1121
Coordinates from ORCA-job run_oniom
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  C          15.53675100000000     -1.16908000000000      9.45193500000000
  H          14.46726400000000     -1.27362800000000      9.26928400000000
  C          16.33273300000000     -0.05149800000000      9.03049700000000
  C          15.75766100000000      0.92228900000000      8.17129700000000
  H          14.71670700000000      0.72244200000000      7.91713600000000
  C          16.48623800000000      1.96763900000000      7.73798800000000
  H          16.11061500000000      2.76069400000000      7.09140000000000
  C          17.81095700000000      2.15156200000000      8.15126400000000
  H          18.34026900000000      3.06656100000000      7.88537200000000
  C          18.39334500000000      1.23061000000000      8.98449500000000
  C          17.66889000000000      0.12105500000000      9.42448200000000
  C          20.43065800000000      2.46590200000000      9.09579000000000
  H          21.40874600000000      2.43702300000000      9.57602900000000
  H          19.88440200000000      3.34477900000000      9.43824500000000
  H          20.56010100000000      2.51678600000000      8.01469800000000
  N          12.31422200000000     -6.93154700000000     12.67281900000000
  S          13.39170200000000     -9.20750700000000     13.83867400000000
  C          12.78760700000000     -7.87456900000000     13.16548600000000
  O           5.89290400000000     -0.76177500000000     12.05624400000000
  H           6.47320700000000     -1.46660700000000     11.79364600000000
  O           4.54455200000000      1.29013400000000     12.82714900000000
  N          10.49593000000000     -4.65224200000000     11.31946900000000
  N           9.34713800000000     -5.06021600000000     10.64131000000000
  N           8.94696200000000     -3.17283500000000     11.69490500000000
  N           8.15683000000000     -2.10073200000000     12.10669700000000
  C          10.23985700000000     -3.52997900000000     11.92491500000000
  H          10.95823400000000     -3.00248200000000     12.55242700000000
  C           8.45511300000000     -4.15197200000000     10.88764300000000
  H           7.41015100000000     -4.08745200000000     10.58430500000000
  C           8.69971700000000     -1.16908000000000     12.80711600000000
  H           9.76920400000000     -1.27362800000000     12.98976600000000
  C           7.90373500000000     -0.05149800000000     13.22855400000000
  C           8.47880700000000      0.92228900000000     14.08775300000000
  H           9.51976100000000      0.72244200000000     14.34191400000000
  C           7.75023000000000      1.96763900000000     14.52106200000000
  H           8.12585300000000      2.76069400000000     15.16765100000000
  C           6.42551100000000      2.15156200000000     14.10778600000000
  H           5.89619900000000      3.06656100000000     14.37367800000000
  C           5.84312300000000      1.23061000000000     13.27455600000000
  C           6.56757700000000      0.12105500000000     12.83456800000000
  C           3.80580900000000      2.46590200000000     13.16326000000000
  H           2.82772100000000      2.43702300000000     12.68302100000000
  H           4.35206600000000      3.34477900000000     12.82080500000000
  H           3.67636700000000      2.51678600000000     14.24435300000000
  Zn         13.44992200000000      7.60758000000000     -3.70984200000000
  N          13.25393400000000      6.44465300000000     -5.25313600000000
  S          12.17645400000000      4.16869300000000     -6.41899100000000
  C          12.78054900000000      5.50163100000000     -5.74580300000000
  O          19.67525200000000     12.61442500000000     -4.63656000000000
  H          19.09494900000000     11.90959300000000     -4.37396300000000
  O          21.02360300000000     14.66633400000000     -5.40746500000000
  N          15.07222600000000      8.72395800000000     -3.89978600000000
  N          16.22101800000000      8.31598400000000     -3.22162700000000
  N          16.62119400000000     10.20336500000000     -4.27522200000000
  N          17.41132600000000     11.27546800000000     -4.68701400000000
  C          15.32829800000000      9.84622100000000     -4.50523200000000
  H          14.60992200000000     10.37371800000000     -5.13274400000000
  C          17.11304300000000      9.22422800000000     -3.46796000000000
  H          18.15800500000000      9.28874800000000     -3.16462100000000
  C          16.86843900000000     12.20712000000000     -5.38743200000000
  H          15.79895200000000     12.10257200000000     -5.57008200000000
  C          17.66442100000000     13.32470200000000     -5.80887000000000
  C          17.08934900000000     14.29848900000000     -6.66806900000000
  H          16.04839500000000     14.09864200000000     -6.92223100000000
  C          17.81792600000000     15.34383900000000     -7.10137900000000
  H          17.44230300000000     16.13689400000000     -7.74796700000000
  C          19.14264500000000     15.52776200000000     -6.68810300000000
  H          19.67195700000000     16.44276100000000     -6.95399400000000
  C          19.72503300000000     14.60681000000000     -5.85487200000000
  C          19.00057900000000     13.49725500000000     -5.41488500000000
  C          21.76234700000000     15.84210200000000     -5.74357700000000
  H          22.74043400000000     15.81322300000000     -5.26333800000000
  H          21.21609000000000     16.72097900000000     -5.40112100000000
  H          21.89178900000000     15.89298600000000     -6.82466900000000
  N          13.64591000000000      6.44465300000000     -2.16654800000000
  S          14.72339000000000      4.16869300000000     -1.00069300000000
  C          14.11929500000000      5.50163100000000     -1.67388100000000
  O           7.22459200000000     12.61442500000000     -2.78312300000000
  H           7.80489500000000     11.90959300000000     -3.04572100000000
  O           5.87624100000000     14.66633400000000     -2.01221800000000
  N          11.82761800000000      8.72395800000000     -3.51989800000000
  N          10.67882600000000      8.31598400000000     -4.19805700000000
  N          10.27865000000000     10.20336500000000     -3.14446200000000
  N           9.48851800000000     11.27546800000000     -2.73266900000000
  C          11.57154600000000      9.84622100000000     -2.91445200000000
  H          12.28992300000000     10.37371800000000     -2.28693900000000
  C           9.78680100000000      9.22422800000000     -3.95172300000000
  H           8.74183900000000      9.28874800000000     -4.25506200000000
  C          10.03140500000000     12.20712000000000     -2.03225100000000
  H          11.10089200000000     12.10257200000000     -1.84960100000000
  C           9.23542300000000     13.32470200000000     -1.61081300000000
  C           9.81049500000000     14.29848900000000     -0.75161400000000
  H          10.85144900000000     14.09864200000000     -0.49745300000000
  C           9.08191800000000     15.34383900000000     -0.31830400000000
  H           9.45754100000000     16.13689400000000      0.32828400000000
  C           7.75719900000000     15.52776200000000     -0.73158100000000
  H           7.22788700000000     16.44276100000000     -0.46568900000000
  C           7.17481100000000     14.60681000000000     -1.56481100000000
  C           7.89926600000000     13.49725500000000     -2.00479800000000
  C           5.13749800000000     15.84210200000000     -1.67610600000000
  H           4.15941000000000     15.81322300000000     -2.15634500000000
  H           5.68375400000000     16.72097900000000     -2.01856200000000
  H           5.00805500000000     15.89298600000000     -0.59501400000000
  Zn         12.78407800000000      7.60758000000000      3.70984200000000
  N          12.58809000000000      6.44465300000000      2.16654800000000
  S          11.51061000000000      4.16869300000000      1.00069300000000
  C          12.11470500000000      5.50163100000000      1.67388100000000
  O          19.00940800000000     12.61442500000000      2.78312300000000
  H          18.42910500000000     11.90959300000000      3.04572100000000
  O          20.35775900000000     14.66633400000000      2.01221800000000
  N          14.40638200000000      8.72395800000000      3.51989800000000
  N          15.55517400000000      8.31598400000000      4.19805700000000
  N          15.95535000000000     10.20336500000000      3.14446200000000
  N          16.74548200000000     11.27546800000000      2.73266900000000
  C          14.66245400000000      9.84622100000000      2.91445200000000
  H          13.94407700000000     10.37371800000000      2.28693900000000
  C          16.44719900000000      9.22422800000000      3.95172300000000
  H          17.49216100000000      9.28874800000000      4.25506200000000
  C          16.20259500000000     12.20712000000000      2.03225100000000
  H          15.13310800000000     12.10257200000000      1.84960100000000
  C          16.99857700000000     13.32470200000000      1.61081300000000
  C          16.42350500000000     14.29848900000000      0.75161400000000
  H          15.38255100000000     14.09864200000000      0.49745300000000
  C          17.15208200000000     15.34383900000000      0.31830400000000
  H          16.77645900000000     16.13689400000000     -0.32828400000000
  C          18.47680100000000     15.52776200000000      0.73158100000000
  H          19.00611300000000     16.44276100000000      0.46568900000000
  C          19.05918900000000     14.60681000000000      1.56481100000000
  C          18.33473400000000     13.49725500000000      2.00479800000000
  C          21.09650200000000     15.84210200000000      1.67610600000000
  H          22.07459000000000     15.81322300000000      2.15634500000000
  H          20.55024600000000     16.72097900000000      2.01856200000000
  H          21.22594500000000     15.89298600000000      0.59501400000000
  N          12.98006600000000      6.44465300000000      5.25313600000000
  S          14.05754600000000      4.16869300000000      6.41899100000000
  C          13.45345100000000      5.50163100000000      5.74580300000000
  O           6.55874800000000     12.61442500000000      4.63656000000000
  H           7.13905100000000     11.90959300000000      4.37396300000000
  O           5.21039700000000     14.66633400000000      5.40746500000000
  N          11.16177400000000      8.72395800000000      3.89978600000000
  N          10.01298200000000      8.31598400000000      3.22162700000000
  N           9.61280600000000     10.20336500000000      4.27522200000000
  N           8.82267400000000     11.27546800000000      4.68701400000000
  C          10.90570200000000      9.84622100000000      4.50523200000000
  H          11.62407800000000     10.37371800000000      5.13274400000000
  C           9.12095700000000      9.22422800000000      3.46796000000000
  H           8.07599500000000      9.28874800000000      3.16462100000000
  C           9.36556100000000     12.20712000000000      5.38743200000000
  H          10.43504800000000     12.10257200000000      5.57008200000000
  C           8.56957900000000     13.32470200000000      5.80887000000000
  C           9.14465100000000     14.29848900000000      6.66806900000000
  H          10.18560500000000     14.09864200000000      6.92223100000000
  C           8.41607400000000     15.34383900000000      7.10137900000000
  H           8.79169700000000     16.13689400000000      7.74796700000000
  C           7.09135500000000     15.52776200000000      6.68810300000000
  H           6.56204300000000     16.44276100000000      6.95399400000000
  C           6.50896700000000     14.60681000000000      5.85487200000000
  C           7.23342100000000     13.49725500000000      5.41488500000000
  C           4.47165300000000     15.84210200000000      5.74357700000000
  H           3.49356600000000     15.81322300000000      5.26333800000000
  H           5.01791000000000     16.72097900000000      5.40112100000000
  H           4.34221100000000     15.89298600000000      6.82466900000000
  Zn         12.11823400000000      7.60758000000000     11.12952500000000
  N          11.92224600000000      6.44465300000000      9.58623100000000
  S          10.84476600000000      4.16869300000000      8.42037600000000
  C          11.44886100000000      5.50163100000000      9.09356400000000
  O          18.34356400000000     12.61442500000000     10.20280700000000
  H          17.76326100000000     11.90959300000000     10.46540400000000
  O          19.69191500000000     14.66633400000000      9.43190200000000
  N          13.74053800000000      8.72395800000000     10.93958100000000
  N          14.88933000000000      8.31598400000000     11.61774000000000
  N          15.28950500000000     10.20336500000000     10.56414500000000
  N          16.07963800000000     11.27546800000000     10.15235300000000
  C          13.99661000000000      9.84622100000000     10.33413500000000
  H          13.27823300000000     10.37371800000000      9.70662300000000
  C          15.78135500000000      9.22422800000000     11.37140700000000
  H          16.82631700000000      9.28874800000000     11.67474600000000
  C          15.53675100000000     12.20712000000000      9.45193500000000
  H          14.46726400000000     12.10257200000000      9.26928400000000
  C          16.33273300000000     13.32470200000000      9.03049700000000
  C          15.75766100000000     14.29848900000000      8.17129700000000
  H          14.71670700000000     14.09864200000000      7.91713600000000
  C          16.48623800000000     15.34383900000000      7.73798800000000
  H          16.11061500000000     16.13689400000000      7.09140000000000
  C          17.81095700000000     15.52776200000000      8.15126400000000
  H          18.34026900000000     16.44276100000000      7.88537200000000
  C          18.39334500000000     14.60681000000000      8.98449500000000
  C          17.66889000000000     13.49725500000000      9.42448200000000
  C          20.43065800000000     15.84210200000000      9.09579000000000
  H          21.40874600000000     15.81322300000000      9.57602900000000
  H          19.88440200000000     16.72097900000000      9.43824500000000
  H          20.56010100000000     15.89298600000000      8.01469800000000
  N          12.31422200000000      6.44465300000000     12.67281900000000
  S          13.39170200000000      4.16869300000000     13.83867400000000
  C          12.78760700000000      5.50163100000000     13.16548600000000
  O           5.89290400000000     12.61442500000000     12.05624400000000
  H           6.47320700000000     11.90959300000000     11.79364600000000
  O           4.54455200000000     14.66633400000000     12.82714900000000
  N          10.49593000000000      8.72395800000000     11.31946900000000
  N           9.34713800000000      8.31598400000000     10.64131000000000
  N           8.94696200000000     10.20336500000000     11.69490500000000
  N           8.15683000000000     11.27546800000000     12.10669700000000
  C          10.23985700000000      9.84622100000000     11.92491500000000
  H          10.95823400000000     10.37371800000000     12.55242700000000
  C           8.45511300000000      9.22422800000000     10.88764300000000
  H           7.41015100000000      9.28874800000000     10.58430500000000
  C           8.69971700000000     12.20712000000000     12.80711600000000
  H           9.76920400000000     12.10257200000000     12.98976600000000
  C           7.90373500000000     13.32470200000000     13.22855400000000
  C           8.47880700000000     14.29848900000000     14.08775300000000
  H           9.51976100000000     14.09864200000000     14.34191400000000
  C           7.75023000000000     15.34383900000000     14.52106200000000
  H           8.12585300000000     16.13689400000000     15.16765100000000
  C           6.42551100000000     15.52776200000000     14.10778600000000
  H           5.89619900000000     16.44276100000000     14.37367800000000
  C           5.84312300000000     14.60681000000000     13.27455600000000
  C           6.56757700000000     13.49725500000000     12.83456800000000
  C           3.80580900000000     15.84210200000000     13.16326000000000
  H           2.82772100000000     15.81322300000000     12.68302100000000
  H           4.35206600000000     16.72097900000000     12.82080500000000
  H           3.67636700000000     15.89298600000000     14.24435300000000
  Zn         13.44992200000000     14.29568000000000     -3.70984200000000
  N          13.25393400000000     13.13275300000000     -5.25313600000000
  S          12.17645400000000     10.85679300000000     -6.41899100000000
  C          12.78054900000000     12.18973100000000     -5.74580300000000
  O          19.67525200000000     19.30252500000000     -4.63656000000000
  H          19.09494900000000     18.59769300000000     -4.37396300000000
  O          21.02360300000000     21.35443400000000     -5.40746500000000
  N          15.07222600000000     15.41205800000000     -3.89978600000000
  N          16.22101800000000     15.00408400000000     -3.22162700000000
  N          16.62119400000000     16.89146500000000     -4.27522200000000
  N          17.41132600000000     17.96356800000000     -4.68701400000000
  C          15.32829800000000     16.53432100000000     -4.50523200000000
  H          14.60992200000000     17.06181800000000     -5.13274400000000
  C          17.11304300000000     15.91232800000000     -3.46796000000000
  H          18.15800500000000     15.97684800000000     -3.16462100000000
  C          16.86843900000000     18.89522000000000     -5.38743200000000
  H          15.79895200000000     18.79067200000000     -5.57008200000000
  C          17.66442100000000     20.01280200000000     -5.80887000000000
  C          17.08934900000000     20.98658900000000     -6.66806900000000
  H          16.04839500000000     20.78674200000000     -6.92223100000000
  C          17.81792600000000     22.03193900000000     -7.10137900000000
  H          17.44230300000000     22.82499400000000     -7.74796700000000
  C          19.14264500000000     22.21586200000000     -6.68810300000000
  H          19.67195700000000     23.13086100000000     -6.95399400000000
  C          19.72503300000000     21.29491000000000     -5.85487200000000
  C          19.00057900000000     20.18535500000000     -5.41488500000000
  C          21.76234700000000     22.53020200000000     -5.74357700000000
  H          22.74043400000000     22.50132300000000     -5.26333800000000
  H          21.21609000000000     23.40907900000000     -5.40112100000000
  H          21.89178900000000     22.58108600000000     -6.82466900000000
  N          13.64591000000000     13.13275300000000     -2.16654800000000
  S          14.72339000000000     10.85679300000000     -1.00069300000000
  C          14.11929500000000     12.18973100000000     -1.67388100000000
  O           7.22459200000000     19.30252500000000     -2.78312300000000
  H           7.80489500000000     18.59769300000000     -3.04572100000000
  O           5.87624100000000     21.35443400000000     -2.01221800000000
  N          11.82761800000000     15.41205800000000     -3.51989800000000
  N          10.67882600000000     15.00408400000000     -4.19805700000000
  N          10.27865000000000     16.89146500000000     -3.14446200000000
  N           9.48851800000000     17.96356800000000     -2.73266900000000
  C          11.57154600000000     16.53432100000000     -2.91445200000000
  H          12.28992300000000     17.06181800000000     -2.28693900000000
  C           9.78680100000000     15.91232800000000     -3.95172300000000
  H           8.74183900000000     15.97684800000000     -4.25506200000000
  C          10.03140500000000     18.89522000000000     -2.03225100000000
  H          11.10089200000000     18.79067200000000     -1.84960100000000
  C           9.23542300000000     20.01280200000000     -1.61081300000000
  C           9.81049500000000     20.98658900000000     -0.75161400000000
  H          10.85144900000000     20.78674200000000     -0.49745300000000
  C           9.08191800000000     22.03193900000000     -0.31830400000000
  H           9.45754100000000     22.82499400000000      0.32828400000000
  C           7.75719900000000     22.21586200000000     -0.73158100000000
  H           7.22788700000000     23.13086100000000     -0.46568900000000
  C           7.17481100000000     21.29491000000000     -1.56481100000000
  C           7.89926600000000     20.18535500000000     -2.00479800000000
  C           5.13749800000000     22.53020200000000     -1.67610600000000
  H           4.15941000000000     22.50132300000000     -2.15634500000000
  H           5.68375400000000     23.40907900000000     -2.01856200000000
  H           5.00805500000000     22.58108600000000     -0.59501400000000
  Zn         12.11823400000000     14.29568000000000     11.12952500000000
  N          11.92224600000000     13.13275300000000      9.58623100000000
  S          10.84476600000000     10.85679300000000      8.42037600000000
  C          11.44886100000000     12.18973100000000      9.09356400000000
  O          18.34356400000000     19.30252500000000     10.20280700000000
  H          17.76326100000000     18.59769300000000     10.46540400000000
  O          19.69191500000000     21.35443400000000      9.43190200000000
  N          13.74053800000000     15.41205800000000     10.93958100000000
  N          14.88933000000000     15.00408400000000     11.61774000000000
  N          15.28950500000000     16.89146500000000     10.56414500000000
  N          16.07963800000000     17.96356800000000     10.15235300000000
  C          13.99661000000000     16.53432100000000     10.33413500000000
  H          13.27823300000000     17.06181800000000      9.70662300000000
  C          15.78135500000000     15.91232800000000     11.37140700000000
  H          16.82631700000000     15.97684800000000     11.67474600000000
  C          15.53675100000000     18.89522000000000      9.45193500000000
  H          14.46726400000000     18.79067200000000      9.26928400000000
  C          16.33273300000000     20.01280200000000      9.03049700000000
  C          15.75766100000000     20.98658900000000      8.17129700000000
  H          14.71670700000000     20.78674200000000      7.91713600000000
  C          16.48623800000000     22.03193900000000      7.73798800000000
  H          16.11061500000000     22.82499400000000      7.09140000000000
  C          17.81095700000000     22.21586200000000      8.15126400000000
  H          18.34026900000000     23.13086100000000      7.88537200000000
  C          18.39334500000000     21.29491000000000      8.98449500000000
  C          17.66889000000000     20.18535500000000      9.42448200000000
  C          20.43065800000000     22.53020200000000      9.09579000000000
  H          21.40874600000000     22.50132300000000      9.57602900000000
  H          19.88440200000000     23.40907900000000      9.43824500000000
  H          20.56010100000000     22.58108600000000      8.01469800000000
  N          12.31422200000000     13.13275300000000     12.67281900000000
  S          13.39170200000000     10.85679300000000     13.83867400000000
  C          12.78760700000000     12.18973100000000     13.16548600000000
  O           5.89290400000000     19.30252500000000     12.05624400000000
  H           6.47320700000000     18.59769300000000     11.79364600000000
  O           4.54455200000000     21.35443400000000     12.82714900000000
  N          10.49593000000000     15.41205800000000     11.31946900000000
  N           9.34713800000000     15.00408400000000     10.64131000000000
  N           8.94696200000000     16.89146500000000     11.69490500000000
  N           8.15683000000000     17.96356800000000     12.10669700000000
  C          10.23985700000000     16.53432100000000     11.92491500000000
  H          10.95823400000000     17.06181800000000     12.55242700000000
  C           8.45511300000000     15.91232800000000     10.88764300000000
  H           7.41015100000000     15.97684800000000     10.58430500000000
  C           8.69971700000000     18.89522000000000     12.80711600000000
  H           9.76920400000000     18.79067200000000     12.98976600000000
  C           7.90373500000000     20.01280200000000     13.22855400000000
  C           8.47880700000000     20.98658900000000     14.08775300000000
  H           9.51976100000000     20.78674200000000     14.34191400000000
  C           7.75023000000000     22.03193900000000     14.52106200000000
  H           8.12585300000000     22.82499400000000     15.16765100000000
  C           6.42551100000000     22.21586200000000     14.10778600000000
  H           5.89619900000000     23.13086100000000     14.37367800000000
  C           5.84312300000000     21.29491000000000     13.27455600000000
  C           6.56757700000000     20.18535500000000     12.83456800000000
  C           3.80580900000000     22.53020200000000     13.16326000000000
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  C          -3.97234900000000      4.26633900000000      6.66806900000000
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  C           4.55189000000000      3.46510500000000      9.42448200000000
  C           7.31365800000000      5.80995200000000      9.09579000000000
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  C          22.92749500000000      4.26633900000000     -0.75161400000000
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  H          18.80075400000000      6.68882900000000     -2.01856200000000
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  C          29.56419900000000     -0.80792200000000      3.95172300000000
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  C          29.54050500000000      4.26633900000000      0.75161400000000
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  C          31.45173400000000      3.46510500000000      2.00479800000000
  C          34.21350200000000      5.80995200000000      1.67610600000000
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  H          33.66724600000000      6.68882900000000      2.01856200000000
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