127

N   18.990000  10.615000  18.528999 N    HID   26
C   17.621000  10.182000  18.778999 CA   HID   26
C   17.197001  10.138000  20.242001 C    HID   26
O   16.020000  10.323000  20.549999 O    HID   26
C   17.370001   8.819000  18.115000 CB   HID   26
C   17.403000   8.865000  16.618999 CG   HID   26
H   19.716999  10.014000  18.111000 H    HID   26
H   16.990000  10.825000  18.287001 HA   HID   26
H   18.072001   8.171000  18.429001 HB2  HID   26
H   16.468000   8.481000  18.403000 HB3  HID   26
N   18.559000   8.915000  15.871000 ND1  HID   26
C   16.385000   8.908000  15.723000 CD2  HID   26
C   18.211000   8.984000  14.575000 CE1  HID   26
N   16.900000   8.983000  14.433000 NE2  HID   26
H   19.483000   8.902000  16.216999 HD1  HID   26
H   15.402000   8.890000  15.949000 HD2  HID   26
H   18.875999   9.031000  13.817000 HE1  HID   26
N   10.916000   7.789000   9.426000 N    HID   64
C   11.445000   8.491000   8.261000 CA   HID   64
C   10.542000   8.194000   7.077000 C    HID   64
O   10.903000   7.473000   6.140000 O    HID   64
C   12.888000   8.052000   8.015000 CB   HID   64
C   13.849000   8.611000   9.017000 CG   HID   64
H   11.291000   6.885000   9.769000 H    HID   64
H   11.419000   9.471000   8.442000 HA   HID   64
H   12.937000   7.051000   8.054000 HB2  HID   64
H   13.171000   8.356000   7.102000 HB3  HID   64
N   14.364000   9.887000   8.956000 ND1  HID   64
C   14.312000   8.084000  10.178000 CD2  HID   64
C   15.100000  10.094000  10.058000 CE1  HID   64
N   15.105000   9.032000  10.838000 NE2  HID   64
H   14.221000  10.543000   8.230000 HD1  HID   64
H   14.125000   7.159000  10.524000 HD2  HID   64
H   15.586000  10.959000  10.254000 HE1  HID   64
FE  15.984000   9.052000  12.642000 FE   HEC   91
C   16.677999  12.416000  12.451000 CHA  HEC   91
C   18.792999   8.372000  10.793000 CHB  HEC   91
C   15.331000   5.728000  12.902000 CHC  HEC   91
C   12.992000   9.773000  14.192000 CHD  HEC   91
N   17.437000  10.137000  11.847000 NA   HEC   91
C   17.617001  11.528000  11.924000 C1A  HEC   91
C   18.870001  11.920000  11.303000 C2A  HEC   91
C   19.409000  10.814000  10.765000 C3A  HEC   91
C   18.532000   9.701000  11.108000 C4A  HEC   91
C   20.691000  10.747000   9.941000 CMA  HEC   91
C   19.511999  13.305000  11.273000 CAA  HEC   91
C   20.194000  13.697000  12.575000 CBA  HEC   91
C   20.813000  15.083000  12.512000 CGA  HEC   91
O   20.080999  16.049999  12.216000 O1A  HEC   91
O   22.031000  15.202000  12.759000 O2A  HEC   91
N   16.885000   7.412000  12.007000 NB   HEC   91
C   18.014000   7.300000  11.211000 C1B  HEC   91
C   18.261000   5.925000  10.841000 C2B  HEC   91
C   17.287001   5.182000  11.421000 C3B  HEC   91
C   16.459000   6.100000  12.182000 C4B  HEC   91
C   19.438000   5.412000  10.016000 CMB  HEC   91
C   17.058001   3.675000  11.276000 CAB  HEC   91
C   18.212000   2.805000  11.749000 CBB  HEC   91
N   14.525000   8.005000  13.417000 NC   HEC   91
C   14.436000   6.614000  13.486000 C1C  HEC   91
C   13.220000   6.200000  14.138000 C2C  HEC   91
C   12.557000   7.330000  14.491000 C3C  HEC   91
C   13.359000   8.442000  14.028000 C4C  HEC   91
C   12.729000   4.767000  14.316000 CMC  HEC   91
C   11.196000   7.448000  15.171000 CAC  HEC   91
C   11.043000   6.717000  16.497999 CBC  HEC   91
N   15.039000  10.717000  13.197000 ND   HEC   91
C   13.789000  10.834000  13.777000 C1D  HEC   91
C   13.406000  12.227000  13.948000 C2D  HEC   91
C   14.430000  12.972000  13.501000 C3D  HEC   91
C   15.467000  12.045000  13.038000 C4D  HEC   91
C   12.065000  12.755000  14.449000 CMD  HEC   91
C   14.384000  14.498000  13.529000 CAD  HEC   91
C   13.536000  15.165000  12.444000 CBD  HEC   91
C   14.169000  15.064000  11.075000 CGD  HEC   91
O   15.407000  15.194000  10.996000 O1D  HEC   91
O   13.439000  14.872000  10.079000 O2D  HEC   91
H   12.200000  13.600000  14.906000 HMD3 HEC   91
H   11.467000  12.886000  13.696000 HMD2 HEC   91
H   11.674000  12.115000  15.064000 HMD1 HEC   91
H   13.045000   4.222000  13.578000 HMC3 HEC   91
H   13.070000   4.409000  15.150000 HMC2 HEC   91
H   11.759000   4.757000  14.333000 HMC1 HEC   91
H   19.724001   6.101000   9.396000 HMB3 HEC   91
H   20.173000   5.184000  10.607000 HMB2 HEC   91
H   19.167000   4.624000   9.520000 HMB1 HEC   91
H   21.113001   9.883000  10.068000 HMA3 HEC   91
H   20.479000  10.868000   9.002000 HMA2 HEC   91
H   21.298000  11.447000  10.228000 HMA1 HEC   91
H   12.659000  14.752000  12.423000 HBD2 HEC   91
H   13.404000  16.099001  12.669000 HBD1 HEC   91
H   11.194000   5.768000  16.364000 HBC3 HEC   91
H   11.690000   7.061000  17.132999 HBC2 HEC   91
H   10.147000   6.856000  16.843000 HBC1 HEC   91
H   19.007999   3.017000  11.237000 HBB3 HEC   91
H   18.379000   2.972000  12.690000 HBB2 HEC   91
H   17.986000   1.870000  11.623000 HBB1 HEC   91
H   19.547001  13.667000  13.297000 HBA2 HEC   91
H   20.882999  13.047000  12.784000 HBA1 HEC   91
H   14.047000  14.778000  14.395000 HAD2 HEC   91
H   15.292000  14.832000  13.456000 HAD1 HEC   91
H   20.164000  13.334000  10.555000 HAA2 HEC   91
H   18.830999  13.963000  11.064000 HAA1 HEC   91
H   12.142000   9.970000  14.615000 HHD  HEC   91
H   15.156000   4.779000  13.004000 HHC  HEC   91
H   19.570000   8.181000  10.245000 HHB  HEC   91
H   16.882000  13.363000  12.406000 HHA  HEC   91
H   10.470000   7.959000  14.780000 HAC  HEC   91
H   16.240000   3.304000  10.911000 HAB  HEC   91
C   19.429764  11.841010  18.821798 CAC  HID   26  CAPPING
O   18.683756  12.677404  19.326138 OAC  HID   26  CAPPING
C   20.747641  11.356544  18.271746 CME  HID   26  CAPPING
H   21.338440  10.918030  19.075960 HM1  HID   26  CAPPING
H   20.566935  10.605176  17.503052 HM2  HID   26  CAPPING
H   21.291479  12.195753  17.838076 HM3  HID   26  CAPPING
N   18.114452   9.895569  21.202214 NT   HID   26  CAPPING
H   18.349136   8.944415  21.447836 HT1  HID   26  CAPPING
H   18.566158  10.665348  21.674973 HT2  HID   26  CAPPING
C    9.897982   8.253183  10.154284 CAC  HID   64  CAPPING
O    9.348915   9.315352   9.870094 OAC  HID   64  CAPPING
C   10.092864   7.006655  10.980268 CME  HID   64  CAPPING
H    9.478354   6.202380  10.575770 HM1  HID   64  CAPPING
H   11.141727   6.711425  10.951537 HM2  HID   64  CAPPING
H    9.799575   7.203874  12.011377 HM3  HID   64  CAPPING
N    9.305346   8.734614   7.046603 NT   HID   64  CAPPING
H    8.492580   8.135354   7.026625 HT1  HID   64  CAPPING
H    9.192912   9.738332   7.043839 HT2  HID   64  CAPPING
