.00001600
 C                 -4.86239300   -1.13068800    0.00000500
 C                 10.45938300   -1.13923800   -0.00001100
 C                -18.81539500   -0.69205600   -0.00004200
 C                 -3.46579800   -0.69887000    0.00001600
 C                 11.85514400   -0.70732000   -0.00001300
 C                 -8.38567600   -8.84924700   -0.00003300
 C                  6.93727500   -8.85743400   -0.00003900
 C                 -8.39251800   -6.45104700   -0.00002800
 C                  6.93009500   -6.45891500   -0.00003000
 C                 -8.36441200   -4.18989400   -0.00002200
 C                  6.95784300   -4.19760400   -0.00001800
 C                 -8.79689600   -2.79411700   -0.00002100
 C                  6.52587100   -2.80132700   -0.00000800
 C                -10.46144700   -1.12259700   -0.00002600
 C                  4.86023000   -1.13006500    0.00000900
 C                -11.85572200   -0.68790300   -0.00003100
 C                  3.46512100   -0.69531700    0.00001900
 C                 18.81634200   -0.70182100   -0.00001200
 C                -16.51306000   -0.71608300   -0.00003900
 C                 -1.20312700   -0.72905300    0.00003100
 C                 14.11638600   -0.73552700   -0.00001700
 C                -14.11559600   -0.71595900   -0.00004400
 C                  1.20373700   -0.72469800    0.00003200
 C                 16.51465300   -0.72871900   -0.00000900
 N                -17.65449000    1.39353900   -0.00003500
 N                 -2.33160500    1.41601900    0.00002900
 N                 12.99010500    1.40748300    0.00000100
 N                -15.32834000    1.43678900   -0.00003000
 N                 -0.00497900    1.42630200    0.00004900
 N                 15.31861500    1.42054300   -0.00000400
 N                -12.99057700    1.42560600   -0.00003100
 N                  2.33151600    1.41866000    0.00003700
 N                 17.65227000    1.38058800    0.00000200
 N                -10.05748900    2.40754200   -0.00001600
 N                  5.26444800    2.39853300    0.00003100
 N                 -5.25723500    2.39953400    0.00001100
 N                 10.06465600    2.39253000    0.00001400
 N                 -7.65772800    2.02032400   -0.00000400
 N                  7.66477900    2.01229400    0.00002000
 N                 -6.23980100    5.33321300    0.00001200
 N                  9.08263800    5.32519100    0.00003700
 N                 -6.22899100    7.67114800    0.00002000
 N                  9.09378700    7.66292600    0.00005400
 N                 -6.27261600    9.99733400    0.00003000
 N                  9.05043000    9.98908700    0.00006600
 N                 -9.07274700    5.33249700   -0.00000500
 N                  6.24969000    5.32444700    0.00004800
 N                 -9.08626200    7.66095000    0.00000100
 N                  6.23650500    7.65307400    0.00006600
 N                 -9.04671500    9.99461700    0.00001200
 N                  6.27632900    9.98677000    0.00007700
 C                -18.81634200    0.70182000   -0.00003900
 C                 -3.46512200    0.69531700    0.00001900
 C                 11.85572200    0.68790300   -0.00000200
 C                -16.51465300    0.72871700   -0.00003300
 C                 -1.20373700    0.72469800    0.00003900
 C                 14.11559600    0.71595900   -0.00001000
 C                -14.11638600    0.73552600   -0.00003800
 C                  1.20312700    0.72905400    0.00003800
 C                 16.51306000    0.71608100   -0.00000200
 C                -11.85514400    0.70732100   -0.00002900
 C                  3.46579800    0.69887000    0.00002800
 C                 18.81539500    0.69205500   -0.00000200
 C                -10.45938300    1.13923800   -0.00002100
 C                  4.86239300    1.13068800    0.00002400
 C                 -4.86023000    1.13006500    0.00001000
 C                 10.46144700    1.12259800    0.00000400
 C                 -8.78812300    2.80409500   -0.00000800
 C                  6.53467100    2.79526100    0.00002900
 C                 -6.52587100    2.80132700    0.00000500
 C                  8.79689600    2.79411800    0.00002100
 C                 -6.95784300    4.19760400    0.00000500
 C                  8.36441300    4.18989500    0.00003200
 C                 -8.35301000    4.19840400   -0.00000300
 C                  6.96925300    4.19005300    0.00003800
 C                 -6.93009600    6.45891600    0.00001100
 C                  8.39251800    6.45104700    0.00004800
 C                 -6.93727500    8.85743500    0.00002100
 C                  8.38567600    8.84924800    0.00006300
 C                 -6.96455500   11.15915300    0.00003000
 C                  8.35869500   11.15093600    0.00007500
 C                 -8.38140400    6.45816100    0.00000100
 C                  6.94120700    6.44996900    0.00005300
 C                 -8.38203000    8.85555100    0.00001100
 C                  6.94091900    8.84765300    0.00006900
 C                 -8.35841800   11.15789000    0.00002200
 C                  6.96482900   11.15000300    0.00008000
 C                 -9.12418000   12.37136700    0.00002300
 N                 -9.74568800   13.35387700    0.00002300
 C                 -6.20098200   12.37391100    0.00004200
 N                 -5.57991100   13.35675000    0.00005100
 C                  6.19941500   12.36363600    0.00009000
 N                  5.57838100   13.34645000    0.00009700
 C                  9.12262800   12.36553400    0.00007700
 N                  9.74421000   13.34804700    0.00008000
 C                 20.02910700    1.45744900    0.00000300
 N                 21.01197700    2.07840100    0.00000700
 C                 20.03100400   -1.46565600   -0.00001800
 N                 21.01373000   -2.08691400   -0.00002200
 C                  9.12417900  -12.37136700   -0.00005800
 N                  9.74568800  -13.35387600   -0.00006400
 C                  6.20098200  -12.37391000   -0.00004400
 N                  5.57991000  -13.35674900   -0.00004400
 C                 -6.19941500  -12.36363500   -0.00002400
 N                 -5.57838200  -13.34645000   -0.00002100
 C                 -9.12262700  -12.36553300   -0.00004300
 N                 -9.74420900  -13.34804600   -0.00005000
 Zn                -7.66054800    0.00401900   -0.00000800
 Zn                 7.66054800   -0.00401900    0.00000600
 C                -15.34601600   -2.92420100   -0.00004900
 H                -16.41251900   -3.14703600    0.00003100
 C                -15.30769400    2.94058200   -0.00002000
 H                -14.24182200    3.16642700   -0.00007800
 C                -10.58997200    7.68803700   -0.00000800
 H                -10.81299300    8.75450200    0.00001800
 C                 -4.72555000    7.65058900    0.00003200
 H                 -4.49949500    6.58473400    0.00003000
 C                -10.59762200   -7.64231000   -0.00004900
 H                -10.82349900   -6.57644800   -0.00005600
 C                 -4.73317900   -7.68027700   -0.00001400
 H                 -4.51014100   -8.74676600   -0.00001900
 C                 -0.01786100   -2.92849100    0.00002900
 H                 -1.08378100   -3.15367700   -0.00001600
 C                  0.01786200    2.92849100    0.00006000
 H                  1.08378200    3.15367600   -0.00002800
 C                  4.72554900   -7.65058800   -0.00002200
 H                  4.49949400   -6.58473400   -0.00001100
 C                 10.58997200   -7.68803700   -0.00004800
 H                 10.81299200   -8.75450200   -0.00002700
 C                  4.73317900    7.68027800    0.00007400
 H                  4.51014100    8.74676700    0.00008300
 C                 10.59762200    7.64231100    0.00005000
 H                 10.82349900    6.57644800    0.00003500
 C                 15.34601700    2.92420000    0.00000500
 H                 16.41252000    3.14703500    0.00009100
 C                 15.30769200   -2.94058300   -0.00001800
 H                 14.24182000   -3.16642700   -0.00007900
 C                 14.74504100    3.52591100   -1.28524900
 H                 13.65965600    3.39658200   -1.28767400
 C                 14.74483200    3.52589200    1.28517000
 H                 13.65944800    3.39654400    1.28742400
 C                 15.91057400   -3.53814300   -1.28606300
 H                 16.99420300   -3.39475400   -1.29808900
 C                 15.91042700   -3.53815400    1.28609100
 H                 16.99405500   -3.39477700    1.29823800
 C                 11.19514600    8.24512700    1.28613700
 H                 11.05176600    9.32875500    1.29823500
 C                 11.19513800    8.24516100   -1.28602400
 H                 11.05175800    9.32879000   -1.29809300
 C                  4.13146800    7.07889200   -1.28504200
 H                  4.26085900    5.99352800   -1.28714300
 C                  4.13148200    7.07887200    1.28518700
 H                  4.26087500    5.99350900    1.28727000
 C                 11.19154300   -7.08680400    1.28514500
 H                 11.06204500   -6.00143900    1.28745500
 C                 11.19153800   -7.08685700   -1.28526800
 H                 11.06204400   -6.00149100   -1.28762100
 C                  4.12795000   -8.25355300   -1.28605000
 H                  4.27144100   -9.33716700   -1.29806200
 C                  4.12796500   -8.25357600    1.28600200
 H                  4.27145900   -9.33719000    1.29799300
 C                 -0.58466900    3.53081000   -1.28446500
 H                 -1.66978600    3.39952300   -1.28790200
 C                 -0.58444500    3.53079800    1.28469800
 H                 -1.66956300    3.39952900    1.28831400
 C                  0.58450400   -3.53080800    1.28463400
 H                  1.66962200   -3.39953300    1.28820500
 C                  0.58461400   -3.53079800   -1.28452900
 H                  1.66973100   -3.39951200   -1.28801100
 C                 -4.13148000   -7.07888800    1.28510600
 H                 -4.26087200   -5.99352500    1.28720200
 C                 -4.13147100   -7.07887400   -1.28512300
 H                 -4.26086300   -5.99351100   -1.28721000
 C                -11.19513000   -8.24515000   -1.28613200
 H                -11.05174800   -9.32877800   -1.29821100
 C                -11.19515200   -8.24513900    1.28602800
 H                -11.05177300   -9.32876800    1.29811700
 C                 -4.12796700    8.25356000    1.28606400
 H                 -4.27146000    9.33717400    1.29806800
 C                 -4.12794800    8.25356900   -1.28598700
 H                 -4.27144000    9.33718300   -1.29798600
 C                -11.19153400    7.08686300   -1.28523300
 H                -11.06203900    6.00149800   -1.28759200
 C                -11.19154700    7.08679700    1.28518000
 H                -11.06204800    6.00143200    1.28748500
 C                -15.91057600    3.53815400   -1.28605900
 H                -16.99420500    3.39476400   -1.29808600
 C                -15.91042900    3.53814000    1.28609400
 H                -16.99405800    3.39476200    1.29824000
 C                -14.74503400   -3.52590100   -1.28530600
 H                -13.65964900   -3.39657100   -1.28772500
 C                -14.74483600   -3.52590200    1.28511400
 H                -13.65945200   -3.39655500    1.28737300
 C                -20.03100400    1.46565400   -0.00004000
 N                -21.01373200    2.08691000   -0.00003900
 C                -20.02910700   -1.45745100   -0.00004600
 N                -21.01197700   -2.07840200   -0.00004900
 H                -15.73924800    4.62079700    1.22043200
 H                -15.73940000    4.62081100   -1.22039900
 H                -14.93462700   -4.60587800    1.22395800
 H                -14.93483400   -4.60587500   -1.22413000
 H                -12.27153600    7.27647000   -1.22407900
 H                -12.27154900    7.27640200    1.22402200
 H                 -3.04525100    8.08236400    1.22042400
 H                 -3.04523300    8.08237300   -1.22033300
 H                -12.27778300   -8.07397100   -1.22050200
 H                -12.27780300   -8.07395900    1.22037900
 H                 -3.05140200   -7.26849200   -1.22397600
 H                 -3.05141100   -7.26850500    1.22396400
 H                 -0.39707200    4.61144500   -1.22326100
 H                 -0.39683800    4.61143000    1.22348000
 H                  0.39701600   -4.61143300   -1.22332700
 H                  0.39690200   -4.61144100    1.22341200
 H                  3.05140100    7.26851000   -1.22389100
 H                  3.05141400    7.26849000    1.22405000
 H                 12.27779000    8.07398100   -1.22038900
 H                 12.27779700    8.07394700    1.22049200
 H                  3.04523500   -8.08235700   -1.22039500
 H                  3.04524900   -8.08238100    1.22036200
 H                 12.27154600   -7.27641000    1.22398900
 H                 12.27153900   -7.27646500   -1.22411200
 H                 15.73924500   -4.62081000    1.22041700
 H                 15.73939700   -4.62080100   -1.22041400
 H                 14.93462400    4.60586800    1.22402400
 H                 14.93484100    4.60588400   -1.22406400
 C                -10.64817400    7.69560800   -2.58222500
 H                -10.76920900    8.78510000   -2.59883000
 H                 -9.58300600    7.47475700   -2.71918600
 H                -11.17826400    7.28722800   -3.44935800
 C                -10.64820500    7.69547800    2.58220900
 H                 -9.58303800    7.47462400    2.71917200
 H                -10.76924500    8.78496800    2.59886800
 H                -11.17830400    7.28705200    3.44931500
 C                 -4.65813000    7.62963500    2.58137400
 H                 -5.72633500    7.83236000    2.72216200
 H                 -4.52068900    6.54198400    2.59017400
 H                 -4.13264800    8.04268800    3.44905400
 C                 -4.65809200    7.62965400   -2.58131000
 H                 -4.52065100    6.54200300   -2.59011600
 H                 -5.72629400    7.83238100   -2.72211200
 H                 -4.13259600    8.04271300   -3.44897900
 C                -15.28672300    3.00801300   -2.58141000
 H                -14.19903700    3.14522700   -2.59012500
 H                -15.48968600    1.93986300   -2.72256500
 H                -15.69941000    3.53399400   -3.44892700
 C                -15.28643700    3.00797300    2.58136900
 H                -15.48939600    1.93982400    2.72253100
 H                -14.19874900    3.14517600    2.58996400
 H                -15.69902200    3.53394700    3.44893900
 C                -15.35374800   -2.98241500   -2.58226100
 H                -16.44326600   -3.10322200   -2.59879000
 H                -15.13269500   -1.91730000   -2.71923300
 H                -14.94554200   -3.51258000   -3.44943400
 C                -15.35336400   -2.98243500    2.58216400
 H                -15.13230900   -1.91731700    2.71911000
 H                -16.44287700   -3.10326100    2.59885500
 H                -14.94502000   -3.51259900    3.44927300
 C                -10.66496900   -7.62121400   -2.58143500
 H                -10.80221700   -6.53353400   -2.59010100
 H                 -9.59680500   -7.82416300   -2.72257400
 H                -11.19092900   -8.03386600   -3.44897800
 C                -10.66501100   -7.62119400    2.58133500
 H                 -9.59685000   -7.82414500    2.72249300
 H                -10.80225700   -6.53351400    2.58999000
 H                -11.19098700   -8.03383900    3.44887200
 C                 -4.67495700   -7.68735500    2.58218000
 H                 -5.74010600   -7.46644200    2.71881400
 H                 -4.55407200   -8.77686400    2.59911300
 H                 -4.14519800   -7.27861500    3.44938400
 C                 -4.67493800   -7.68732900   -2.58220700
 H                 -4.55405200   -8.77683800   -2.59915100
 H                 -5.74008700   -7.46641600   -2.71884700
 H                 -4.14517200   -7.27858100   -3.44940300
 C                 -0.02539800   -2.98860600   -2.58145500
 H                 -1.11517200   -3.10787800   -2.59501700
 H                  0.19551700   -1.92356400   -2.71817500
 H                  0.38178000   -3.51903100   -3.44922000
 C                 -0.02561000   -2.98861800    2.58151200
 H                  0.19530400   -1.92357800    2.71825600
 H                 -1.11538700   -3.10787900    2.59498400
 H                  0.38149100   -3.51905100    3.44930800
 C                  0.02528800    2.98863400   -2.58142300
 H                  1.11506100    3.10790800   -2.59503200
 H                 -0.19563100    1.92359300   -2.71814500
 H                 -0.38192900    3.51906700   -3.44916600
 C                  0.02572200    2.98858900    2.58154300
 H                 -0.19519300    1.92354900    2.71828500
 H                  1.11550000    3.10784300    2.59496900
 H                 -0.38133900    3.51901500    3.44936300
 C                  4.67493400    7.68736200   -2.58211900
 H                  4.55404900    8.77687200   -2.59904900
 H                  5.74008200    7.46644900   -2.71876400
 H                  4.14516600    7.27862600   -3.44932000
 C                  4.67496100    7.68732300    2.58226800
 H                  5.74011100    7.46640900    2.71889800
 H                  4.55407500    8.77683200    2.59921500
 H                  4.14520300    7.27857300    3.44946800
 C                 10.66498300    7.62123800   -2.58133600
 H                 10.80223000    6.53355800   -2.59001100
 H                  9.59682000    7.82419100   -2.72247800
 H                 11.19094900    8.03389800   -3.44887100
 C                 10.66499700    7.62117000    2.58143400
 H                  9.59683400    7.82411900    2.72258800
 H                 10.80224300    6.53348900    2.59008000
 H                 11.19096800    8.03380600    3.44897800
 C                 15.35375900    2.98243500   -2.58220700
 H                 16.44327700    3.10324300   -2.59873100
 H                 15.13270700    1.91732200   -2.71918900
 H                 14.94555700    3.51260800   -3.44937700
 C                 15.35335600    2.98241400    2.58221800
 H                 15.13230000    1.91729500    2.71915500
 H                 16.44286900    3.10324100    2.59891400
 H                 14.94500800    3.51257100    3.44933000
 C                 15.28672200   -3.00798900   -2.58141000
 H                 14.19903600   -3.14520300   -2.59012600
 H                 15.48968600   -1.93983800   -2.72255400
 H                 15.69940800   -3.53396300   -3.44893100
 C                 15.28643400   -3.00800000    2.58137000
 H                 15.48939300   -1.93985200    2.72254200
 H                 14.19874600   -3.14520200    2.58996300
 H                 15.69901700   -3.53398200    3.44893400
 C                 10.64818100   -7.69559400   -2.58226500
 H                 10.76921500   -8.78508500   -2.59887600
 H                  9.58301400   -7.47474000   -2.71922800
 H                 11.17827500   -7.28720900   -3.44939400
 C                 10.64819700   -7.69549200    2.58216900
 H                  9.58303000   -7.47463900    2.71912900
 H                 10.76923700   -8.78498300    2.59882200
 H                 11.17829400   -7.28707100    3.44927900
 C                  4.65809600   -7.62962100   -2.58136400
 H                  4.52065500   -6.54197100   -2.59015700
 H                  5.72629800   -7.83234700   -2.72216700
 H                  4.13260200   -8.04266900   -3.44903900
 C                  4.65812500   -7.62966700    2.58132100
 H                  5.72632900   -7.83239300    2.72210800
 H                  4.52068200   -6.54201600    2.59013400
 H                  4.13264100   -8.04273100    3.44899400
646
DiBuPh
 N                 -9.51990600   -9.15871100   -3.87577500
 N                 -9.30005800   -7.19117100   -2.64431500
 N                 -9.10273600   -5.12115600   -1.58112200
 N                 -9.83542200   -2.39254300   -0.26475300
 N                 -9.47424000   -0.00003100   -0.35385600
 N                -15.85154700   -1.39156100    4.39802500
 N                -14.12400400   -1.41812300    2.82913000
 N                -12.29044500   -1.42351700    1.38070200
 C                 -8.97036000  -10.12342300   -4.64522900
 C                -16.71132100   -0.69870800    5.17673000
 C                 -8.74130200   -8.19669600   -3.42309400
 C                 -8.51225600   -6.11112600   -2.22374700
 C                 -8.30498900   -4.09021700   -1.24846300
 C                 -8.63889300   -2.77324000   -0.70199600
 C                -10.16844600   -1.13214900    0.00396100
 C                -11.37188000   -0.70031400    0.71487000
 C                -15.01821900   -0.71849400    3.63078700
 C                -13.17603800   -0.72376900    2.06353100
 C                -10.73327000   -7.20977000   -2.41472100
 C                -11.54767300   -6.30934400   -3.09262000
 C                -11.26853200   -8.19208400   -1.58984100
 C                -12.93909100   -6.37983000   -2.95331400
 C                -12.65639700   -8.31818900   -1.45684900
 C                -13.46415100   -7.39771400   -2.14211100
 C                -14.09979300   -2.86659600    2.91874200
 C                -15.18917600   -3.58823700    2.44468800
 C                -13.03565500   -3.49639100    3.55530700
 C                -15.25360100   -4.97298200    2.63923700
 C                -13.04535900   -4.88550100    3.73038500
 C                -14.16827400   -5.59410300    3.27585400
 N                 -6.81241200   -9.10740800   -4.50597300
 N                 -6.52799000   -7.15108500   -3.25978200
 N                 -6.31564100   -5.10320000   -2.15000900
 N                 -7.48556000   -2.02225100   -0.70681200
 N                 -5.14536300   -2.39009800   -1.20610700
 N                 -5.51651300    0.00006100   -1.15691600
 N                 -2.24712200   -1.41940400   -0.64144000
 N                  0.00002600   -1.41952300   -0.00045600
 N                  2.24714700   -1.41943800    0.64061900
 C                 -7.61138000  -10.09507400   -4.96539600
 C                 -7.34065900   -8.17264300   -3.74250400
 C                 -7.09623400   -6.09886100   -2.52300800
 C                 -6.93260900   -4.08557600   -1.52364400
 C                 -6.41972700   -2.76925200   -1.14642400
 C                 -4.73533100   -1.13064800   -1.09284300
 C                 -3.35037300   -0.69850400   -0.90166000
 C                  3.35037700   -0.69855000    0.90095500
 C                 -1.16475000   -0.72374900   -0.34071300
 C                  1.16478000   -0.72376800    0.33991000
 C                 -5.13758600   -7.10762000   -3.67659100
 C                 -4.29384100   -8.15750300   -3.32866700
 C                 -4.69414700   -6.06538400   -4.48518800
 C                 -2.98831400   -8.20888100   -3.83180500
 C                 -3.37693700   -6.05337600   -4.95865500
 C                 -2.55337600   -7.14122400   -4.63120200
 C                  0.00003100   -2.86943700   -0.00051200
 C                  0.88415700   -3.55482200   -0.82734900
 C                 -0.88409200   -3.55489200    0.82627000
 C                  0.92497800   -4.95339100   -0.81254400
 C                 -0.92493000   -4.95345800    0.81133300
 C                  0.00001600   -5.62745800   -0.00064300
 N                -15.85151800    1.39087700    4.39824400
 N                -14.12401200    1.41765100    2.82930500
 N                -12.29046900    1.42321600    1.38084900
 N                 -9.83545900    2.39246700   -0.26446000
 N                 -9.10282800    5.12127700   -1.58043700
 N                 -9.30020100    7.19146500   -2.64329800
 N                 -9.52013700    9.15906700   -3.87464800
 C                -16.71130100    0.69792000    5.17684500
 C                -15.01821100    0.71791600    3.63089100
 C                -13.17604900    0.72338800    2.06361100
 C                -11.37189400    0.70009500    0.71494200
 C                -10.16846200    1.13203100    0.00409500
 C                 -8.63893700    2.77324300   -0.70165200
 C                 -8.30506100    4.09030100   -1.24794300
 C                 -8.51238200    6.11134500   -2.22293800
 C                 -8.74150100    8.19703000   -3.42206900
 C                 -8.97064400   10.12382300   -4.64408300
 C                -10.73339100    7.21006400   -2.41358200
 C                -11.26856600    8.19238000   -1.58864600
 C                -11.54787200    6.30965000   -3.09140400
 C                -12.65641700    8.31849800   -1.45551700
 C                -12.93927500    6.38014800   -2.95195900
 C                -13.46424700    7.39803500   -2.14070400
 C                -14.09977700    2.86611300    2.91911900
 C                -13.03549800    3.49582600    3.55553100
 C                -15.18926500    3.58781900    2.44540400
 C                -13.04515500    4.88491400    3.73077700
 C                -15.25365200    4.97253600    2.64016100
 C                -14.16817700    5.59357700    3.27660100
 N                 -2.24714600    1.41952500   -0.64129000
 N                  0.00000500    1.41961700   -0.00030600
 N                  2.24715200    1.41949300    0.64069200
 N                 -5.14540300    2.39023300   -1.20583900
 N                 -7.48558800    2.02227800   -0.70658000
 N                 -6.31575200    5.10343300   -2.14940400
 N                 -6.52816500    7.15145100   -3.25891500
 N                 -6.81268300    9.10781000   -4.50502000
 C                 -3.35038500    0.69863400   -0.90158300
 C                 -1.16476000    0.72385800   -0.34064000
 C                  1.16477700    0.72384200    0.33996300
 C                  3.35038200    0.69858700    0.90098100
 C                 -4.73535300    1.13077300   -1.09271700
 C                 -6.41977400    2.76935600   -1.14610400
 C                 -6.93268600    4.08572100   -1.52314900
 C                 -7.09637000    6.09913200   -2.52225100
 C                 -7.34087900    8.17300800   -3.74156100
 C                 -7.61168400   10.09549600   -4.96434200
 C                 -5.13775400    7.10810700   -3.67570400
 C                 -4.69424400    6.06601200   -4.48444200
 C                 -4.29407600    8.15799000   -3.32761600
 C                 -3.37702400    6.05414800   -4.95788900
 C                 -2.98854300    8.20951200   -3.83072100
 C                 -2.55353000    7.14199500   -4.63026400
 C                 -0.00001900    2.86953200   -0.00019300
 C                 -0.88421000    3.55487100    0.82661300
 C                  0.88414300    3.55503500   -0.82689400
 C                 -0.92507500    4.95343900    0.81184000
 C                  0.92493600    4.95360200   -0.81191900
 C                 -0.00009000    5.62755400    0.00000500
 C                 -9.84267900   11.16457900   -5.11001400
 N                -10.54681800   12.00993400   -5.48565900
 C                 -6.99903400   11.10148700   -5.78496300
 N                 -6.50145500   11.91798400   -6.44632000
 C                 -6.99867200  -11.10102400   -5.78602400
 N                 -6.50104400  -11.91748800   -6.44738500
 C                 -9.84236200  -11.16415300   -5.11127700
 N                -10.54647400  -12.00948900   -5.48701700
 C                -17.61275900    1.46055200    5.99324400
 N                -18.34525100    2.07740000    6.65243600
 C                -17.61281100   -1.46144900    5.99299100
 N                -18.34533000   -2.07838400    6.65207200
 Zn                -7.48907900    0.00001700   -0.72647100
 N                  6.81230100    9.10733500    4.50573600
 N                  6.52795700    7.15100500    3.25954000
 N                  6.31564500    5.10318700    2.14964100
 N                  5.14537300    2.39016700    1.20552500
 N                  5.51649400    0.00000600    1.15642800
 C                  7.61124100   10.09502300    4.96516700
 C                  7.34058800    8.17258200    3.74227900
 C                  7.09622500    6.09882400    2.52272400
 C                  6.93264400    4.08558300    1.52326800
 C                  6.41975600    2.76928700    1.14596100
 C                  4.73533200    1.13072100    1.09224900
 C                  5.13754800    7.10749400    3.67632200
 C                  4.69413500    6.06525600    4.48493000
 C                  4.29377000    8.15733500    3.32835500
 C                  3.37690800    6.05319500    4.95835200
 C                  2.98822700    8.20866500    3.83145500
 C                  2.55331100    7.14100200    4.63085400
 N                  9.51980800    9.15870400    3.87557800
 N                  9.30003300    7.19114200    2.64414600
 N                  9.10278400    5.12112600    1.58094000
 N                  7.48560300    2.02227200    0.70641400
 N                  9.83552200    2.39249400    0.26459900
 N                  9.47429000   -0.00001000    0.35374700
 N                 12.29067800    1.42336400   -1.38061500
 N                 14.12437800    1.41788700   -2.82887000
 N                 15.85211800    1.39122800   -4.39754700
 C                  8.97022400   10.12340600    4.64501800
 C                  8.74123500    8.19666400    3.42289900
 C                  8.51226500    6.11109300    2.22353400
 C                  8.30504400    4.09020200    1.24820000
 C                  8.63896200    2.77322500    0.70172800
 C                 10.16854300    1.13208300   -0.00405500
 C                 11.37203000    0.70020400   -0.71484900
 C                 16.71195800    0.69833300   -5.17613900
 C                 13.17631300    0.72357800   -2.06334800
 C                 15.01866700    0.71820800   -3.63040200
 C                 10.73325300    7.20978800    2.41459300
 C                 11.26848200    8.19207400    1.58965900
 C                 11.54768000    6.30946200    3.09259100
 C                 12.65634400    8.31825400    1.45670700
 C                 12.93910100    6.38002800    2.95333800
 C                 13.46412800    7.39787900    2.14207200
 C                 14.10020700    2.86635500   -2.91853900
 C                 15.18958300    3.58798300   -2.44444600
 C                 13.03612900    3.49616000   -3.55519200
 C                 15.25406500    4.97271600   -2.63904000
 C                 13.04588500    4.88526600   -3.73031500
 C                 14.16879400    5.59385100   -3.27574100
 N                  5.14534700   -2.39015600    1.20545000
 N                  6.31558400   -5.10327500    2.14937100
 N                  6.52788300   -7.15120500    3.25906300
 N                  6.81224600   -9.10750100    4.50530300
 C                  4.73532300   -1.13070200    1.09221700
 C                  6.41972200   -2.76929600    1.14585600
 C                  6.93258700   -4.08562600    1.52307600
 C                  7.09615900   -6.09895000    2.52236300
 C                  7.34053200   -8.17274700    3.74184800
 C                  7.61119700  -10.09516600    4.96476200
 C                  5.13745600   -7.10777400    3.67578600
 C                  4.69397500   -6.06565300    4.48450500
 C                  4.29373300   -8.15760700    3.32766000
 C                  3.37673300   -6.05370900    4.95789300
 C                  2.98817200   -8.20904700    3.83069900
 C                  2.55318800   -7.14150200    4.63022300
 N                 12.29062200   -1.42336600   -1.38069600
 N                 14.12427700   -1.41789000   -2.82900100
 N                 15.85197800   -1.39120500   -4.39772700
 N                  9.83548300   -2.39251400    0.26448300
 N                  7.48557900   -2.02227200    0.70634500
 N                  9.10271700   -5.12120300    1.58064200
 N                  9.29996200   -7.19129700    2.64370300
 N                  9.51977100   -9.15881600    3.87520700
 C                 11.37201200   -0.70020700   -0.71488200
 C                 13.17627700   -0.72357900   -2.06340000
 C                 15.01860500   -0.71820100   -3.63048400
 C                 16.71188000   -0.69829500   -5.17623800
 C                 10.16852100   -1.13209800   -0.00411000
 C                  8.63892000   -2.77324800    0.70159800
 C                  8.30498600   -4.09024900    1.24798800
 C                  8.51219700   -6.11120900    2.22317200
 C                  8.74118400   -8.19680500    3.42248900
 C                  8.97019000  -10.12352000    4.64464800
 C                 10.73316900   -7.20995200    2.41408700
 C                 11.54763600   -6.30961700    3.09202700
 C                 11.26835600   -8.19224200    1.58912900
 C                 12.93904800   -6.38017700    2.95268900
 C                 12.65621100   -8.31841000    1.45608700
 C                 13.46403100   -7.39802900    2.14139900
 C                 14.09996400   -2.86634800   -2.91882900
 C                 13.03575600   -3.49597900   -3.55544000
 C                 15.18931500   -3.58813600   -2.44492400
 C                 13.04535000   -4.88506600   -3.73070800
 C                 15.25363700   -4.97285600   -2.63967900
 C                 14.16823700   -5.59381300   -3.27633000
 C                  6.99845900  -11.10110900    5.78537700
 N                  6.50081000  -11.91756700    6.44672900
 C                  9.84217000  -11.16425000    5.11073800
 N                 10.54626400  -12.00958500    5.48651200
 C                  9.84219200   11.16416400    5.11107000
 N                 10.54627900   12.00952100    5.48680900
 C                  6.99850100   11.10095500    5.78579300
 N                  6.50085100   11.91740600    6.44715400
 Zn                 7.48908700   -0.00000100    0.72612000
 C                 17.61340100   -1.46097600   -5.99252100
 N                 18.34594600   -2.07786300   -6.65161800
 C                 17.61357400    1.46102900   -5.99230300
 N                 18.34619500    2.07792900   -6.65130400
 H                -11.08939600   -5.55758800   -3.72546400
 H                -10.59644000   -8.87938400   -1.08766400
 H                -14.53796300   -7.48240900   -2.04958000
 H                -16.00164900   -3.05616500    1.96221400
 H                -12.20410800   -2.89742400    3.90928600
 H                -14.20293400   -6.66328900    3.43213600
 H                 -4.67775100   -8.95686500   -2.70531600
 H                 -5.37724500   -5.26172300   -4.73279800
 H                 -1.54450700   -7.16210200   -5.01921300
 H                  1.56329500   -2.99058100   -1.45481400
 H                 -1.56321700   -2.99070600    1.45379800
 H                  0.00000400   -6.70893800   -0.00070400
 H                -10.59642200    8.87967500   -1.08653300
 H                -11.08966600    5.55788100   -3.72428300
 H                -14.53804900    7.48274600   -2.04807200
 H                -12.20386900    2.89681800    3.90924300
 H                -16.00184800    3.05581600    1.96304100
 H                -14.20279900    6.66274300    3.43302900
 H                 -5.37729200    5.26234700   -4.73217300
 H                 -4.67804400    8.95724300   -2.70416000
 H                 -1.54465300    7.16298500   -5.01824800
 H                 -1.56336900    2.99059700    1.45402600
 H                  1.56333400    2.99088500   -1.45438300
 H                 -0.00012100    6.70903500    0.00007800
 H                  5.37726400    5.26163100    4.73257700
 H                  1.54442500    7.16184200    5.01882500
 H                 10.59636400    8.87929800    1.08741600
 H                 14.53793700    7.48263700    2.04957700
 H                 16.00201800    3.05590100   -1.96192100
 H                 12.20457600    2.89721200   -3.90918900
 H                 14.20349600    6.66303000   -3.43205800
 H                  5.37706500   -5.26203000    4.73226800
 H                  4.67769300   -8.95688600    2.70423100
 H                  1.54429000   -7.16243000    5.01815500
 H                 11.08941500   -5.55787700    3.72492900
 H                 10.59621200   -8.87947000    1.08692100
 H                 14.53783600   -7.48277900    2.04883800
 H                 12.20423200   -2.89690900   -3.90929700
 H                 16.00184500   -3.05619400   -1.96240500
 H                 14.20281400   -6.66297900   -3.43276500
 H                  4.67766600    8.95670400    2.70500500
 H                 11.08942100    5.55772800    3.72547500
 C                 13.82517600   -5.35897000    3.69145900
 C                 13.53685800   -5.42221700    5.21064300
 C                 15.32869500   -5.62227700    3.48336100
 C                 13.50351400   -3.93955800    3.16450600
 H                 12.49244500   -5.18753600    5.44172800
 H                 13.75230500   -6.41942600    5.61080700
 H                 14.16369500   -4.69839200    5.74534800
 H                 15.61614000   -5.54835500    2.42862400
 H                 15.91082600   -4.87564200    4.03513100
 H                 15.62598000   -6.61042200    3.85290100
 H                 14.11413900   -3.19264500    3.68694500
 H                 13.71086900   -3.86256800    2.09140000
 H                 12.45070800   -3.67822000    3.31489200
 C                  2.89095400   -4.86267600    5.80601100
 C                  2.92862500   -3.58230900    4.93637800
 C                  1.45227100   -5.05443800    6.32249300
 C                  3.81532700   -4.68042900    7.03355300
 H                  3.93324300   -3.38101800    4.54995800
 H                  2.26040600   -3.67348900    4.07292000
 H                  2.61105100   -2.71290500    5.52574900
 H                  1.35986900   -5.94470200    6.95531500
 H                  1.16149600   -4.18795100    6.92709100
 H                  0.72984200   -5.13833700    5.50280800
 H                  3.47321300   -3.83471300    7.64221200
 H                  3.81287000   -5.57633400    7.66485200
 H                  4.85170300   -4.47809300    6.74347500
 C                  2.89119800    4.86202900    5.80632200
 C                  3.81561600    4.67964900    7.03380900
 C                  1.45252300    5.05366600    6.32287100
 C                  2.92889100    3.58178100    4.93651200
 H                  4.85199300    4.47740800    6.74366800
 H                  3.81313600    5.57546200    7.66523900
 H                  3.47356300    3.83382800    7.64235700
 H                  0.73007100    5.13766400    5.50321700
 H                  1.16179300    4.18707800    6.92734700
 H                  1.36010700    5.94383100    6.95582900
 H                  2.61135900    2.71228700    5.52577400
 H                  2.26065100    3.67305500    4.07308000
 H                  3.93350600    3.38057500    4.55004200
 C                 13.23189700    9.45662700    0.59295800
 C                 12.79241300    9.25133400   -0.87629900
 C                 12.69520000   10.81592700    1.10338600
 C                 14.77057000    9.51094400    0.63961700
 H                 13.15741800    8.29275600   -1.26338200
 H                 11.70152500    9.25728300   -0.97769200
 H                 13.19079200   10.05257900   -1.51065700
 H                 12.98005400   10.98500400    2.14758700
 H                 13.10623000   11.63469100    0.50062000
 H                 11.60378100   10.87722800    1.04334400
 H                 15.12711800   10.34309600    0.02237300
 H                 15.14023600    9.67399400    1.65836400
 H                 15.22901200    8.59498100    0.25123600
 C                 11.84481000   -5.56915800   -4.41233900
 C                 10.58080500   -5.34520000   -3.54742400
 C                 11.62383800   -4.95651300   -5.81613800
 C                 12.04944100   -7.08637400   -4.58425500
 H                 10.70538300   -5.78090500   -2.54986800
 H                 10.36120100   -4.28050700   -3.41527700
 H                  9.70849700   -5.81326500   -4.02043200
 H                 12.50632900   -5.09779500   -6.45036700
 H                 10.77020400   -5.43732600   -6.30902000
 H                 11.41469100   -3.88260500   -5.76841400
 H                 11.17344900   -7.52017900   -5.07950300
 H                 12.92440000   -7.31367700   -5.20405600
 H                 12.16787100   -7.59603800   -3.62148400
 C                 11.84549100    5.56954900   -4.41201100
 C                 11.62457300    4.95703300   -5.81587400
 C                 10.58138000    5.34568000   -3.54722800
 C                 12.05032300    7.08675200   -4.58380300
 H                 12.50714000    5.09825500   -6.45001300
 H                 11.41528800    3.88314700   -5.76825300
 H                 10.77104300    5.43798800   -6.30879500
 H                 10.70592200    5.78129100   -2.54962600
 H                  9.70917000    5.81389000   -4.02027500
 H                 10.36163600    4.28100300   -3.41518500
 H                 11.17443300    7.52070200   -5.07910300
 H                 12.16872700    7.59633600   -3.62098600
 H                 12.92537100    7.31398700   -5.20350500
 C                  1.98098100    5.67910300   -1.66764500
 C                  3.39326900    5.21434800   -1.23449500
 C                  1.76083700    5.33629300   -3.16015100
 C                  1.91787300    7.20929600   -1.51137800
 H                  3.58413000    5.45385800   -0.18270300
 H                  3.52345400    4.13359500   -1.34821400
 H                  4.15741900    5.71201800   -1.84500100
 H                  0.76739700    5.66028200   -3.49262700
 H                  2.51044200    5.83971800   -3.78294300
 H                  1.84112300    4.26034800   -3.34874100
 H                  2.68772500    7.67490400   -2.13730600
 H                  0.95000100    7.61635100   -1.82474500
 H                  2.10165900    7.52006200   -0.47713700
 C                  1.98098000   -5.67877000   -1.66842500
 C                  1.76067100   -5.33586300   -3.16088400
 C                  3.39328700   -5.21396800   -1.23538000
 C                  1.91797600   -7.20897700   -1.51226100
 H                  0.76721800   -5.65988500   -3.49328600
 H                  1.84087400   -4.25989800   -3.34940000
 H                  2.51024500   -5.83919600   -3.78378800
 H                  3.58425900   -5.45353300   -0.18362000
 H                  4.15740300   -5.71156100   -1.84599000
 H                  3.52340400   -4.13320100   -1.34904800
 H                  2.68778500   -7.67449900   -2.13830600
 H                  2.10189200   -7.51980700   -0.47806200
 H                  0.95009200   -7.61606500   -1.82555100
 C                 -2.89120100    4.86312700   -5.80599700
 C                 -3.81574400    4.68062500   -7.03337100
 C                 -1.45263600    5.05507700   -6.32273700
 C                 -2.92852500    3.58282800   -4.93624300
 H                 -4.85203800    4.47813100   -6.74311200
 H                 -3.81354600    5.57648000   -7.66474300
 H                 -3.47358500    3.83492100   -7.64202000
 H                 -0.73008000    5.13914300   -5.50318200
 H                 -1.16182700    4.18859200   -6.92732200
 H                 -1.36047900    5.94531200   -6.95563500
 H                 -2.61093900    2.71341900   -5.52560000
 H                 -2.26015400    3.67417700   -4.07292000
 H                 -3.93303900    3.38143300   -4.54961000
 C                 -2.10953200   -9.43723600   -3.52624700
 C                 -2.81255800  -10.70977900   -4.05898300
 C                 -0.72277300   -9.34900100   -4.19122000
 C                 -1.90859400   -9.56613700   -1.99855100
 H                 -3.79045800  -10.86480800   -3.59199000
 H                 -2.97040600  -10.64937400   -5.14126900
 H                 -2.20014700  -11.59588700   -3.85252800
 H                 -0.15247000   -8.48037600   -3.84320900
 H                 -0.14081100  -10.24437500   -3.94584300
 H                 -0.79793400   -9.29465200   -5.28314400
 H                 -1.29624800  -10.44588500   -1.76648100
 H                 -1.40159500   -8.68246200   -1.59428400
 H                 -2.86100800   -9.67640700   -1.46879000
 C                  2.10940300   -9.43735500    3.52491500
 C                  2.81236200  -10.70995100    4.05762800
 C                  0.72256400   -9.34916200    4.18972300
 C                  1.90864500   -9.56612500    1.99718900
 H                  3.79031600  -10.86493200    3.59073400
 H                  2.97008200  -10.64963200    5.13993700
 H                  2.19997300  -11.59604000    3.85102800
 H                  0.15233500   -8.48047300    3.84174900
 H                  0.14060600  -10.24448800    3.94416100
 H                  0.79758300   -9.29495500    5.28166500
 H                  2.86111300   -9.67637400    1.46752000
 H                  1.29630600  -10.44584000    1.76497600
 H                  1.40171300   -8.68240600    1.59293200
 C                  2.10940300    9.43698100    3.52585600
 C                  0.72262200    9.34869300    4.19077200
 C                  2.81236300   10.70955100    4.05861700
 C                  1.90851800    9.56587200    1.99815300
 H                  0.15238200    8.48002500    3.84276500
 H                  0.79773700    9.29438500    5.28270200
 H                  0.14062100   10.24402800    3.94534200
 H                  3.79028300   10.86460100    3.59167300
 H                  2.19993600   11.59564000    3.85212500
 H                  2.97015600   10.64915700    5.14091200
 H                  1.29613600   10.44558800    1.76605900
 H                  2.86094500    9.67619000    1.46842400
 H                  1.40158200    8.68217000    1.59386700
 C                 13.23171800   -9.45678200    0.59230800
 C                 12.79215000   -9.25149900   -0.87692300
 C                 14.77039400   -9.51109200    0.63887900
 C                 12.69505300  -10.81608000    1.10277800
 H                 11.70125600   -9.25745800   -0.97825700
 H                 13.15712400   -8.29291900   -1.26402900
 H                 13.19050200  -10.05274100   -1.51130200
 H                 15.14012300   -9.67415700    1.65760100
 H                 15.12691000  -10.34323300    0.02160100
 H                 15.22880900   -8.59512100    0.25048400
 H                 13.10604000  -11.63484700    0.49998800
 H                 12.97997700  -10.98515400    2.14696100
 H                 11.60362900  -10.87737700    1.04280800
 C                 13.82519100    5.35885000    3.69219100
 C                 13.53683400    5.42220300    5.21136500
 C                 13.50351700    3.93940800    3.16532600
 C                 15.32872000    5.62211200    3.48411300
 H                 13.75228300    6.41943600    5.61146700
 H                 12.49241000    5.18755200    5.44243500
 H                 14.16364700    4.69840600    5.74613400
 H                 13.71089600    3.86234400    2.09223100
 H                 14.11411600    3.19252000    3.68783000
 H                 12.45070200    3.67809800    3.31570700
 H                 15.91082300    4.87550900    4.03595700
 H                 15.61619100    5.54810400    2.42938900
 H                 15.62601400    6.61028000    3.85358400
 C                -13.23190700    9.45692300   -0.59179300
 C                -12.79223500    9.25178900    0.87742700
 C                -12.69532500   10.81619400   -1.10242400
 C                -14.77058800    9.51117300   -0.63826300
 H                -13.15715200    8.29323100    1.26464400
 H                -11.70133500    9.25779500    0.97869200
 H                -13.19057400   10.05307300    1.51176000
 H                -12.98033300   10.98516500   -2.14660000
 H                -13.10629300   11.63500000   -0.49967500
 H                -11.60389800   10.87752900   -1.04254400
 H                -15.12709300   10.34334500   -0.02102000
 H                -15.14039400    9.67415200   -1.65697100
 H                -15.22894100    8.59521100   -0.24977200
 C                -13.82514700   -5.35852000   -3.69202600
 C                -13.50339800   -3.93916000   -3.16498300
 C                -13.53682200   -5.42169100   -5.21121200
 C                -15.32868400   -5.62174000   -3.48395500
 H                -13.71075100   -3.86222600   -2.09187300
 H                -12.45057400   -3.67787900   -3.31535000
 H                -14.11397400   -3.19217600   -3.68737700
 H                -13.75233500   -6.41886000   -5.61144100
 H                -14.16360300   -4.69778900   -5.74587700
 H                -12.49238900   -5.18706900   -5.44227200
 H                -15.91076300   -4.87502100   -4.03566700
 H                -15.62603600   -6.60983500   -3.85357500
 H                -15.61612800   -5.54788400   -2.42921200
 C                -16.50294300   -5.74354900    2.17191600
 C                -16.62197000   -5.63298900    0.63333200
 C                -16.45094900   -7.23539900    2.55193100
 C                -17.76391700   -5.13166800    2.82908000
 H                -16.71755000   -4.59118400    0.30799300
 H                -15.73787700   -6.05547800    0.14163300
 H                -17.50610700   -6.17591300    0.27746600
 H                -16.38529800   -7.37586600    3.63684900
 H                -17.36515800   -7.73317300    2.20983100
 H                -15.60341400   -7.75146100    2.08773700
 H                -18.65953100   -5.67747200    2.50873800
 H                -17.70447800   -5.18542900    3.92161200
 H                -17.90217900   -4.08047600    2.55634900
 C                -11.84490600   -5.56977300    4.41199000
 C                -11.62394300   -4.95730400    5.81586700
 C                -12.04967000   -7.08699000    4.58372600
 C                -10.58084500   -5.34582100    3.54715500
 H                -11.41470100   -3.88340900    5.76827400
 H                -12.50647500   -5.09858100    6.45004100
 H                -10.77037300   -5.43824700    6.30873300
 H                -12.16810000   -7.59653600    3.62089200
 H                -11.17373700   -7.52092400    5.07896300
 H                -12.92467500   -7.31429100    5.20346300
 H                 -9.70859600   -5.81401300    4.02014800
 H                -10.70541500   -5.78140000    2.54954400
 H                -10.36114500   -4.28113100    3.41514100
 C                -16.50311300    5.74316000    2.17325000
 C                -17.76392400    5.13116800    2.83062100
 C                -16.45104600    7.23495400    2.55347200
 C                -16.62250400    5.63282300    0.63467700
 H                -17.90224000    4.08001400    2.55777300
 H                -17.70423100    5.18477300    3.92314700
 H                -18.65962000    5.67700700    2.51056600
 H                -15.60362300    7.75109300    2.08916100
 H                -17.36533800    7.73276900    2.21165300
 H                -16.38514800    7.37526000    3.63839600
 H                -17.50672600    6.17579600    0.27909700
 H                -15.73852800    6.05538700    0.14283400
 H                -16.71815600    4.59106500    0.30921000
 C                -11.84452800    5.56910400    4.41215500
 C                -12.04926500    7.08629500    4.58415300
 C                -11.62317000    4.95644900    5.81588800
 C                -10.58070100    5.34528500    3.54694000
 H                -12.16797700    7.59596800    3.62142200
 H                -12.92409800    7.31349900    5.20416900
 H                -11.17319700    7.52017600    5.07919900
 H                -11.41392700    3.88256200    5.76809500
 H                -10.76946900    5.43733500    6.30858200
 H                -12.50552800    5.09763100    6.45032600
 H                 -9.70832600    5.81341700    4.01975900
 H                -10.36103300    4.28061600    3.41471000
 H                -10.70555000    5.78100500    2.54942500
 C                 -2.10983100    9.43786900   -3.52496300
 C                 -0.72307300    9.34983200   -4.18996100
 C                 -2.81294300   10.71045800   -4.05748000
 C                 -1.90888500    9.56652800   -1.99724800
 H                 -0.15272100    8.48117400   -3.84211500
 H                 -0.79823800    9.29568100   -5.28189600
 H                 -0.14115700   10.24519300   -3.94442400
 H                 -3.79084500   10.86534800   -3.59044600
 H                 -2.20058500   11.59657100   -3.85088900
 H                 -2.97080300   10.65021900   -5.13977300
 H                 -1.29659700   10.44628000   -1.76503900
 H                 -2.86130000    9.67664400   -1.46745500
 H                 -1.40182000    8.68282100   -1.59313300
 C                 -2.89119500   -4.86220400   -5.80659800
 C                 -1.45260800   -5.05396800   -6.32334400
 C                 -3.81573800   -4.67961100   -7.03395900
 C                 -2.92863200   -3.58202400   -4.93667300
 H                 -0.73005600   -5.13807700   -5.50379100
 H                 -1.36036700   -5.94411500   -6.95635400
 H                 -1.16186600   -4.18738200   -6.92781600
 H                 -4.85205100   -4.47723600   -6.74368500
 H                 -3.47363700   -3.83380000   -7.64249300
 H                 -3.81346300   -5.57538200   -7.66544900
 H                 -2.61111300   -2.71251000   -5.52591200
 H                 -3.93316700   -3.38076200   -4.55002200
 H                 -2.26026200   -3.67343300   -4.07335600
 C                 -1.98112900    5.67876100    1.66770600
 C                 -1.76077300    5.33589300    3.16017000
 C                 -1.91823800    7.20897000    1.51150600
 C                 -3.39340900    5.21385500    1.23468900
 H                 -1.84090500    4.25992500    3.34869600
 H                 -0.76733300    5.65998000    3.49255100
 H                 -2.51036800    5.83918700    3.78308000
 H                 -2.10213000    7.51975400    0.47728900
 H                 -2.68811400    7.67444500    2.13750400
 H                 -0.95040500    7.61614900    1.82483400
 H                 -4.15755000    5.71142500    1.84528700
 H                 -3.58440300    5.45336700    0.18292300
 H                 -3.52346300    4.13308600    1.34840400
 C                 -1.98087800   -5.67890600    1.66722200
 C                 -1.91809900   -7.20908300    1.51067800
 C                 -1.76021600   -5.33636200    3.15971800
 C                 -3.39321500   -5.21384000    1.23457500
 H                 -0.95024400   -7.61639100    1.82377100
 H                 -2.68790600   -7.67465300    2.13669000
 H                 -2.10216200   -7.51962500    0.47641800
 H                 -1.84024500   -4.26042500    3.34847200
 H                 -2.50972000   -5.83974100    3.78266900
 H                 -0.76672800   -5.66057500    3.49183200
 H                 -4.15726200   -5.71154800    1.84517700
 H                 -3.52322700   -4.13309900    1.34860900
 H                 -3.58440500   -5.45306500    0.18277800
 C                -13.82540800    5.35881800   -3.69055300
 C                -15.32892400    5.62210600   -3.48241200
 C                -13.53718500    5.42186200   -5.20976400
 C                -13.50365900    3.93949200   -3.16342000
 H                -15.61632500    5.54826600   -2.42765800
 H                -15.62624300    6.61021500   -3.85202300
 H                -15.91106200    4.87540900   -4.03409100
 H                -12.49278300    5.18716800   -5.44088900
 H                -14.16403900    4.69794600   -5.74432400
 H                -13.75268200    6.41900900   -5.61005600
 H                -14.11426700    3.19247500   -3.68573100
 H                -12.45084300    3.67819200   -3.31380500
 H                -13.71096900    3.86264000   -2.09029500
 C                -13.23198800   -9.45660600   -0.59318500
 C                -12.79242500   -9.25150300    0.87607100
 C                -14.77066700   -9.51080700   -0.63977900
 C                -12.69540800  -10.81588800   -1.10379000
 H                -11.70153300   -9.25754500    0.97742100
 H                -13.15734000   -8.29293700    1.26326900
 H                -13.19084000  -10.05278100    1.51036400
 H                -15.14039600   -9.67376100   -1.65851900
 H                -15.12724900  -10.34297700   -0.02257700
 H                -15.22902400   -8.59483700   -0.25131300
 H                -13.10645200  -11.63469000   -0.50108600
 H                -12.98033500  -10.98483700   -2.14799200
 H                -11.60398800  -10.87725900   -1.04382100
 C                 16.50295500   -5.74357400   -2.17254200
 C                 16.45082700   -7.23537200   -2.55274200
 C                 17.76392600   -5.13169900   -2.82971500
 C                 16.62209700   -5.63321800   -0.63395200
 H                 15.60328500   -7.75143100   -2.08855900
 H                 16.38509600   -7.37569700   -3.63767400
 H                 17.36502300   -7.73325600   -2.21076400
 H                 17.90228100   -4.08055000   -2.55686400
 H                 18.65952500   -5.67760400   -2.50950200
 H                 17.70441000   -5.18532000   -3.92225000
 H                 17.50621700   -6.17625600   -0.27821600
 H                 16.71778100   -4.59146200   -0.30848800
 H                 15.73800500   -6.05570100   -0.14224700
 C                 16.50338500    5.74326900   -2.17163400
 C                 16.45149300    7.23509400   -2.55176500
 C                 16.62220000    5.63280400   -0.63302100
 C                 17.76442900    5.13131000   -2.82857700
 H                 16.38592800    7.37547400   -3.63669900
 H                 15.60395200    7.75123600   -2.08767400
 H                 17.36570200    7.73284900   -2.20963400
 H                 16.71771500    4.59101300   -0.30761900
 H                 17.50630100    6.17573000   -0.27706500
 H                 15.73804700    6.05533300   -0.14146900
 H                 18.66000900    5.67712300   -2.50815500
 H                 17.90264700    4.08013800   -2.55574500
 H                 17.70514300    5.18498500   -3.92112200
500
S1
 Zn               14.5935213607        7.3333819317        1.7461220002
 Zn               14.5954734018       21.8523906944       13.9172542780
 Zn                0.0769544465       21.8509530002        9.8102812294
 Zn                0.0754986092        7.3362634265        5.8520099137
 N                 2.4639540852        4.9489651571        5.8541498337
 N                 0.0731690267        5.3446358950        5.8509670077
 N                 2.4705306530       24.2330794816        9.8101246686
 N                 0.0788410014       23.8393193127        9.8165141171
 N                26.7243748250       24.2352663596        9.8098850633
 N                26.7201868256        4.9519557316        5.8532813606
 N                12.2088510577       24.2335012373       13.9075541019
 N                12.2045634326        4.9525718965        1.7766599030
 N                16.9801966944        4.9507791369        1.7726033159
 N                16.9839445061       24.2321792721       13.9008661202
 N                16.9810826552       19.4667277969       13.9048837339
 N                16.9808749833        9.7182569539        1.7726192402
 N                26.7240251533        9.7237793349        5.8549605685
 N                26.7212226506       19.4653257595        9.8068372126
 N                12.2078839259        9.7206924432        1.7702953518
 N                12.2078529424       19.4679753610       13.9018758760
 N                 2.4668181430       19.4629512602        9.8078238160
 N                 2.4675711479        9.7202302995        5.8571514526
 N                 2.0848247528       21.8480135346        9.8124607108
 N                14.5966321029       23.8370644117       13.9200196285
 N                12.5889799474        7.3370228113        1.7722291556
 N                12.5925085468       21.8509973071       13.8949685991
 N                14.5921675334        5.3487700521        1.7508423943
 N                 2.0796682066        7.3346228026        5.8497595324
 N                27.1091762766        7.3381893965        5.8479273056
 N                16.5985217751       21.8493448338       13.8956825678
 N                16.5986981425        7.3342732099        1.7699364886
 N                27.1066796382       21.8502161403        9.8114989899
 N                14.5944967979       19.8677531355       13.9349757183
 N                 0.0771732643        9.3250418855        5.8651144961
 N                14.5944566551        9.3182067998        1.7337319534
 N                 0.0753794734       19.8645328132        9.7972350607
 N                 5.2211635447        8.7590656085        4.8072601115
 N                 7.3549981549        8.7384014429        3.8714408065
 N                 9.4758111280        8.7628828881        2.9028059516
 N                 9.4759475623        5.9106342014        2.8951206633
 N                 7.3583018874        5.9250852866        3.8757540560
 N                 5.2230656103        5.9062432017        4.8150140659
 N                19.7078550643        8.7584404592        2.9076883502
 N                21.8260358915        8.7375519616        3.8802988296
 N                23.9635809998        8.7629827864        4.8101125100
 N                23.9643150274        5.9110351453        4.8176065553
 N                21.8285303616        5.9245711470        3.8795311207
 N                19.7122377724        5.9060935871        2.8942596549
 N                19.7097326721       20.4236894337       12.7645967440
 N                21.8265999656       20.4465981797       11.7864731684
 N                23.9627560404       20.4255286011       10.8522667502
 N                23.9610456141       23.2787834590       10.8445810934
 N                21.8246639571       23.2598290154       11.7837047622
 N                19.7116366248       23.2762028663       12.7737200861
 N                 9.4752074078       23.2803301814       12.7815142236
 N                 7.3621304529       23.2605563586       11.7892212173
 N                 5.2280164712       23.2758322476       10.8462830699
 N                 5.2285833155       20.4225198362       10.8544046542
 N                 7.3654245875       20.4479745676       11.7864321661
 N                 9.4817478798       20.4276966446       12.7643232477
 N                13.1668938819       16.7347156569       14.9839216527
 N                16.0221273108       16.7374167763       14.9893179670
 N                13.1962053601       14.5979807193       -0.2127156751
 N                15.9934458824       14.5995396198       -0.2089121183
 N                13.1682860162       12.4588211467        0.7053194039
 N                16.0237138005       12.4603973429        0.7099156477
 N                27.6843055647       16.7247346103        8.7707731619
 N                27.7050109527       14.5947306424        7.8310609027
 N                27.6880605257       12.4647915617        6.8915095887
 N                 1.5033059212       16.7233841234        8.7742666614
 N                 1.4848212105       14.5934945067        7.8372423238
 N                 1.5066663813       12.4636697153        6.8977368741
 N                 1.5009246389        2.2058100032        6.8917134008
 N                 1.4837806921        0.0737976327        7.8313333130
 N                27.6822267000        2.2053629115        6.8925288227
 N                27.7037147343        0.0737625538        7.8368055339
 N                27.6878503619       26.9763892797        8.7733693858
 N                 1.5069866794       26.9784346302        8.7712627211
 N                13.1655179686        2.2067892786        0.7175105561
 N                13.1952594305        0.0677237933       -0.2085004518
 N                15.9936147728        0.0707785763       -0.2118043502
 N                16.0197164668        2.2099462973        0.7127348317
 N                13.1698932627       26.9649937567       14.9881170830
 N                16.0242071491       26.9704755610       14.9785260732
 C                 0.7950601444        1.1784608686        7.3354274264
 C                 0.7728519937        3.2549379108        6.4729479824
 C                 1.2033895516        4.5795025856        6.0468978435
 C                 0.7991136364       28.0049512742        8.3278120538
 C                 0.7800329668       25.9284841761        9.1918439410
 C                 1.2097776627       24.6043504337        9.6196536275
 C                28.3927674781       28.0047910266        8.3295711132
 C                28.4164238562       25.9278341053        9.1917496062
 C                27.9856348594       24.6041260232        9.6190200216
 C                28.3890752918        1.1779573276        7.3368622714
 C                28.4095863223        3.2548739645        6.4728137387
 C                27.9799211446        4.5797310714        6.0463129666
 C                 2.8499535389       22.9764377658       10.0048545656
 C                 2.8440554800        6.2052133617        5.6572880082
 C                26.3432897394        6.2096634221        5.6567228999
 C                26.3419622467       22.9788976882       10.0041091127
 C                 6.2575554155       22.5724934620       11.2903980159
 C                13.8770894047       27.9947321039       15.4236675002
 C                 8.4559919559        6.6131581054        3.3611263687
 C                 8.4586285206       22.5760125218       12.3091643594
 C                13.8740686339        1.1770611842        0.2827833265
 C                 6.2521487488        6.6105470784        4.3715354163
 C                22.9338702917        6.6132264867        4.3752598945
 C                15.3122697988        1.1783162874        0.2810685500
 C                20.7291028888       22.5726000436       12.3034643927
 C                20.7303027865        6.6095487293        3.3630442821
 C                15.3149394471       27.9967439727       15.4204989876
 C                22.9317000391       22.5744422329       11.2879616141
 C                15.3132228966       15.7086684808       15.4239056693
 C                20.7280821791        8.0514590050        3.3674790376
 C                28.3937590935       13.4916691415        7.3361052045
 C                22.9326797600       21.1322908960       11.2908254384
 C                15.3147044179       13.4907005888        0.2786550418
 C                22.9335555370        8.0547652471        4.3730412777
 C                28.3910803321       15.6974401673        8.3286847342
 C                20.7286589674       21.1306298575       12.3012125579
 C                13.8764402992       13.4901593955        0.2769401912
 C                 8.4618198661       21.1342573682       12.3028638605
 C                 0.7968133641       15.6972088605        8.3312148070
 C                 6.2505945363        8.0522697749        4.3681438930
 C                13.8758961313       15.7077107919       15.4220271277
 C                 6.2578113082       21.1306428513       11.2922894560
 C                 0.7994423330       13.4903714112        7.3393143233
 C                 8.4556702523        8.0548953749        3.3621869045
 C                 4.1775507682       22.5478602390       10.4300437969
 C                13.8973943657       25.9174451466       14.5665415317
 C                10.5159595226        6.6377451308        2.4516198506
 C                10.5178535735       22.5534901189       13.2213672246
 C                13.8915480921        3.2596929318        1.1300659101
 C                 4.1717994544        6.6329135500        5.2313400233
 C                25.0159335895        6.6384095878        5.2324119595
 C                15.2923479293        3.2609115753        1.1272614273
 C                18.6714161577       22.5494789886       13.2167018637
 C                18.6713864972        6.6329423247        2.4510913290
 C                15.2979596539       25.9197053139       14.5610220347
 C                25.0132458389       22.5515279712       10.4287428649
 C                15.2944180927       17.7861683599       14.5737454745
 C                18.6690342593        8.0344987649        2.4568893523
 C                28.4155626285       11.4150342871        6.4780336164
 C                25.0142468627       21.1504665178       10.4325973712
 C                15.2960552192       11.4080147295        1.1188799863
 C                25.0165008313        8.0394318751        5.2284886878
 C                28.4119684392       17.7742030222        9.1858350420
 C                18.6694619897       21.1476208509       13.2117596993
 C                13.8954076340       11.4072505039        1.1161312122
 C                10.5206584991       21.1518068542       13.2134068197
 C                 0.7753071366       17.7736123157        9.1870974906
 C                 4.1707952065        8.0340691872        5.2278404164
 C                13.8937577792       17.7850720828       14.5705499285
 C                 4.1763745226       21.1466875563       10.4344679896
 C                 0.7791458411       11.4145643736        6.4802943792
 C                10.5172891356        8.0389935177        2.4560203568
 C                13.4667176762       24.5991242205       14.1235837942
 C                11.8300193616        6.2088346580        1.9866845684
 C                11.8331346097       22.9799924556       13.6865526195
 C                13.4613632484        4.5835461522        1.5606052585
 C                15.7226611889        4.5841009651        1.5575742689
 C                17.3575638183       22.9774750594       13.6833500903
 C                17.3569794486        6.2055937870        1.9847205031
 C                15.7272351846       24.6001966207       14.1176628407
 C                15.7243241672       19.1039040715       14.1314193981
 C                17.3556796129        8.4631279457        1.9877018267
 C                27.9845095099       10.0914704068        6.0550071578
 C                26.3416502744       20.7218941252       10.0057779340
 C                15.7248515825       10.0844726245        1.5480918554
 C                26.3443969702        8.4674459101        5.6547153626
 C                27.9818996564       19.0983280096        9.6074289393
 C                17.3555411475       20.7201845833       13.6805233785
 C                13.4646955028       10.0846622989        1.5456314751
 C                11.8345652678       20.7224627429       13.6802449413
 C                 1.2061890461       19.0977796555        9.6084445148
 C                 2.8446747935        8.4632251536        5.6559309579
 C                13.4642405909       19.1034193370       14.1281697436
 C                 2.8487433690       20.7187960297       10.0071858581
 C                 1.2084170990       10.0899928685        6.0568649660
 C                11.8319333160        8.4665412928        1.9884123877
 C                26.2549056199       14.5961240092        7.8134458931
 C                25.5934871836       15.2072994635        6.7439196180
 C                25.5614964164       13.9744526956        8.8597557691
 C                24.1975042411       15.1942566708        6.7495123534
 C                24.1685660337       13.9512711972        8.7963775415
 C                23.4678376502       14.5591321944        7.7526476933
 C                21.8278341618       18.9985010680       11.7825615153
 C                21.2264106561       18.3290062847       10.7144064922
 C                22.4404080330       18.3189667409       12.8419281444
 C                21.2387671044       16.9335990776       10.7343549119
 C                22.4605711544       16.9257347749       12.7960372368
 C                21.8620720286       16.2143873435       11.7531233806
 C                21.8257740394       24.7089779269       11.8090317144
 C                21.2111058321       25.4078513807       10.7642036481
 C                22.4307293798       25.3612813927       12.8862026796
 C                21.1837251770       26.8000146957       10.8389790960
 C                22.4107914360       26.7569735904       12.8956748275
 C                21.7784337452       27.4944805746       11.8953550529
 C                21.8296201523       10.1846902651        3.8588650105
 C                22.4370298016       10.8367560710        2.7831457983
 C                21.2181599979       10.8790067517        4.9083061443
 C                22.4250691690       12.2318619787        2.7812515521
 C                21.1982106994       12.2713882221        4.8402676212
 C                21.7984853896       12.9660047954        3.7872693724
 C                17.4363546900       14.6043512785       -0.2151340665
 C                18.0981798624       14.0435990678       14.8083408510
 C                18.1154286400       15.1776125114        0.8656735949
 C                19.4924716121       14.0622790374       14.8224955125
 C                19.5079474761       15.2045645277        0.8118355293
 C                20.2151718100       14.6507853021       -0.2576469035
 C                11.7528443661       14.6028874968       -0.1979272021
 C                11.0668000706       14.0309561635       14.8424426279
 C                11.0965940199       15.1639128316        0.9000075067
 C                 9.6755114468       14.0116365871       14.9003776682
 C                 9.7014972035       15.1520823598        0.8897982774
 C                 8.9731024234       14.5720223729       -0.1472584666
 C                 7.3622177631       19.0004543128       11.8105793165
 C                 7.9682688008       18.3030516335       10.7597788457
 C                 6.7585331837       18.3499366411       12.8894262360
 C                 7.9895843351       16.9106952127       10.8310285002
 C                 6.7716587153       16.9546013730       12.8945869065
 C                 7.3957782040       16.2178890496       11.8889043746
 C                 7.3591896943       24.7096405241       11.7841258945
 C                 7.9621835034       25.3811643330       10.7181117040
 C                 6.7406886588       25.3896711531       12.8395780994
 C                 7.9472619230       26.7768251570       10.7380237171
 C                 6.7181651005       26.7828945755       12.7939503129
 C                 7.3187194391       27.4965557952       11.7536219081
 C                 2.9344046839       14.5930632638        7.8531008871
 C                 3.6265974492       15.2143866724        6.8056932629
 C                 3.5961915240       13.9804805945        8.9214308645
 C                 5.0191302915       15.2379245833        6.8687286379
 C                 4.9915344031       13.9936266308        8.9152838995
 C                 5.7206872690       14.6301990055        7.9123410142
 C                 7.3506163330       10.1859658914        3.8783295092
 C                 6.7327922898       10.8663367923        2.8227488200
 C                 7.9504621823       10.8527687324        4.9487689577
 C                 6.7077409873       12.2591763993        2.8735805390
 C                 7.9329998084       12.2481355007        4.9337612980
 C                 7.3047199334       12.9683348975        3.9187569098
 C                 7.3548418997        4.4761073094        3.8557645401
 C                 6.7463489732        3.8198565832        2.7829431672
 C                 7.9679168495        3.7808023653        4.9038294801
 C                 6.7632271842        2.4243895571        2.7798483499
 C                 7.9922100581        2.3882851039        4.8354371274
 C                 7.3941630363        1.6901717237        3.7833881365
 C                11.7510968888        0.0594262905       -0.2118167565
 C                11.0736499125       28.5415497759        0.8799065092
 C                11.0854467470        0.5932580066       14.8007005903
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