171 

 C                 -7.48638200    2.63673400   -0.72391200
 O                 -6.94863700    1.60442200   -1.09016100
 N                 -6.78536800    3.61637700   -0.10647100
 H                 -7.27528700    4.40085700    0.28206600
 C                 -5.36797200    3.48832600    0.15425000
 H                 -4.96336600    2.87066600   -0.64509100
 C                 -4.71088400    4.86372800    0.14214800
 H                 -5.07067700    5.43163500    0.99887800
 H                 -5.01178600    5.38350000   -0.76263100
 C                 -3.22930500    4.80715800    0.17262600
 N                 -2.51623900    4.33405000    1.24526300
 H                 -2.97785700    3.96612100    2.07388200
 C                 -1.21917000    4.38689900    0.97012800
 H                 -0.42725500    4.06892100    1.61841000
 N                 -1.06771700    4.88958500   -0.23642900
 C                 -2.30088800    5.15654900   -0.75615700
 H                 -2.42398200    5.57921900   -1.73292700
 C                 -5.13138300    2.77887500    1.49652100
 O                 -4.72146400    3.39855400    2.47462100
 N                 -5.41648300    1.48433000    1.50171200
 H                 -5.77344500    1.08439000    0.64884900
 C                  3.48671300   -6.18550300   -2.66313500
 O                  2.75699900   -6.37825700   -1.70625000
 N                  3.62670000   -4.95240500   -3.20600500
 H                  4.18642600   -4.82721900   -4.02795100
 C                  3.72804500   -2.52051000   -2.90474000
 H                  3.58167200   -2.21482000   -3.93850000
 H                  4.78457400   -2.75432400   -2.78695500
 C                  3.40022900   -1.39341500   -1.92897400
 H                  4.15642000   -0.61697500   -2.02248300
 H                  3.50301500   -1.79204300   -0.91981200
 C                  2.02619200   -0.72507300   -2.02383500
 H                  1.73769000   -0.41130900   -1.02564100
 H                  1.25280900   -1.40570900   -2.36508900
 N                  1.99702800    0.50315300   -2.80243900
 H                  1.86660300    1.37049500   -2.25961300
 C                  1.91575100    0.60287200   -4.11229600
 N                  1.76506600   -0.45875800   -4.89243100
 H                  1.57821700   -1.39454600   -4.52597900
 H                  1.80158300   -0.35112500   -5.88621600
 N                  2.00727200    1.81860700   -4.66468200
 H                  2.19948600    2.62627900   -4.08868100
 H                  1.73336400    1.96418300   -5.61480900
 C                  1.52277200   -3.75468200   -3.14923000
 O                  1.17269500   -3.02613000   -4.07508000
 N                  0.67871300   -4.58317300   -2.54334400
 H                  1.05412600   -5.21048100   -1.84710000
 C                 -3.61209100   -2.30579400   -1.95274200
 H                 -3.53311200   -2.42235000   -0.87288000
 C                 -3.27319500   -0.84756400   -2.33273200
 H                 -3.79644200   -0.57823200   -3.24744700
 H                 -2.21631900   -0.83626500   -2.57707500
 C                 -3.56624500    0.15308600   -1.21042300
 H                 -3.72569200   -0.38566700   -0.27861100
 H                 -4.49562300    0.68229700   -1.40974500
 C                 -2.45219300    1.16556400   -0.95789500
 H                 -2.73634500    1.78282100   -0.10475200
 H                 -2.32066900    1.83768300   -1.80553200
 C                 -1.09943500    0.53798800   -0.67806000
 H                 -0.37968200    1.27296700   -0.33259900
 H                 -0.68827300    0.06548300   -1.56226100
 N                 -1.19914800   -0.53424100    0.34720100
 H                 -0.26983600   -0.82643300    0.64176000
 H                 -1.71002400   -0.22345100    1.18735500
 H                 -1.64447400   -1.38507400   -0.02147500
 C                 -4.99447600   -2.67519700   -2.49721100
 O                 -5.04902800   -3.26756300   -3.56673500
 N                 -6.09161000   -2.25880100   -1.84555300
 C                  5.19721700   -0.35213700    5.34605800
 O                  5.48871400    0.32460000    4.38023500
 N                  4.20343100   -1.27670300    5.31916700
 H                  3.91040200   -1.70757700    6.17711900
 C                  3.33997200   -1.45444500    4.18071500
 H                  3.74954100   -0.84816000    3.37969300
 C                  3.28139200   -2.91944300    3.74627500
 H                  2.98888700   -3.52331200    4.60253800
 H                  4.28090900   -3.22355000    3.44493600
 C                  2.29971400   -3.12147300    2.65200300
 C                  1.36657000   -2.91867500    0.73622700
 H                  1.14341500   -2.69321800   -0.29104700
 N                  0.49187900   -3.57520700    1.51317800
 H                 -0.50716100   -3.72700400    1.28746000
 C                  1.07027100   -3.70635700    2.73834100
 H                  0.58218600   -4.19171900    3.56013100
 C                  1.94971300   -0.95690000    4.55646000
 O                  1.36990100   -1.39268800    5.54261200
 N                  1.43599500   -0.00733500    3.76473100
 H                  1.92407300    0.24213800    2.91084900
 C                 -1.06505800    0.04086000    3.67368300
 O                 -1.80013000    0.60150000    2.85905100
 C                 -2.62150100   -1.80553600    4.23044700
 H                 -3.32714700   -1.08322800    3.83187600
 C                 -2.64765700   -3.02263800    3.31474400
 H                 -3.52053000   -3.62205300    3.57234400
 H                 -1.77536000   -3.64963800    3.47683800
 C                 -2.79830900   -2.67658100    1.83654300
 O                 -2.12081100   -3.32117800    0.99765500
 O                 -3.59688100   -1.76534900    1.54828100
 N                  2.47432400   -2.62262800    1.38599200
 H                  2.81199900   -0.76569800    1.12105600
 C                  5.69283700    4.82394600   -0.84948000
 O                  5.99686200    5.51770300   -2.05797800
 C                  4.82690400    5.53921000   -2.84283600
 C                  4.28364700    4.12806200   -2.68379100
 C                  4.58104500    3.84122500   -1.20883400
 H                  5.32045700    5.51907700   -0.09459700
 H                  4.09344300    6.25493800   -2.46120200
 H                  5.09697300    5.80432800   -3.85881800
 H                  4.78637900    3.42864700   -3.34464500
 H                  4.87227200    2.81281600   -1.02243900
 C                  6.95464700    4.14112900   -0.38492200
 H                  7.72981400    4.88745100   -0.20779400
 H                  6.76592200    3.61821900    0.54921000
 O                  7.37246000    3.17400000   -1.32358700
 H                  7.59561000    3.64532600   -2.12978800
 O                  3.37584000    4.14242000   -0.51964500
 P                  2.07370500    4.00429000   -1.44779400
 O                  1.39574000    2.68673800   -1.30671700
 O                  1.23035400    5.22108200   -1.29894100
 O                  2.59764300    0.18654700    1.16494000
 C                  3.64783700    0.96549300    0.60652700
 H                  3.49925900    1.04316700   -0.47203900
 H                  3.52825700    1.97008700    1.00222300
 C                  5.01737600    0.41494900    0.91997300
 H                  5.10894700   -0.61071200    0.56497000
 H                  5.78499900    1.00477900    0.42044200
 H                  5.21552000    0.43003500    1.98773600
 O                  2.88128600    4.01323600   -2.86840600
 H                 -0.10791200    5.04330600   -0.71677800
 C                 -1.41546000   -3.34398700   -2.26584200
 N                 -2.70665100   -3.25754000   -2.55886900
 O                 -0.81154400   -2.53758200   -1.56830800
 H                 -3.14027400   -3.86758500   -3.23636700
 C                 -2.98295600   -2.16673200    5.66040800
 H                 -2.28231900   -2.89436300    6.06725400
 H                 -2.97017100   -1.28869200    6.30024900
 H                 -3.97599900   -2.60482900    5.69709700
 C                  5.93399600   -0.23032900    6.65107900
 H                  6.98709700   -0.42113600    6.46949500
 H                  5.84342800    0.79291900    7.00264700
 H                  5.57431200   -0.90784400    7.41886300
 C                 -5.33485400    0.67394000    2.69821200
 H                 -5.13523000   -0.35097500    2.41216500
 H                 -4.51071500    1.03172400    3.30375300
 H                 -6.25527200    0.74087200    3.27465100
 C                 -7.38146300   -2.42014200   -2.48283600
 H                 -7.95053800   -1.50114000   -2.36141900
 H                 -7.24184000   -2.63452200   -3.53346500
 H                 -7.93704200   -3.23801300   -2.02531200
 C                 -6.15020600   -1.77612100   -0.48463800
 H                 -6.88111500   -2.36897800    0.06428900
 H                 -5.20318400   -1.86911100    0.02879200
 H                 -6.47971400   -0.73877600   -0.47402300
 C                 -0.71707800   -4.56795600   -2.85856200
 H                 -1.18057100   -5.46205400   -2.45409300
 H                 -0.85753200   -4.56680700   -3.93733200
 C                  4.28353500   -7.28862200   -3.29365700
 H                  4.95422200   -7.69635500   -2.54324600
 H                  3.60445400   -8.08188600   -3.58962200
 H                  4.86248100   -6.96828300   -4.15382800
 C                  2.95938000   -3.80171000   -2.62935400
 H                  2.92437200   -3.97946100   -1.55463600
 C                 -8.94822000    2.89214000   -0.93476100
 H                 -9.26881200    3.87540500   -0.60684200
 H                 -9.16706000    2.77601900   -1.99156300
 H                 -9.51213000    2.13387400   -0.39946500
 C                  0.23372200    0.70233500    4.11739300
 H                  0.26060100    1.68271100    3.65700000
 H                  0.21007900    0.81656000    5.19992400
 N                 -1.32310400   -1.13304500    4.24756900
 H                 -0.62126300   -1.46509500    4.89804600

