
 CHEMBL2179458

516525  0  0  0  0  0  0  0  0999 V2000
   30.4580   10.5123   14.6899 C   0  0  0  0  0
   30.2205   10.4352   13.2061 C   0  0  0  0  0
   30.0074    9.2016   12.5738 C   0  0  0  0  0
   29.7916    9.1278   11.2236 N   0  0  0  0  0
   29.7788   10.2966   10.4758 C   0  0  0  0  0
   29.5800   10.2575    9.2712 O   0  0  0  0  0
   29.9858   11.5136   11.0835 N   0  0  0  0  0
   30.2064   11.5979   12.4326 C   0  0  0  0  0
   30.3872   12.6880   12.9514 O   0  0  0  0  0
   29.5414    7.7985   10.6097 C   0  0  0  0  0
   28.0436    7.4451   10.5854 C   0  0  0  0  0
   27.7372    6.0961    9.9020 C   0  0  0  0  0
   26.2796    5.8649    9.8819 N   0  0  0  0  0
   25.6109    5.8205    8.6927 C   0  0  0  0  0
   24.2286    5.6252    8.6542 C   0  0  0  0  0
   23.4897    5.4646    9.8486 C   0  0  0  0  0
   24.2126    5.5142   11.0611 C   0  0  0  0  0
   25.5962    5.7096   11.0549 C   0  0  0  0  0
   21.9860    5.2425    9.8267 C   0  0  0  0  0
   21.2917    5.0433    8.6134 C   0  0  0  0  0
   19.9131    4.8329    8.6095 C   0  0  0  0  0
   19.2000    4.8217    9.7735 N   0  0  0  0  0
   19.8398    5.0070   10.9660 C   0  0  0  0  0
   21.2211    5.2165   11.0150 C   0  0  0  0  0
   17.7424    4.6050    9.7265 C   0  0  0  0  0
   16.9897    5.8426   10.1569 C   0  0  0  0  0
   16.7619    6.1066   11.5148 C   0  0  0  0  0
   16.0792    7.2673   11.9162 C   0  0  0  0  0
   15.6329    8.1676   10.9328 C   0  0  0  0  0
   15.8389    7.9105    9.5649 C   0  0  0  0  0
   16.5209    6.7428    9.1881 C   0  0  0  0  0
   15.3572    8.9233    8.5372 C   0  0  0  0  0
   14.2628    8.4256    7.6767 N   0  0  0  0  0
   13.0016    8.9282    7.8375 C   0  0  0  0  0
   11.9498    8.5176    7.0137 C   0  0  0  0  0
   12.1675    7.5748    5.9847 C   0  0  0  0  0
   13.4818    7.0736    5.8471 C   0  0  0  0  0
   14.5046    7.5098    6.6931 C   0  0  0  0  0
   11.0481    7.1450    5.0451 C   0  0  0  0  0
    9.7532    7.7105    5.1244 C   0  0  0  0  0
    8.7533    7.3284    4.2241 C   0  0  0  0  0
    9.0028    6.4022    3.2539 N   0  0  0  0  0
   10.2365    5.8271    3.1573 C   0  0  0  0  0
   11.2635    6.1799    4.0348 C   0  0  0  0  0
    7.9494    6.0435    2.2900 C   0  0  0  0  0
    6.7583    5.4110    2.9654 C   0  0  0  0  0
    6.9188    4.2221    3.6975 C   0  0  0  0  0
    5.8107    3.6096    4.2975 C   0  0  0  0  0
    4.5458    4.1885    4.1639 C   0  0  0  0  0
    4.3662    5.3762    3.4482 C   0  0  0  0  0
    5.4795    5.9898    2.8445 C   0  0  0  0  0
    2.9568    5.9123    3.3569 C   0  0  0  0  0
    2.7996    7.2073    2.6789 N   0  0  0  0  0
    2.0800    7.2768    1.5233 C   0  0  0  0  0
    1.8267    8.5023    0.9120 C   0  0  0  0  0
    2.3026    9.7024    1.4858 C   0  0  0  0  0
    3.0655    9.5948    2.6698 C   0  0  0  0  0
    3.3022    8.3430    3.2463 C   0  0  0  0  0
    1.9492   11.0486    0.8842 C   0  0  0  0  0
    1.3468   11.1441   -0.3880 C   0  0  0  0  0
    0.9513   12.3804   -0.8916 C   0  0  0  0  0
    1.1336   13.5239   -0.1693 N   0  0  0  0  0
    1.7361   13.4752    1.0538 C   0  0  0  0  0
    2.1543   12.2539    1.5949 C   0  0  0  0  0
    0.6210   14.7934   -0.7031 C   0  0  0  0  0
    1.3027   15.1677   -1.9927 C   0  0  0  0  0
    2.5665   15.7734   -1.9738 C   0  0  0  0  0
    3.1935   16.1438   -3.1739 C   0  0  0  0  0
    2.5479   15.9030   -4.3975 C   0  0  0  0  0
    1.2828   15.2963   -4.4227 C   0  0  0  0  0
    0.6657   14.9311   -3.2187 C   0  0  0  0  0
    0.5774   15.0661   -5.7350 C   0  0  0  0  0
   -0.0636   16.3082   -6.1887 N   0  0  0  0  0
    0.3319   16.9188   -7.3432 C   0  0  0  0  0
   -0.2865   18.0991   -7.7730 C   0  0  0  0  0
   -1.3403   18.6672   -7.0223 C   0  0  0  0  0
   -1.7246   18.0038   -5.8396 C   0  0  0  0  0
   -1.0770   16.8385   -5.4429 C   0  0  0  0  0
   -2.0301   19.9416   -7.4557 C   0  0  0  0  0
   -1.4698   20.7858   -8.4376 C   0  0  0  0  0
   -2.1118   21.9747   -8.7962 C   0  0  0  0  0
   -3.2934   22.3339   -8.2132 N   0  0  0  0  0
   -3.8706   21.5255   -7.2767 C   0  0  0  0  0
   -3.2574   20.3381   -6.8825 C   0  0  0  0  0
   -3.9438   23.6019   -8.5787 C   0  0  0  0  0
   -3.0908   24.7897   -8.1111 C   0  0  0  0  0
   -3.8226   26.1224   -8.2973 C   0  0  0  0  0
   -3.0266   27.2175   -7.7144 N   0  0  0  0  0
   -1.9721   27.7260   -8.4189 C   0  0  0  0  0
   -1.1947   28.7656   -7.8955 C   0  0  0  0  0
   -1.5086   29.2606   -6.6210 C   0  0  0  0  0
   -0.8506   30.1593   -6.1238 O   0  0  0  0  0
   -2.5642   28.7322   -5.9276 N   0  0  0  0  0
   -3.3264   27.7265   -6.4624 C   0  0  0  0  0
   -4.2574   27.2744   -5.8153 O   0  0  0  0  0
   -0.0571   29.3234   -8.7090 C   0  0  0  0  0
    4.5451   16.8097   -3.1351 C   0  0  0  0  0
    4.4141   18.1984   -2.6713 N   0  0  0  0  0
    4.9441   18.5917   -1.4761 C   0  0  0  0  0
    4.8249   19.9191   -1.0463 C   0  0  0  0  0
    4.1726   20.8746   -1.8567 C   0  0  0  0  0
    3.6432   20.4333   -3.0851 C   0  0  0  0  0
    3.7666   19.0996   -3.4670 C   0  0  0  0  0
    4.0449   22.3188   -1.4326 C   0  0  0  0  0
    4.2177   22.7065   -0.0890 C   0  0  0  0  0
    4.0830   24.0474    0.2796 C   0  0  0  0  0
    3.7980   25.0057   -0.6528 N   0  0  0  0  0
    3.6406   24.6624   -1.9638 C   0  0  0  0  0
    3.7500   23.3317   -2.3705 C   0  0  0  0  0
    3.6726   26.4120   -0.2392 C   0  0  0  0  0
    2.4253   26.6115    0.6311 C   0  0  0  0  0
    2.3461   28.0413    1.1785 C   0  0  0  0  0
    1.1236   28.2075    1.9841 N   0  0  0  0  0
    1.2152   28.2155    3.3459 C   0  0  0  0  0
    0.0704   28.3426    4.1396 C   0  0  0  0  0
   -1.1708   28.4863    3.5069 C   0  0  0  0  0
   -2.1896   28.6063    4.1676 O   0  0  0  0  0
   -1.2424   28.4880    2.1400 N   0  0  0  0  0
   -0.1124   28.3420    1.3747 C   0  0  0  0  0
   -0.2060   28.3446    0.1591 O   0  0  0  0  0
    0.1764   28.3113    5.6393 C   0  0  0  0  0
    5.9566    2.3378    5.0911 C   0  0  0  0  0
    6.5037    1.2375    4.2848 N   0  0  0  0  0
    7.6243    0.5892    4.7144 C   0  0  0  0  0
    8.1302   -0.4990    4.0107 C   0  0  0  0  0
    7.5029   -0.9363    2.8280 C   0  0  0  0  0
    6.3670   -0.2318    2.3857 C   0  0  0  0  0
    5.8745    0.8418    3.1359 C   0  0  0  0  0
    8.0195   -2.1376    2.0877 C   0  0  0  0  0
    8.7787   -3.1083    2.7608 C   0  0  0  0  0
    9.2298   -4.2387    2.0915 C   0  0  0  0  0
    8.9773   -4.4213    0.7610 N   0  0  0  0  0
    8.2304   -3.4964    0.0799 C   0  0  0  0  0
    7.7374   -2.3544    0.7258 C   0  0  0  0  0
    9.4503   -5.6415    0.0734 C   0  0  0  0  0
   10.9614   -5.6979   -0.1457 C   0  0  0  0  0
   11.4677   -5.8023   -1.4582 C   0  0  0  0  0
   12.8513   -5.9156   -1.6903 C   0  0  0  0  0
   13.7318   -5.9182   -0.5986 C   0  0  0  0  0
   13.2473   -5.8110    0.7068 C   0  0  0  0  0
   11.8707   -5.7033    0.9298 C   0  0  0  0  0
   14.2082   -5.8575    1.8690 C   0  0  0  0  0
   14.6816   -7.2345    2.0620 N   0  0  0  0  0
   15.9933   -7.5601    1.8733 C   0  0  0  0  0
   16.4323   -8.8775    2.0527 C   0  0  0  0  0
   15.5229   -9.8851    2.4481 C   0  0  0  0  0
   14.1800   -9.5066    2.6434 C   0  0  0  0  0
   13.7831   -8.1892    2.4422 C   0  0  0  0  0
   15.9579  -11.3201    2.6434 C   0  0  0  0  0
   17.1920  -11.7869    2.1471 C   0  0  0  0  0
   17.5554  -13.1256    2.3099 C   0  0  0  0  0
   16.7315  -14.0017    2.9592 N   0  0  0  0  0
   15.5418  -13.5742    3.4709 C   0  0  0  0  0
   15.1358  -12.2488    3.3192 C   0  0  0  0  0
   17.1274  -15.4109    3.1021 C   0  0  0  0  0
   17.1415  -16.0988    1.7313 C   0  0  0  0  0
   17.6133  -17.5517    1.8279 C   0  0  0  0  0
   17.5941  -18.1673    0.4906 N   0  0  0  0  0
   18.7528  -18.2375   -0.2279 C   0  0  0  0  0
   18.7642  -18.7837   -1.5151 C   0  0  0  0  0
   17.5655  -19.2777   -2.0445 C   0  0  0  0  0
   17.5394  -19.7666   -3.1619 O   0  0  0  0  0
   16.4139  -19.2064   -1.3060 N   0  0  0  0  0
   16.4161  -18.6492   -0.0522 C   0  0  0  0  0
   15.3743  -18.5914    0.5810 O   0  0  0  0  0
   20.0384  -18.8239   -2.3129 C   0  0  0  0  0
   13.4145   -6.0537   -3.0896 C   0  0  0  0  0
   13.2287   -7.4206   -3.6101 N   0  0  0  0  0
   11.9942   -7.8643   -3.9893 C   0  0  0  0  0
   11.8164   -9.1648   -4.4690 C   0  0  0  0  0
   12.9127  -10.0499   -4.5623 C   0  0  0  0  0
   14.1746   -9.5577   -4.1713 C   0  0  0  0  0
   14.3110   -8.2494   -3.7090 C   0  0  0  0  0
   12.7424  -11.4723   -5.0542 C   0  0  0  0  0
   11.5560  -11.8921   -5.6920 C   0  0  0  0  0
   11.4163  -13.2111   -6.1268 C   0  0  0  0  0
   12.4174  -14.1216   -5.9384 N   0  0  0  0  0
   13.5804  -13.7452   -5.3321 C   0  0  0  0  0
   13.7624  -12.4349   -4.8862 C   0  0  0  0  0
   12.2429  -15.5087   -6.3984 C   0  0  0  0  0
   11.1103  -16.2021   -5.6277 C   0  0  0  0  0
   10.8745  -17.6261   -6.1397 C   0  0  0  0  0
    9.7649  -18.2477   -5.3988 N   0  0  0  0  0
    8.5096  -18.2256   -5.9380 C   0  0  0  0  0
    7.4263  -18.7824   -5.2517 C   0  0  0  0  0
    7.6570  -19.3807   -4.0071 C   0  0  0  0  0
    6.7368  -19.8820   -3.3828 O   0  0  0  0  0
    8.9239  -19.3991   -3.4839 N   0  0  0  0  0
    9.9723  -18.8323   -4.1631 C   0  0  0  0  0
   11.0900  -18.8571   -3.6709 O   0  0  0  0  0
    6.0430  -18.7264   -5.8403 C   0  0  0  0  0
   15.8573    7.5281   13.3986 C   0  0  0  0  0
   14.4295    7.4786   13.7701 N   0  0  0  0  0
   13.9497    6.3991   14.4562 C   0  0  0  0  0
   12.6019    6.3148   14.8132 C   0  0  0  0  0
   11.7035    7.3521   14.4770 C   0  0  0  0  0
   12.2372    8.4628   13.7882 C   0  0  0  0  0
   13.5900    8.5069   13.4507 C   0  0  0  0  0
   10.2265    7.2699   14.8250 C   0  0  0  0  0
    9.7074    6.2069   15.5979 C   0  0  0  0  0
    8.3397    6.1279   15.8670 C   0  0  0  0  0
    7.4764    7.0724   15.3917 N   0  0  0  0  0
    7.9470    8.1264   14.6645 C   0  0  0  0  0
    9.3064    8.2422   14.3699 C   0  0  0  0  0
    6.0325    6.9411   15.6454 C   0  0  0  0  0
    5.4848    5.7120   14.9053 C   0  0  0  0  0
    3.9734    5.5466   15.0824 C   0  0  0  0  0
    3.5080    4.3950   14.2897 N   0  0  0  0  0
    3.4392    3.1628   14.8745 C   0  0  0  0  0
    3.0268    2.0439   14.1432 C   0  0  0  0  0
    2.6783    2.2156   12.7951 C   0  0  0  0  0
    2.3123    1.2662   12.1223 O   0  0  0  0  0
    2.7534    3.4594   12.2266 N   0  0  0  0  0
    3.1677    4.5441   12.9568 C   0  0  0  0  0
    3.2321    5.6385   12.4204 O   0  0  0  0  0
    2.9760    0.6983   14.8165 C   0  0  0  0  0
   -6.3982    1.9411   -6.0781 F   0  0  0  0  0
   -6.4559    0.2242   -6.0565 P   0  0  0  0  0
   -6.6287    0.2095   -7.7658 F   0  0  0  0  0
   -7.8520    0.7637   -5.2130 F   0  0  0  0  0
   -5.8582   -0.4866   -4.6113 F   0  0  0  0  0
   -7.2591   -1.2434   -6.4468 F   0  0  0  0  0
   -4.7476    0.1637   -6.2277 F   0  0  0  0  0
   -1.0090    5.8783    0.6181 F   0  0  0  0  0
   -0.7410    4.5085   -0.3835 P   0  0  0  0  0
    0.4777    5.3898   -1.2136 F   0  0  0  0  0
   -1.9031    3.6786    0.5716 F   0  0  0  0  0
   -1.9346    5.0800   -1.4788 F   0  0  0  0  0
   -0.5999    3.1606   -1.4391 F   0  0  0  0  0
    0.5034    3.8603    0.6069 F   0  0  0  0  0
   -5.7053    2.1227    5.2392 F   0  0  0  0  0
   -4.0566    2.5630    5.0407 P   0  0  0  0  0
   -5.7053    2.1227    5.2392 F   0  0  0  0  0
   -5.7053    2.1227    5.2392 F   0  0  0  0  0
   -3.7817    3.0248    6.6725 F   0  0  0  0  0
   -3.5053    1.0237    4.5141 F   0  0  0  0  0
   -4.3229    3.7902    3.8682 F   0  0  0  0  0
    4.3659   -1.3218   -6.0716 F   0  0  0  0  0
    3.1833   -2.3188   -5.3241 P   0  0  0  0  0
    3.8743   -3.4983   -6.3644 F   0  0  0  0  0
    1.9243   -3.3993   -4.8803 F   0  0  0  0  0
    4.1206   -2.9169   -4.0150 F   0  0  0  0  0
    1.9797   -1.7476   -6.4087 F   0  0  0  0  0
    2.8287   -1.0281   -4.2480 F   0  0  0  0  0
   -1.2338   -8.0440    5.1003 F   0  0  0  0  0
   -2.4447   -6.8447    5.3174 P   0  0  0  0  0
   -1.4131   -5.9984    6.3995 F   0  0  0  0  0
   -3.7390   -5.9278    4.6575 F   0  0  0  0  0
   -3.2261   -6.8437    6.8474 F   0  0  0  0  0
   -1.7983   -5.9520    3.9996 F   0  0  0  0  0
   -3.2629   -8.2971    4.9024 F   0  0  0  0  0
   -2.6143   -8.5264   -1.3042 F   0  0  0  0  0
   -2.0471   -7.0703   -2.0179 P   0  0  0  0  0
   -1.4172   -8.3183   -3.0165 F   0  0  0  0  0
   -3.6538   -6.6748   -2.4789 F   0  0  0  0  0
   -0.4589   -6.7029   -1.4761 F   0  0  0  0  0
   -1.8709   -5.9496   -3.3073 F   0  0  0  0  0
   -2.2727   -6.2503   -0.5254 F   0  0  0  0  0
    3.4976   -2.2470    1.1887 F   0  0  0  0  0
    3.2623   -2.8935   -0.3855 P   0  0  0  0  0
    3.4976   -2.2470    1.1887 F   0  0  0  0  0
    1.5531   -2.8985   -0.5588 F   0  0  0  0  0
    4.8592   -3.2189   -0.9279 F   0  0  0  0  0
    3.1125   -4.5797   -0.0934 F   0  0  0  0  0
    3.2613   -1.4976   -1.3851 F   0  0  0  0  0
    8.3611   -0.9539   -2.6281 F   0  0  0  0  0
    7.1196    0.2103   -2.8623 P   0  0  0  0  0
    5.6302    0.8271   -3.4563 F   0  0  0  0  0
    7.3180    0.7428   -1.2411 F   0  0  0  0  0
    7.8355    1.7615   -3.0410 F   0  0  0  0  0
    5.9519   -0.9389   -2.3515 F   0  0  0  0  0
    7.5984   -0.1883   -4.4633 F   0  0  0  0  0
   -0.6548    4.5652    3.4771 F   0  0  0  0  0
   -0.5199    5.5051    4.9084 P   0  0  0  0  0
   -0.6548    4.5652    3.4771 F   0  0  0  0  0
   -0.6548    4.5652    3.4771 F   0  0  0  0  0
    0.6822    4.5378    5.6643 F   0  0  0  0  0
   -0.0527    6.9679    4.1385 F   0  0  0  0  0
   -2.1523    5.3335    5.4113 F   0  0  0  0  0
   -1.1039   -1.1348   -5.4740 F   0  0  0  0  0
   -1.6347   -2.0155   -4.0979 P   0  0  0  0  0
   -2.3785   -0.5977   -3.4749 F   0  0  0  0  0
   -3.2525   -2.3502   -4.5689 F   0  0  0  0  0
   -0.1643   -1.6182   -3.3035 F   0  0  0  0  0
   -1.1109   -3.3587   -5.0319 F   0  0  0  0  0
   -1.8029   -3.0309   -2.7231 F   0  0  0  0  0
    2.3985   -8.3092    4.0598 F   0  0  0  0  0
    3.4891   -9.0933    5.1308 P   0  0  0  0  0
    4.5037   -9.4954    3.8040 F   0  0  0  0  0
    4.3521   -7.6225    5.3389 F   0  0  0  0  0
    2.2829   -8.7742    6.3118 F   0  0  0  0  0
    4.5351   -9.6826    6.3597 F   0  0  0  0  0
    2.8628  -10.6780    4.9119 F   0  0  0  0  0
    5.7863    3.2087    0.7500 F   0  0  0  0  0
    4.4425    2.9523   -0.2877 P   0  0  0  0  0
    4.3383    1.2401   -0.3787 F   0  0  0  0  0
    4.3383    1.2401   -0.3787 F   0  0  0  0  0
    5.4955    3.3538   -1.5840 F   0  0  0  0  0
    3.4350    3.3402    1.0464 F   0  0  0  0  0
    3.1602    3.4773   -1.3034 F   0  0  0  0  0
   -2.0567    6.2513   16.2061 F   0  0  0  0  0
   -0.9654    6.6684   14.9463 P   0  0  0  0  0
   -0.8058    5.0071   14.5396 F   0  0  0  0  0
   -2.1330    7.9236   15.0650 F   0  0  0  0  0
    0.2415    7.8218   14.5415 F   0  0  0  0  0
   -1.3444    6.4731   13.2821 F   0  0  0  0  0
    0.3486    6.5248   16.0433 F   0  0  0  0  0
    4.7377    3.8852   -7.0567 F   0  0  0  0  0
    5.6841    5.0223   -7.9300 P   0  0  0  0  0
    4.7215    6.4448   -7.8953 F   0  0  0  0  0
    5.1547    4.8122   -9.5509 F   0  0  0  0  0
    7.0805    4.1208   -8.3645 F   0  0  0  0  0
    4.7377    3.8852   -7.0567 F   0  0  0  0  0
    6.6465    5.7530   -6.7089 F   0  0  0  0  0
    2.9395   -6.2751   -5.5834 F   0  0  0  0  0
    2.6486   -7.0004   -4.0538 P   0  0  0  0  0
    2.1190   -7.9283   -2.7087 F   0  0  0  0  0
    2.5466   -8.5354   -4.8184 F   0  0  0  0  0
    4.3432   -7.1935   -3.8480 F   0  0  0  0  0
    1.0458   -6.4542   -4.3428 F   0  0  0  0  0
    2.9070   -5.6467   -3.0285 F   0  0  0  0  0
    5.0373    0.7727  -14.6273 F   0  0  0  0  0
    4.5544    0.4166  -13.0176 P   0  0  0  0  0
    5.8287    1.3999  -12.4170 F   0  0  0  0  0
    3.5090    1.7798  -13.0294 F   0  0  0  0  0
    3.6982    0.0984  -11.5626 F   0  0  0  0  0
    5.6773   -0.8238  -12.6280 F   0  0  0  0  0
    3.5753   -0.7283  -13.8434 F   0  0  0  0  0
   -0.1000    1.6224    4.6886 F   0  0  0  0  0
    0.8004    0.9304    3.3994 P   0  0  0  0  0
    0.0225   -0.5276    2.9297 F   0  0  0  0  0
    2.1940    0.4683    2.5072 F   0  0  0  0  0
    1.6566    2.4052    3.2008 F   0  0  0  0  0
   -0.3931    1.4638    2.2851 F   0  0  0  0  0
    1.4265    0.1437    4.7923 F   0  0  0  0  0
   -6.8752   -3.4339   -1.1048 F   0  0  0  0  0
   -5.1685   -3.2789   -0.9850 P   0  0  0  0  0
   -4.9999   -3.8973   -2.5787 F   0  0  0  0  0
   -4.7851   -1.8563   -1.8680 F   0  0  0  0  0
   -5.7090   -2.3127    0.3285 F   0  0  0  0  0
   -3.5848   -3.2975   -0.3200 F   0  0  0  0  0
   -5.0722   -4.8731   -0.3526 F   0  0  0  0  0
   30.4372    9.5098   15.1658 H   0  0  0  0  0
   29.6736   11.1426   15.1612 H   0  0  0  0  0
   31.4506   10.9727   14.8804 H   0  0  0  0  0
   30.0096    8.2956   13.1666 H   0  0  0  0  0
   29.9734   12.3930   10.5160 H   0  0  0  0  0
   29.9189    7.8000    9.5626 H   0  0  0  0  0
   30.1075    7.0061   11.1454 H   0  0  0  0  0
   27.4926    8.2270   10.0204 H   0  0  0  0  0
   27.6737    7.4106   11.6291 H   0  0  0  0  0
   28.2424    5.2531   10.4253 H   0  0  0  0  0
   28.1409    6.1281    8.8636 H   0  0  0  0  0
   26.1433    5.9473    7.7576 H   0  0  0  0  0
   23.7657    5.6151    7.6839 H   0  0  0  0  0
   23.7380    5.3984   12.0199 H   0  0  0  0  0
   26.1213    5.7368   12.0018 H   0  0  0  0  0
   21.7864    5.0358    7.6593 H   0  0  0  0  0
   19.4154    4.6832    7.6587 H   0  0  0  0  0
   19.2884    4.9884   11.8945 H   0  0  0  0  0
   21.6607    5.3602   11.9866 H   0  0  0  0  0
   17.4474    3.7222   10.3344 H   0  0  0  0  0
   17.4271    4.3600    8.6871 H   0  0  0  0  0
   17.1109    5.4049   12.2607 H   0  0  0  0  0
   15.1339    9.0758   11.2183 H   0  0  0  0  0
   16.7220    6.5371    8.1511 H   0  0  0  0  0
   16.2033    9.2838    7.9130 H   0  0  0  0  0
   14.9992    9.8204    9.0898 H   0  0  0  0  0
   12.7977    9.6617    8.6088 H   0  0  0  0  0
   10.9864    8.9584    7.1970 H   0  0  0  0  0
   13.7523    6.3640    5.0863 H   0  0  0  0  0
   15.4980    7.1278    6.5262 H   0  0  0  0  0
    9.4929    8.4550    5.8552 H   0  0  0  0  0
    7.7746    7.7885    4.2982 H   0  0  0  0  0
   10.4401    5.0919    2.3875 H   0  0  0  0  0
   12.2105    5.6912    3.8945 H   0  0  0  0  0
    8.3296    5.3164    1.5384 H   0  0  0  0  0
    7.6500    6.9575    1.7314 H   0  0  0  0  0
    7.9001    3.7723    3.7923 H   0  0  0  0  0
    3.6871    3.7140    4.6255 H   0  0  0  0  0
    5.3589    6.8988    2.2713 H   0  0  0  0  0
    2.5499    6.0187    4.3856 H   0  0  0  0  0
    2.3514    5.1289    2.8487 H   0  0  0  0  0
    1.6715    6.3789    1.0771 H   0  0  0  0  0
    1.2236    8.4859    0.0214 H   0  0  0  0  0
    3.4706   10.4579    3.1705 H   0  0  0  0  0
    3.8657    8.2863    4.1705 H   0  0  0  0  0
    1.1593   10.2826   -1.0046 H   0  0  0  0  0
    0.4687   12.4164   -1.8608 H   0  0  0  0  0
    1.8766   14.3812    1.6315 H   0  0  0  0  0
    2.5949   12.2717    2.5773 H   0  0  0  0  0
    0.7235   15.6348    0.0180 H   0  0  0  0  0
   -0.4718   14.6674   -0.8717 H   0  0  0  0  0
    3.0586   15.9633   -1.0268 H   0  0  0  0  0
    3.0223   16.1948   -5.3270 H   0  0  0  0  0
   -0.3148   14.4704   -3.2354 H   0  0  0  0  0
   -0.2142   14.2918   -5.6254 H   0  0  0  0  0
    1.3078   14.6651   -6.4725 H   0  0  0  0  0
    1.1325   16.4970   -7.9390 H   0  0  0  0  0
    0.0587   18.5391   -8.6941 H   0  0  0  0  0
   -2.5068   18.3740   -5.1990 H   0  0  0  0  0
   -1.3959   16.3536   -4.5283 H   0  0  0  0  0
   -0.5318   20.5591   -8.9170 H   0  0  0  0  0
   -1.6551   22.6134   -9.5425 H   0  0  0  0  0
   -4.8099   21.8035   -6.8127 H   0  0  0  0  0
   -3.7633   19.7460   -6.1387 H   0  0  0  0  0
   -4.9338   23.6799   -8.0747 H   0  0  0  0  0
   -4.1251   23.6427   -9.6748 H   0  0  0  0  0
   -2.1149   24.8063   -8.6405 H   0  0  0  0  0
   -2.8997   24.6623   -7.0221 H   0  0  0  0  0
   -4.8031   26.0389   -7.7808 H   0  0  0  0  0
   -4.0494   26.3311   -9.3666 H   0  0  0  0  0
   -1.7379   27.3322   -9.4023 H   0  0  0  0  0
   -2.7928   29.1007   -4.9755 H   0  0  0  0  0
    0.4796   30.1405   -8.1829 H   0  0  0  0  0
   -0.4529   29.7337   -9.6623 H   0  0  0  0  0
    0.6725   28.5187   -8.9361 H   0  0  0  0  0
    5.0160   16.8275   -4.1431 H   0  0  0  0  0
    5.2138   16.2058   -2.4821 H   0  0  0  0  0
    5.4603   17.8784   -0.8447 H   0  0  0  0  0
    5.2656   20.1843   -0.0981 H   0  0  0  0  0
    3.1185   21.0968   -3.7530 H   0  0  0  0  0
    3.3487   18.7877   -4.4172 H   0  0  0  0  0
    4.4355   21.9892    0.6867 H   0  0  0  0  0
    4.2156   24.3197    1.3202 H   0  0  0  0  0
    3.4206   25.4196   -2.7069 H   0  0  0  0  0
    3.6219   23.1189   -3.4193 H   0  0  0  0  0
    3.5745   27.0832   -1.1219 H   0  0  0  0  0
    4.5946   26.7106    0.3071 H   0  0  0  0  0
    1.5272   26.3729    0.0223 H   0  0  0  0  0
    2.4515   25.9207    1.5010 H   0  0  0  0  0
    2.3743   28.8065    0.3713 H   0  0  0  0  0
    3.2527   28.1987    1.8051 H   0  0  0  0  0
    2.1813   28.1000    3.8243 H   0  0  0  0  0
   -2.1720   28.5976    1.6712 H   0  0  0  0  0
   -0.4215   27.4622    6.0339 H   0  0  0  0  0
   -0.2099   29.2600    6.0658 H   0  0  0  0  0
    1.2274   28.1766    5.9732 H   0  0  0  0  0
    6.5999    2.5495    5.9737 H   0  0  0  0  0
    4.9676    2.0164    5.4858 H   0  0  0  0  0
    8.1250    0.8981    5.6245 H   0  0  0  0  0
    9.0148   -0.9810    4.3976 H   0  0  0  0  0
    5.8336   -0.5247    1.4933 H   0  0  0  0  0
    4.9804    1.3530    2.7987 H   0  0  0  0  0
    8.9970   -3.0297    3.8146 H   0  0  0  0  0
    9.7542   -4.9786    2.6668 H   0  0  0  0  0
    8.0056   -3.6381   -0.9706 H   0  0  0  0  0
    7.1559   -1.6480    0.1526 H   0  0  0  0  0
    8.9556   -5.7195   -0.9203 H   0  0  0  0  0
    9.1189   -6.5350    0.6458 H   0  0  0  0  0
   10.7829   -5.7983   -2.2929 H   0  0  0  0  0
   14.7991   -6.0160   -0.7613 H   0  0  0  0  0
   11.5349   -5.6635    1.9444 H   0  0  0  0  0
   13.7172   -5.5296    2.8122 H   0  0  0  0  0
   15.0382   -5.1421    1.6754 H   0  0  0  0  0
   16.7080   -6.8025    1.5743 H   0  0  0  0  0
   17.4781   -9.0836    1.8930 H   0  0  0  0  0
   13.4185  -10.2118    2.9296 H   0  0  0  0  0
   12.7419   -7.9301    2.5952 H   0  0  0  0  0
   17.8729  -11.1444    1.6131 H   0  0  0  0  0
   18.5047  -13.4618    1.9097 H   0  0  0  0  0
   14.8879  -14.2641    3.9912 H   0  0  0  0  0
   14.1858  -11.9726    3.7441 H   0  0  0  0  0
   18.1258  -15.4644    3.5896 H   0  0  0  0  0
   16.4081  -15.9644    3.7466 H   0  0  0  0  0
   16.1181  -16.0572    1.3003 H   0  0  0  0  0
   17.8326  -15.5631    1.0453 H   0  0  0  0  0
   16.9966  -18.1497    2.5353 H   0  0  0  0  0
   18.6482  -17.5406    2.2374 H   0  0  0  0  0
   19.6730  -17.8463    0.1912 H   0  0  0  0  0
   15.5204  -19.5762   -1.7058 H   0  0  0  0  0
   20.8875  -18.3789   -1.7512 H   0  0  0  0  0
   20.2939  -19.8739   -2.5639 H   0  0  0  0  0
   19.9053  -18.2446   -3.2514 H   0  0  0  0  0
   14.5047   -5.8353   -3.0322 H   0  0  0  0  0
   13.0046   -5.2884   -3.7834 H   0  0  0  0  0
   11.1343   -7.2144   -3.9319 H   0  0  0  0  0
   10.8170   -9.4598   -4.7409 H   0  0  0  0  0
   15.0667  -10.1583   -4.2229 H   0  0  0  0  0
   15.2958   -7.9061   -3.4139 H   0  0  0  0  0
   10.7348  -11.2198   -5.8754 H   0  0  0  0  0
   10.4973  -13.5019   -6.6215 H   0  0  0  0  0
   14.3777  -14.4632   -5.1805 H   0  0  0  0  0
   14.6947  -12.2049   -4.3993 H   0  0  0  0  0
   13.1727  -16.1002   -6.2421 H   0  0  0  0  0
   12.0266  -15.5041   -7.4896 H   0  0  0  0  0
   10.1636  -15.6354   -5.7586 H   0  0  0  0  0
   11.3622  -16.2212   -4.5458 H   0  0  0  0  0
   11.7900  -18.2543   -6.0653 H   0  0  0  0  0
   10.6248  -17.5602   -7.2224 H   0  0  0  0  0
    8.3437  -17.7553   -6.9006 H   0  0  0  0  0
    9.0911  -19.8469   -2.5535 H   0  0  0  0  0
    5.3698  -18.1716   -5.1527 H   0  0  0  0  0
    5.6522  -19.7549   -5.9838 H   0  0  0  0  0
    6.0363  -18.2072   -6.8225 H   0  0  0  0  0
   16.3088    8.4936   13.7136 H   0  0  0  0  0
   16.4067    6.7447   13.9673 H   0  0  0  0  0
   14.6084    5.5802   14.7215 H   0  0  0  0  0
   12.2901    5.4275   15.3348 H   0  0  0  0  0
   11.6376    9.3083   13.5030 H   0  0  0  0  0
   13.9585    9.3840   12.9441 H   0  0  0  0  0
   10.3296    5.4262   15.9977 H   0  0  0  0  0
    7.9702    5.2964   16.4554 H   0  0  0  0  0
    7.2661    8.8790   14.2847 H   0  0  0  0  0
    9.6037    9.0843   13.7714 H   0  0  0  0  0
    5.4856    7.8334   15.2659 H   0  0  0  0  0
    5.8443    6.8712   16.7394 H   0  0  0  0  0
    5.7109    5.8286   13.8234 H   0  0  0  0  0
    5.9855    4.7900   15.2718 H   0  0  0  0  0
    3.4346    6.4687   14.7701 H   0  0  0  0  0
    3.7429    5.3989   16.1610 H   0  0  0  0  0
    3.7172    3.0409   15.9157 H   0  0  0  0  0
    2.4953    3.5828   11.2201 H   0  0  0  0  0
    3.9889    0.4302   15.1850 H   0  0  0  0  0
    2.2770    0.7393   15.6777 H   0  0  0  0  0
    2.6358   -0.1063   14.1319 H   0  0  0  0  0
  1  2  1  0  0  0
  1343  1  0  0  0
  1344  1  0  0  0
  1345  1  0  0  0
  2  3  2  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  3346  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7347  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10348  1  0  0  0
 10349  1  0  0  0
 11 12  1  0  0  0
 11350  1  0  0  0
 11351  1  0  0  0
 12 13  1  0  0  0
 12352  1  0  0  0
 12353  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14354  1  0  0  0
 15 16  2  0  0  0
 15355  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17356  1  0  0  0
 18357  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20358  1  0  0  0
 21 22  2  0  0  0
 21359  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23360  1  0  0  0
 24361  1  0  0  0
 25 26  1  0  0  0
 25362  1  0  0  0
 25363  1  0  0  0
 26 31  1  0  0  0
 26 27  2  0  0  0
 27 28  1  0  0  0
 27364  1  0  0  0
 28 29  2  0  0  0
 28192  1  0  0  0
 29 30  1  0  0  0
 29365  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 31366  1  0  0  0
 32 33  1  0  0  0
 32367  1  0  0  0
 32368  1  0  0  0
 33 34  2  0  0  0
 33 38  1  0  0  0
 34 35  1  0  0  0
 34369  1  0  0  0
 35 36  2  0  0  0
 35370  1  0  0  0
 36 37  1  0  0  0
 36 39  1  0  0  0
 37 38  2  0  0  0
 37371  1  0  0  0
 38372  1  0  0  0
 39 40  2  0  0  0
 39 44  1  0  0  0
 40 41  1  0  0  0
 40373  1  0  0  0
 41 42  2  0  0  0
 41374  1  0  0  0
 42 43  1  0  0  0
 42 45  1  0  0  0
 43 44  2  0  0  0
 43375  1  0  0  0
 44376  1  0  0  0
 45 46  1  0  0  0
 45377  1  0  0  0
 45378  1  0  0  0
 46 51  1  0  0  0
 46 47  2  0  0  0
 47 48  1  0  0  0
 47379  1  0  0  0
 48 49  2  0  0  0
 48122  1  0  0  0
 49 50  1  0  0  0
 49380  1  0  0  0
 50 51  2  0  0  0
 50 52  1  0  0  0
 51381  1  0  0  0
 52 53  1  0  0  0
 52382  1  0  0  0
 52383  1  0  0  0
 53 54  2  0  0  0
 53 58  1  0  0  0
 54 55  1  0  0  0
 54384  1  0  0  0
 55 56  2  0  0  0
 55385  1  0  0  0
 56 57  1  0  0  0
 56 59  1  0  0  0
 57 58  2  0  0  0
 57386  1  0  0  0
 58387  1  0  0  0
 59 60  2  0  0  0
 59 64  1  0  0  0
 60 61  1  0  0  0
 60388  1  0  0  0
 61 62  2  0  0  0
 61389  1  0  0  0
 62 63  1  0  0  0
 62 65  1  0  0  0
 63 64  2  0  0  0
 63390  1  0  0  0
 64391  1  0  0  0
 65 66  1  0  0  0
 65392  1  0  0  0
 65393  1  0  0  0
 66 71  1  0  0  0
 66 67  2  0  0  0
 67 68  1  0  0  0
 67394  1  0  0  0
 68 69  2  0  0  0
 68 97  1  0  0  0
 69 70  1  0  0  0
 69395  1  0  0  0
 70 71  2  0  0  0
 70 72  1  0  0  0
 71396  1  0  0  0
 72 73  1  0  0  0
 72397  1  0  0  0
 72398  1  0  0  0
 73 74  2  0  0  0
 73 78  1  0  0  0
 74 75  1  0  0  0
 74399  1  0  0  0
 75 76  2  0  0  0
 75400  1  0  0  0
 76 77  1  0  0  0
 76 79  1  0  0  0
 77 78  2  0  0  0
 77401  1  0  0  0
 78402  1  0  0  0
 79 80  2  0  0  0
 79 84  1  0  0  0
 80 81  1  0  0  0
 80403  1  0  0  0
 81 82  2  0  0  0
 81404  1  0  0  0
 82 83  1  0  0  0
 82 85  1  0  0  0
 83 84  2  0  0  0
 83405  1  0  0  0
 84406  1  0  0  0
 85 86  1  0  0  0
 85407  1  0  0  0
 85408  1  0  0  0
 86 87  1  0  0  0
 86409  1  0  0  0
 86410  1  0  0  0
 87 88  1  0  0  0
 87411  1  0  0  0
 87412  1  0  0  0
 88 89  1  0  0  0
 88 94  1  0  0  0
 89 90  2  0  0  0
 89413  1  0  0  0
 90 91  1  0  0  0
 90 96  1  0  0  0
 91 93  1  0  0  0
 91 92  2  0  0  0
 93 94  1  0  0  0
 93414  1  0  0  0
 94 95  2  0  0  0
 96415  1  0  0  0
 96416  1  0  0  0
 96417  1  0  0  0
 97 98  1  0  0  0
 97418  1  0  0  0
 97419  1  0  0  0
 98 99  2  0  0  0
 98103  1  0  0  0
 99100  1  0  0  0
 99420  1  0  0  0
100101  2  0  0  0
100421  1  0  0  0
101102  1  0  0  0
101104  1  0  0  0
102103  2  0  0  0
102422  1  0  0  0
103423  1  0  0  0
104105  2  0  0  0
104109  1  0  0  0
105106  1  0  0  0
105424  1  0  0  0
106107  2  0  0  0
106425  1  0  0  0
107108  1  0  0  0
107110  1  0  0  0
108109  2  0  0  0
108426  1  0  0  0
109427  1  0  0  0
110111  1  0  0  0
110428  1  0  0  0
110429  1  0  0  0
111112  1  0  0  0
111430  1  0  0  0
111431  1  0  0  0
112113  1  0  0  0
112432  1  0  0  0
112433  1  0  0  0
113114  1  0  0  0
113119  1  0  0  0
114115  2  0  0  0
114434  1  0  0  0
115116  1  0  0  0
115121  1  0  0  0
116118  1  0  0  0
116117  2  0  0  0
118119  1  0  0  0
118435  1  0  0  0
119120  2  0  0  0
121436  1  0  0  0
121437  1  0  0  0
121438  1  0  0  0
122123  1  0  0  0
122439  1  0  0  0
122440  1  0  0  0
123124  2  0  0  0
123128  1  0  0  0
124125  1  0  0  0
124441  1  0  0  0
125126  2  0  0  0
125442  1  0  0  0
126127  1  0  0  0
126129  1  0  0  0
127128  2  0  0  0
127443  1  0  0  0
128444  1  0  0  0
129130  2  0  0  0
129134  1  0  0  0
130131  1  0  0  0
130445  1  0  0  0
131132  2  0  0  0
131446  1  0  0  0
132133  1  0  0  0
132135  1  0  0  0
133134  2  0  0  0
133447  1  0  0  0
134448  1  0  0  0
135136  1  0  0  0
135449  1  0  0  0
135450  1  0  0  0
136141  1  0  0  0
136137  2  0  0  0
137138  1  0  0  0
137451  1  0  0  0
138139  2  0  0  0
138167  1  0  0  0
139140  1  0  0  0
139452  1  0  0  0
140141  2  0  0  0
140142  1  0  0  0
141453  1  0  0  0
142143  1  0  0  0
142454  1  0  0  0
142455  1  0  0  0
143144  2  0  0  0
143148  1  0  0  0
144145  1  0  0  0
144456  1  0  0  0
145146  2  0  0  0
145457  1  0  0  0
146147  1  0  0  0
146149  1  0  0  0
147148  2  0  0  0
147458  1  0  0  0
148459  1  0  0  0
149150  2  0  0  0
149154  1  0  0  0
150151  1  0  0  0
150460  1  0  0  0
151152  2  0  0  0
151461  1  0  0  0
152153  1  0  0  0
152155  1  0  0  0
153154  2  0  0  0
153462  1  0  0  0
154463  1  0  0  0
155156  1  0  0  0
155464  1  0  0  0
155465  1  0  0  0
156157  1  0  0  0
156466  1  0  0  0
156467  1  0  0  0
157158  1  0  0  0
157468  1  0  0  0
157469  1  0  0  0
158159  1  0  0  0
158164  1  0  0  0
159160  2  0  0  0
159470  1  0  0  0
160161  1  0  0  0
160166  1  0  0  0
161163  1  0  0  0
161162  2  0  0  0
163164  1  0  0  0
163471  1  0  0  0
164165  2  0  0  0
166472  1  0  0  0
166473  1  0  0  0
166474  1  0  0  0
167168  1  0  0  0
167475  1  0  0  0
167476  1  0  0  0
168169  2  0  0  0
168173  1  0  0  0
169170  1  0  0  0
169477  1  0  0  0
170171  2  0  0  0
170478  1  0  0  0
171172  1  0  0  0
171174  1  0  0  0
172173  2  0  0  0
172479  1  0  0  0
173480  1  0  0  0
174175  2  0  0  0
174179  1  0  0  0
175176  1  0  0  0
175481  1  0  0  0
176177  2  0  0  0
176482  1  0  0  0
177178  1  0  0  0
177180  1  0  0  0
178179  2  0  0  0
178483  1  0  0  0
179484  1  0  0  0
180181  1  0  0  0
180485  1  0  0  0
180486  1  0  0  0
181182  1  0  0  0
181487  1  0  0  0
181488  1  0  0  0
182183  1  0  0  0
182489  1  0  0  0
182490  1  0  0  0
183184  1  0  0  0
183189  1  0  0  0
184185  2  0  0  0
184491  1  0  0  0
185186  1  0  0  0
185191  1  0  0  0
186188  1  0  0  0
186187  2  0  0  0
188189  1  0  0  0
188492  1  0  0  0
189190  2  0  0  0
191493  1  0  0  0
191494  1  0  0  0
191495  1  0  0  0
192193  1  0  0  0
192496  1  0  0  0
192497  1  0  0  0
193194  2  0  0  0
193198  1  0  0  0
194195  1  0  0  0
194498  1  0  0  0
195196  2  0  0  0
195499  1  0  0  0
196197  1  0  0  0
196199  1  0  0  0
197198  2  0  0  0
197500  1  0  0  0
198501  1  0  0  0
199200  2  0  0  0
199204  1  0  0  0
200201  1  0  0  0
200502  1  0  0  0
201202  2  0  0  0
201503  1  0  0  0
202203  1  0  0  0
202205  1  0  0  0
203204  2  0  0  0
203504  1  0  0  0
204505  1  0  0  0
205206  1  0  0  0
205506  1  0  0  0
205507  1  0  0  0
206207  1  0  0  0
206508  1  0  0  0
206509  1  0  0  0
207208  1  0  0  0
207510  1  0  0  0
207511  1  0  0  0
208209  1  0  0  0
208214  1  0  0  0
209210  2  0  0  0
209512  1  0  0  0
210211  1  0  0  0
210216  1  0  0  0
211213  1  0  0  0
211212  2  0  0  0
213214  1  0  0  0
213513  1  0  0  0
214215  2  0  0  0
216514  1  0  0  0
216515  1  0  0  0
216516  1  0  0  0
217218  1  0  0  0
218223  1  0  0  0
218222  1  0  0  0
218221  1  0  0  0
218220  1  0  0  0
218219  1  0  0  0
224225  1  0  0  0
225230  1  0  0  0
225229  1  0  0  0
225228  1  0  0  0
225227  1  0  0  0
225226  1  0  0  0
231232  1  0  0  0
232237  1  0  0  0
232236  1  0  0  0
232235  1  0  0  0
232234  1  0  0  0
232233  1  0  0  0
238239  1  0  0  0
239244  1  0  0  0
239243  1  0  0  0
239242  1  0  0  0
239241  1  0  0  0
239240  1  0  0  0
245246  1  0  0  0
246251  1  0  0  0
246250  1  0  0  0
246249  1  0  0  0
246248  1  0  0  0
246247  1  0  0  0
252253  1  0  0  0
253258  1  0  0  0
253257  1  0  0  0
253256  1  0  0  0
253255  1  0  0  0
253254  1  0  0  0
259260  1  0  0  0
260265  1  0  0  0
260264  1  0  0  0
260263  1  0  0  0
260262  1  0  0  0
260261  1  0  0  0
266267  1  0  0  0
267272  1  0  0  0
267271  1  0  0  0
267270  1  0  0  0
267269  1  0  0  0
267268  1  0  0  0
273274  1  0  0  0
274279  1  0  0  0
274278  1  0  0  0
274277  1  0  0  0
274276  1  0  0  0
274275  1  0  0  0
280281  1  0  0  0
281286  1  0  0  0
281285  1  0  0  0
281284  1  0  0  0
281283  1  0  0  0
281282  1  0  0  0
287288  1  0  0  0
288293  1  0  0  0
288292  1  0  0  0
288291  1  0  0  0
288290  1  0  0  0
288289  1  0  0  0
294295  1  0  0  0
295300  1  0  0  0
295299  1  0  0  0
295298  1  0  0  0
295297  1  0  0  0
295296  1  0  0  0
301302  1  0  0  0
302307  1  0  0  0
302306  1  0  0  0
302305  1  0  0  0
302304  1  0  0  0
302303  1  0  0  0
308309  1  0  0  0
309314  1  0  0  0
309313  1  0  0  0
309312  1  0  0  0
309311  1  0  0  0
309310  1  0  0  0
315316  1  0  0  0
316321  1  0  0  0
316320  1  0  0  0
316319  1  0  0  0
316318  1  0  0  0
316317  1  0  0  0
322323  1  0  0  0
323328  1  0  0  0
323327  1  0  0  0
323326  1  0  0  0
323325  1  0  0  0
323324  1  0  0  0
329330  1  0  0  0
330335  1  0  0  0
330334  1  0  0  0
330333  1  0  0  0
330332  1  0  0  0
330331  1  0  0  0
336337  1  0  0  0
337342  1  0  0  0
337341  1  0  0  0
337340  1  0  0  0
337339  1  0  0  0
337338  1  0  0  0
M  CHG  8  13   1  22   1  33   1  42   1  53   1  62   1  73   1  82   1
M  CHG  8  98   1 107   1 123   1 132   1 143   1 152   1 168   1 177   1
M  CHG  8 193   1 202   1 218  -1 225  -1 232  -1 239  -1 246  -1 253  -1
M  CHG  8 260  -1 267  -1 274  -1 281  -1 288  -1 295  -1 302  -1 309  -1
M  CHG  4 316  -1 323  -1 330  -1 337  -1
M  END

>  <Chemical Name>
CHEMBL2179458

>  <PubChem CID>
71457283

>  <Formula>
C174H174F108N30O12P18

>  <Molecular Weight>
5486.859000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
138

>  <Canonical SMILES>
CC1=CN(C(=O)NC1=O)CCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC(=CC(=C4)C[N+]5=CC=C(C=C5)C6=CC=[N+](C=C6)CC7=CC(=CC(=C7)C[N+]8=CC=C(C=C8)C9=CC=[N+](C=C9)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CCCN1C=C(C(=O)NC1=O)C)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CCCN1C=C(C(=O)NC1=O)C)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CCCN1C=C(C(=O)NC1=O)C)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CCCN1C=C(C(=O)NC1=O)C)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CCCN1C=C(C(=O)NC1=O)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

>  <Isomeric SMILES>
CC1=CN(C(=O)NC1=O)CCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC(=CC(=C4)C[N+]5=CC=C(C=C5)C6=CC=[N+](C=C6)CC7=CC(=CC(=C7)C[N+]8=CC=C(C=C8)C9=CC=[N+](C=C9)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CCCN1C=C(C(=O)NC1=O)C)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CCCN1C=C(C(=O)NC1=O)C)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CCCN1C=C(C(=O)NC1=O)C)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CCCN1C=C(C(=O)NC1=O)C)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CCCN1C=C(C(=O)NC1=O)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

>  <InChI Std. ID>
InChI=1S/C174H168N30O12.18F6P/c1-127-109-199(169(211)175-163(127)205)55-7-49-181-61-13-145(14-62-181)151-25-73-187(74-26-151)115-133-97-134(116-188-75-27-152(28-76-188)146-15-63-182(64-16-146)50-8-56-200-110-128(2)164(206)176-170(200)212)101-139(100-133)121-193-85-37-157(38-86-193)160-43-91-196(92-44-160)124-142-106-143(125-197-93-45-161(46-94-197)158-39-87-194(88-40-158)122-140-102-135(117-189-77-29-153(30-78-189)147-17-65-183(66-18-147)51-9-57-201-111-129(3)165(207)177-171(201)213)98-136(103-140)118-190-79-31-154(32-80-190)148-19-67-184(68-20-148)52-10-58-202-112-130(4)166(208)178-172(202)214)108-144(107-142)126-198-95-47-162(48-96-198)159-41-89-195(90-42-159)123-141-104-137(119-191-81-33-155(34-82-191)149-21-69-185(70-22-149)53-11-59-203-113-131(5)167(209)179-173(203)215)99-138(105-141)120-192-83-35-156(36-84-192)150-23-71-186(72-24-150)54-12-60-204-114-132(6)168(210)180-174(204)216;18*1-7(2,3,4,5)6/h13-48,61-114H,7-12,49-60,115-126H2,1-6H3;;;;;;;;;;;;;;;;;;/q+12;18*-1/p+6

>  <InChI Key>
IZRYPUTVERTOHV-UHFFFAOYSA-T

