154

N   22.444000   7.044000  18.382000 N    HID   23
H   23.337000   6.570000  18.375000 H    HID   23
C   21.598000   6.949000  19.563999 CA   HID   23
H   20.572001   6.702000  19.287001 HA   HID   23
C   22.138000   5.915000  20.552999 CB   HID   23
H   23.222000   5.930000  20.537001 HB2  HID   23
H   21.841000   6.211000  21.559000 HB3  HID   23
C   21.594000   4.535000  20.353001 CG   HID   23
N   22.316000   3.492000  19.819000 ND1  HID   23
C   21.528000   2.407000  19.808001 CE1  HID   23
H   21.827999   1.442000  19.424000 HE1  HID   23
N   20.334000   2.674000  20.301001 NE2  HID   23
C   20.371000   4.023000  20.646000 CD2  HID   23
H   19.555000   4.581000  21.082001 HD2  HID   23
C   21.617001   8.315000  20.240000 C    HID   23
O   20.598000   8.800000  20.728001 O    HID   23
N   13.847000   4.543000  25.240000 N    CYM   32
H   14.216000   4.796000  26.143999 H    CYM   32
C   14.181000   3.226000  24.702999 CA   CYM   32
H   14.925000   3.368000  23.917999 HA   CYM   32
C   14.806000   2.353000  25.792000 CB   CYM   32
H   14.041000   2.115000  26.532000 HB2  CYM   32
H   15.137000   1.417000  25.341000 HB3  CYM   32
S   16.214001   3.089000  26.669001 SG   CYM   32
C   13.009000   2.458000  24.096001 C    CYM   32
O   13.104000   1.948000  22.976999 O    CYM   32
N   11.411000   2.503000  20.445000 N    CYM   35
H   11.844000   2.477000  21.357000 H    CYM   35
C   12.070000   1.792000  19.347000 CA   CYM   35
H   11.448000   1.822000  18.454000 HA   CYM   35
C   13.406000   2.437000  19.010000 CB   CYM   35
H   14.004000   2.512000  19.920000 HB2  CYM   35
H   13.944000   1.803000  18.309999 HB3  CYM   35
S   13.260000   4.092000  18.274000 SG   CYM   35
C   12.329000   0.326000  19.657000 C    CYM   35
O   12.252000  -0.522000  18.770000 O    CYM   35
N   12.668000   0.039000  20.910000 N    HID   36
H   12.719000   0.774000  21.598000 H    HID   36
C   12.952000  -1.329000  21.337999 CA   HID   36
H   13.139000  -1.921000  20.452000 HA   HID   36
C   14.226000  -1.373000  22.183001 CB   HID   36
H   14.100000  -0.732000  23.056000 HB2  HID   36
H   14.368000  -2.399000  22.518999 HB3  HID   36
C   15.462000  -0.956000  21.450001 CG   HID   36
N   16.051001  -1.687000  20.441999 ND1  HID   36
C   17.146000  -1.024000  20.041000 CE1  HID   36
H   17.816000  -1.366000  19.264999 HE1  HID   36
N   17.302000   0.096000  20.722000 NE2  HID   36
C   16.243000   0.142000  21.608000 CD2  HID   36
H   16.066000   0.926000  22.330000 HD2  HID   36
C   11.798000  -1.879000  22.166000 C    HID   36
O   11.354000  -1.232000  23.113001 O    HID   36
FE  18.816999   1.370000  20.570000 Fe   EC    90
C   20.664000  -0.927000  18.764000 CHA  HEC   90
C   19.980000   0.003000  23.504999 CHB  HEC   90
C   17.083000   3.723000  22.375999 CHC  HEC   90
C   17.254999   2.380000  17.712000 CHD  HEC   90
N   20.083000  -0.099000  21.028999 NA   HEC   90
C   20.766001  -0.951000  20.162001 C1A  HEC   90
C   21.541000  -1.933000  20.923000 C2A  HEC   90
C   21.341999  -1.665000  22.240000 C3A  HEC   90
C   20.438000  -0.538000  22.301001 C4A  HEC   90
C   21.923000  -2.439000  23.429001 CMA  HEC   90
C   22.408001  -3.054000  20.368999 CAA  HEC   90
C   23.811001  -2.535000  20.105000 CBA  HEC   90
C   24.767000  -3.627000  19.672001 CGA  HEC   90
O   25.948000  -3.310000  19.413000 O1A  HEC   90
O   24.340000  -4.798000  19.591000 O2A  HEC   90
N   18.624001   1.799000  22.504000 NB   HEC   90
C   19.138000   1.099000  23.590000 C1B  HEC   90
C   18.724001   1.677000  24.841999 C2B  HEC   90
C   17.983000   2.780000  24.537001 C3B  HEC   90
C   17.900000   2.833000  23.082001 C4B  HEC   90
C   18.954000   1.091000  26.236000 CMB  HEC   90
C   17.431999   3.801000  25.528999 CAB  HEC   90
C   18.540001   4.540000  26.283001 CBB  HEC   90
N   17.472000   2.754000  20.143999 NC   HEC   90
C   16.882000   3.669000  20.995001 C1C  HEC   90
C   15.942000   4.509000  20.274000 C2C  HEC   90
C   15.952000   4.091000  18.985001 C3C  HEC   90
C   16.915001   3.010000  18.906000 C4C  HEC   90
C   15.044000   5.594000  20.879999 CMC  HEC   90
C   14.982000   4.509000  17.868999 CAC  HEC   90
C   15.040000   5.990000  17.490000 CBC  HEC   90
N   18.990000   0.885000  18.659000 ND   HEC   90
C   18.275000   1.435000  17.596001 C1D  HEC   90
C   18.747000   0.908000  16.334000 C2D  HEC   90
C   19.679001  -0.033000  16.612000 C3D  HEC   90
C   19.837999  -0.048000  18.062000 C4D  HEC   90
C   18.349001   1.383000  14.943000 CMD  HEC   90
C   20.372999  -0.891000  15.559000 CAD  HEC   90
C   19.615000  -2.167000  15.210000 CBD  HEC   90
C   20.295000  -2.965000  14.108000 CGD  HEC   90
O   21.539000  -2.941000  14.045000 O1D  HEC   90
O   19.590000  -3.626000  13.317000 O2D  HEC   90
H   17.443001   1.728000  14.966000 HMD3 HEC   90
H   18.954000   2.084000  14.655000 HMD2 HEC   90
H   18.396000   0.640000  14.321000 HMD1 HEC   90
H   14.821000   5.356000  21.794001 HMC3 HEC   90
H   15.512000   6.443000  20.872999 HMC2 HEC   90
H   14.230000   5.670000  20.358000 HMC1 HEC   90
H   18.976999   0.123000  26.181000 HMB3 HEC   90
H   19.798000   1.414000  26.587999 HMB2 HEC   90
H   18.233000   1.364000  26.825001 HMB1 HEC   90
H   22.044001  -1.837000  24.180000 HMA3 HEC   90
H   21.313999  -3.150000  23.681000 HMA2 HEC   90
H   22.778999  -2.820000  23.180000 HMA1 HEC   90
H   19.535000  -2.720000  16.003000 HBD2 HEC   90
H   18.714001  -1.939000  14.931000 HBD1 HEC   90
H   14.824000   6.531000  18.264999 HBC3 HEC   90
H   15.933000   6.210000  17.181000 HBC2 HEC   90
H   14.400000   6.169000  16.783001 HBC1 HEC   90
H   19.076000   3.901000  26.778000 HBB3 HEC   90
H   19.103001   5.012000  25.650000 HBB2 HEC   90
H   18.143999   5.176000  26.899000 HBB1 HEC   90
H   23.775000  -1.851000  19.417999 HBA2 HEC   90
H   24.152000  -2.112000  20.909000 HBA1 HEC   90
H   20.493000  -0.365000  14.753000 HAD2 HEC   90
H   21.257999  -1.127000  15.878000 HAD1 HEC   90
H   22.440001  -3.791000  20.999001 HAA2 HEC   90
H   22.021000  -3.398000  19.549000 HAA1 HEC   90
H   16.754000   2.611000  16.914000 HHD  HEC   90
H   16.629000   4.419000  22.875999 HHC  HEC   90
H   20.268999  -0.414000  24.330999 HHB  HEC   90
H   21.198000  -1.557000  18.256001 HHA  HEC   90
H   14.380000   3.882000  17.438000 HAC  HEC   90
H   16.486000   3.963000  25.666000 HAB  HEC   90
C   22.096853   7.733640  17.292913 CAC  HID   23  CAPPING
O   21.024837   8.332115  17.237682 OAC  HID   23  CAPPING
C   23.425034   7.278596  16.742516 CME  HID   23  CAPPING
H   24.193863   8.007774  16.998056 HM1  HID   23  CAPPING
H   23.685017   6.311385  17.172646 HM2  HID   23  CAPPING
H   23.357609   7.187250  15.658444 HM3  HID   23  CAPPING
N   22.775138   9.005725  20.304154 NT   HID   23  CAPPING
H   23.655214   8.512582  20.352905 HT1  HID   23  CAPPING
H   22.761521  10.015633  20.303399 HT2  HID   23  CAPPING
C   13.079190   5.420142  24.589373 CAC  CYM   32  CAPPING
O   12.608837   5.153197  23.485765 OAC  CYM   32  CAPPING
C   13.306369   6.307529  25.787287 CME  CYM   32  CAPPING
H   12.527066   6.126141  26.527479 HM1  CYM   32  CAPPING
H   14.280240   6.086698  26.224218 HM2  CYM   32  CAPPING
H   13.276240   7.352075  25.477259 HM3  CYM   32  CAPPING
N   11.857942   2.336090  24.790770 NT   CYM   32  CAPPING
H   11.494985   1.419375  25.009848 HT1  CYM   32  CAPPING
H   11.359738   3.161599  25.091482 HT2  CYM   32  CAPPING
C   10.270131   3.179258  20.292301 CAC  CYM   35  CAPPING
O    9.709694   3.236717  19.200033 OAC  CYM   35  CAPPING
C   10.410258   3.487989  21.761694 CME  CYM   35  CAPPING
H    9.910824   2.714587  22.345230 HM1  CYM   35  CAPPING
H   11.466789   3.518018  22.028040 HM2  CYM   35  CAPPING
H    9.954591   4.454835  21.975416 HM3  CYM   35  CAPPING
N   11.261357  -3.079297  21.859732 NT   HID   36  CAPPING
H   11.863220  -3.865202  21.659201 HT1  HID   36  CAPPING
H   10.258004  -3.191392  21.831130 HT2  HID   36  CAPPING
