171 

 C                  3.47940700   -5.81316500   -2.91487200
 O                  4.04899100   -4.87336500   -2.37692200
 N                  2.13320600   -5.87238400   -2.99264100
 H                  1.70137900   -6.69144200   -3.37837000
 C                  1.27644800   -4.79540900   -2.53383700
 H                  1.85313600   -3.88064200   -2.65735300
 C                  0.02015100   -4.73935100   -3.39920400
 H                 -0.59020500   -5.61705300   -3.18830400
 H                  0.33363000   -4.79525400   -4.43837000
 C                 -0.79441600   -3.51022400   -3.22826800
 N                 -1.62195800   -3.31388100   -2.15929000
 H                 -1.66260100   -3.96120900   -1.38733000
 C                 -2.19240000   -2.10266600   -2.28143200
 H                 -2.87574300   -1.68277900   -1.56693400
 N                 -1.79113700   -1.50917700   -3.37916900
 C                 -0.92217700   -2.37841000   -3.98024200
 H                 -0.44892400   -2.14894000   -4.91666500
 C                  0.95889800   -4.94377400   -1.03310900
 O                 -0.18351100   -5.09323800   -0.61845700
 N                  2.04667200   -4.90406200   -0.26559700
 H                  2.92628400   -4.76549400   -0.73974000
 C                  3.95572200    7.77596800    0.67948900
 O                  4.04045100    7.31016500    1.80176700
 N                  3.18133300    7.18995400   -0.26737100
 H                  3.18676600    7.53373600   -1.20872100
 C                  1.19867300    5.85059900   -0.83610600
 H                  1.49659400    5.62581100   -1.86109800
 H                  0.70539600    6.81982900   -0.85520100
 C                  0.22550100    4.79859300   -0.31236000
 H                 -0.79053400    5.04006600   -0.61412400
 H                  0.23047600    4.82080500    0.77764500
 C                  0.48722000    3.36883300   -0.76022200
 H                 -0.10682400    2.70902500   -0.13635500
 H                  1.52590000    3.07685400   -0.65006700
 N                  0.03312800    3.12879300   -2.11770200
 H                 -0.98010500    2.99584100   -2.17342000
 C                  0.77863600    2.92868600   -3.18331500
 N                  2.09142000    3.15031700   -3.16627800
 H                  2.56935300    3.60851000   -2.39086700
 H                  2.64390800    2.88541800   -3.95648500
 N                  0.19731800    2.48405300   -4.29740800
 H                 -0.73013000    2.05594800   -4.24623000
 H                  0.71583000    2.44067500   -5.15046800
 C                  3.36698000    4.79807000   -0.04274000
 O                  3.58733600    4.20613000   -1.09582900
 N                  3.96793000    4.46214500    1.09554900
 H                  3.88549300    5.09893600    1.87105900
 C                  4.84401200   -0.30713700    0.32297400
 H                  4.31938800   -0.68805200    1.19795900
 C                  3.96067600   -0.48785000   -0.92887500
 H                  4.59165600   -0.61506800   -1.80643600
 H                  3.44829200    0.45874600   -1.06449100
 C                  2.94646200   -1.62146000   -0.81455500
 H                  2.72085000   -1.80797100    0.23671900
 H                  3.37431800   -2.54481200   -1.19527800
 C                  1.63195800   -1.36297700   -1.54309900
 H                  0.93591600   -2.16293700   -1.29069300
 H                  1.76576600   -1.38635900   -2.62358200
 C                  0.97351000   -0.04722100   -1.19106900
 H                 -0.03586200    0.00820400   -1.58607100
 H                  1.53082700    0.79980300   -1.57414900
 N                  0.87622600    0.12628700    0.28285000
 H                 -0.01549000    0.60568200    0.47425500
 H                  0.82936200   -0.79206100    0.75289000
 H                  1.68309900    0.64301000    0.66014100
 C                  6.20712200   -0.97889200    0.10913500
 O                  7.14916700   -0.27050300   -0.21990600
 N                  6.30558300   -2.31455400    0.19358700
 C                 -6.65369600   -0.95960800    2.17161800
 O                 -6.45899300   -0.29837700    1.17081100
 N                 -5.72953100   -1.06208500    3.16535300
 H                 -5.85488300   -1.76667600    3.86996000
 C                 -4.40278000   -0.53412600    3.00765900
 H                 -4.43563300    0.13228100    2.15165800
 C                 -3.94472900    0.23827100    4.25145600
 H                 -4.00027800   -0.41238800    5.12064800
 H                 -4.62754100    1.07044900    4.41130200
 C                 -2.54391800    0.68898000    4.08034000
 C                 -0.82123900    1.59166600    3.07040800
 H                 -0.26333900    2.19037500    2.37455500
 N                 -0.30823400    0.82742100    4.00388300
 H                  1.26381400    0.15999300    3.61837900
 C                 -1.38001400    0.26092200    4.64211100
 H                 -1.26584500   -0.42255800    5.46211500
 C                 -3.42853300   -1.67006500    2.72848400
 O                 -3.44053300   -2.69395000    3.39957600
 N                 -2.57840400   -1.46956900    1.71617100
 H                 -2.52611200   -0.57763100    1.23326000
 C                 -0.40213800   -2.64223500    2.03739400
 O                  0.66854700   -2.37205400    1.49545300
 C                  0.67234000   -3.34099600    4.13396600
 H                  1.37906400   -3.91952100    3.54487100
 C                  1.40658100   -2.07711900    4.58603600
 H                  2.08116000   -2.36520900    5.38987600
 H                  0.70662500   -1.35252000    4.98536100
 C                  2.29571600   -1.47859200    3.51829000
 O                  2.06584200   -0.22540600    3.16906300
 O                  3.20264300   -2.10428000    3.03048700
 N                 -2.16310800    1.54533900    3.08358400
 H                 -2.77149500    1.93020900    2.37174600
 C                 -5.36642700    0.24808600   -3.07671300
 O                 -5.58833800    0.64694700   -4.41610200
 C                 -4.31568100    0.94284500   -4.95527900
 C                 -3.51161500    1.60919100   -3.83044600
 C                 -4.35462500    1.26052400   -2.57674700
 H                 -4.91942200   -0.75309200   -3.04085800
 H                 -3.80411800    0.02203800   -5.25083600
 H                 -4.45419400    1.56781400   -5.83101700
 H                 -3.47624200    2.68719300   -3.94476200
 H                 -4.88087200    2.15222000   -2.24945300
 C                 -6.68068200    0.25825200   -2.33761200
 H                 -7.34594800   -0.48633200   -2.77961500
 H                 -6.51537900   -0.00702800   -1.29625000
 O                 -7.26983700    1.53936900   -2.35299100
 H                 -7.37150000    1.79336500   -3.27364900
 O                 -3.61336000    0.69994000   -1.50948300
 P                 -2.82390600    1.66862600   -0.50539500
 O                 -1.75004800    0.83431500    0.12243700
 O                 -2.50994300    2.95199600   -1.17889800
 O                 -3.85316000    1.91951600    0.70536300
 C                 -5.08837700    2.62583500    0.48155800
 H                 -4.87319000    3.51143200   -0.11374800
 H                 -5.76346100    1.97677800   -0.06914500
 C                 -5.67157000    2.98324800    1.81967000
 H                 -4.98999500    3.61384100    2.38643300
 H                 -6.60296700    3.52553800    1.68308500
 H                 -5.88948200    2.08335300    2.38859700
 O                 -2.17573000    1.18354300   -3.77839100
 H                 -2.11105700    0.20463600   -3.65156500
 C                  4.26862100    2.03011100    0.84350500
 N                  5.15517900    1.08653800    0.54804600
 O                  3.05736300    1.85673000    0.92015700
 H                  6.12717800    1.30993200    0.38277000
 C                  0.20459600   -4.15453800    5.32414600
 H                 -0.47650700   -3.57541400    5.94539200
 H                 -0.31140400   -5.05398000    4.99966500
 H                  1.05107700   -4.44833100    5.93610100
 C                 -7.93886600   -1.70282500    2.39844400
 H                 -8.76540700   -1.01773400    2.24160700
 H                 -8.01830400   -2.48732100    1.65102000
 H                 -8.01539800   -2.14337500    3.38713900
 C                  2.04917300   -5.08400900    1.16445800
 H                  2.53723400   -4.23983300    1.64346000
 H                  1.02252700   -5.13420900    1.50670900
 H                  2.56014200   -6.00595100    1.43388400
 C                  7.54750900   -2.94854100   -0.19778600
 H                  7.32474200   -3.79735900   -0.84044800
 H                  8.16574700   -2.23649300   -0.72651400
 H                  8.08628000   -3.30660900    0.67846700
 C                  5.32152100   -3.21491800    0.74691000
 H                  5.78925900   -3.81362700    1.52709600
 H                  4.49641800   -2.68695200    1.19964300
 H                  4.95650500   -3.88860000   -0.02739100
 C                  4.91051600    3.38437100    1.13493100
 H                  5.34554000    3.34257700    2.12885200
 H                  5.71498800    3.55239500    0.42036900
 C                  4.68191400    9.02361700    0.27308600
 H                  4.36464400    9.83180800    0.92499200
 H                  5.74507900    8.87389200    0.43333700
 H                  4.50892600    9.30809300   -0.75978600
 C                  2.42642000    5.99579000    0.04491400
 H                  2.10733000    6.10419600    1.07955400
 C                  4.23793500   -6.95612000   -3.51929000
 H                  3.60035400   -7.71761600   -3.95604800
 H                  4.89861900   -6.56019500   -4.28469900
 H                  4.86098600   -7.40434300   -2.75151000
 C                 -1.69747600   -2.51220400    1.26165000
 H                 -1.40317300   -2.28349000    0.24579800
 H                 -2.22390000   -3.46498600    1.28729400
 N                 -0.48835000   -3.07258000    3.29082400
 H                 -1.41897000   -3.23711300    3.65081400

