
 CHEMBL3824232

531537  0  0  0  0  0  0  0  0999 V2000
   -9.1424  -10.2913    7.8617 C   0  0  0  0  0
   -9.9507   -9.2246    7.1407 C   0  0  0  0  0
  -11.3119   -9.0093    7.8035 C   0  0  0  0  0
  -12.1233   -7.9372    7.0652 C   0  0  0  0  0
  -13.5255   -7.7391    7.6656 C   0  0  0  0  0
  -13.4599   -7.0677    9.0499 C   0  0  0  0  0
  -13.6045   -7.7882   10.0486 O   0  0  0  0  0
  -13.1274   -5.7792    9.2981 N   0  0  0  0  0
  -13.1291   -4.5154    8.5388 C   0  0  0  0  0
  -12.3428   -4.4863    7.2225 C   0  0  0  0  0
  -12.2844   -3.1102    6.5941 C   0  0  0  0  0
  -11.3928   -2.1423    7.0730 C   0  0  0  0  0
  -11.3664   -0.8639    6.5128 C   0  0  0  0  0
  -12.2266   -0.5416    5.4655 C   0  0  0  0  0
  -13.1134   -1.4983    4.9768 C   0  0  0  0  0
  -13.1438   -2.7762    5.5380 C   0  0  0  0  0
  -14.5963   -4.0969    8.3782 C   0  0  0  0  0
  -15.2917   -4.5976    7.4880 O   0  0  0  0  0
  -15.2073   -3.2693    9.2747 N   0  0  0  0  0
  -14.6790   -2.4966   10.4079 C   0  0  0  0  0
  -13.9758   -3.3443   11.5038 C   0  0  0  0  0
  -14.1960   -2.7576   12.8956 C   0  0  0  0  0
  -14.4507   -4.6958   11.5185 O   0  0  0  0  0
  -13.7797   -1.3391    9.9306 C   0  0  0  0  0
  -12.5483   -1.4519    9.9379 O   0  0  0  0  0
  -14.2616   -0.1463    9.4970 N   0  0  0  0  0
  -15.5963    0.4258    9.2548 C   0  0  0  0  0
  -16.0379    0.3884    7.7642 C   0  0  0  0  0
  -16.2161   -1.0098    7.1848 C   0  0  0  0  0
  -17.2987    1.2597    7.5509 C   0  0  0  0  0
  -17.6295    1.5173    6.0866 C   0  0  0  0  0
  -16.6738    0.0396   10.2890 C   0  0  0  0  0
  -17.4837   -0.8656   10.0626 O   0  0  0  0  0
  -16.7090    0.5869   11.5384 N   0  0  0  0  0
  -15.9843    1.7047   12.1768 C   0  0  0  0  0
  -14.4532    1.5772   12.1031 C   0  0  0  0  0
  -13.7138    2.2634   13.2701 C   0  0  0  0  0
  -13.7427    1.3988   14.5341 C   0  0  0  0  0
  -12.2565    2.5324   12.8832 C   0  0  0  0  0
  -16.4867    3.0331   11.5710 C   0  0  0  0  0
  -16.1491    3.3948   10.4389 O   0  0  0  0  0
  -17.3976    3.8297   12.1862 N   0  0  0  0  0
  -18.0386    3.8092   13.5076 C   0  0  0  0  0
  -18.9598    2.6235   13.7476 C   0  0  0  0  0
  -19.5274    2.5271   15.1427 C   0  0  0  0  0
  -19.6463    1.4503   15.7146 O   0  0  0  0  0
  -20.0000    3.6597   15.6920 O   0  0  0  0  0
  -16.9969    4.0260   14.6148 C   0  0  0  0  0
  -16.4583    3.0662   15.1683 O   0  0  0  0  0
  -16.5511    5.2659   14.9511 N   0  0  0  0  0
  -17.0421    6.6246   14.6479 C   0  0  0  0  0
  -17.1534    6.9488   13.1515 C   0  0  0  0  0
  -17.1491    8.4275   12.8411 C   0  0  0  0  0
  -15.9383    9.1246   12.7293 C   0  0  0  0  0
  -15.9304   10.4836   12.4110 C   0  0  0  0  0
  -17.1311   11.1588   12.2036 C   0  0  0  0  0
  -18.3414   10.4789   12.3257 C   0  0  0  0  0
  -18.3522    9.1197   12.6446 C   0  0  0  0  0
  -18.3833    6.8031   15.3858 C   0  0  0  0  0
  -19.3715    6.1237   15.0693 O   0  0  0  0  0
  -18.5193    7.6356   16.4510 N   0  0  0  0  0
  -17.5249    8.3729   17.2539 C   0  0  0  0  0
  -16.5759    7.4091   17.9898 C   0  0  0  0  0
  -15.7958    8.0544   19.1560 C   0  0  0  0  0
  -16.7034    8.4131   20.3348 C   0  0  0  0  0
  -14.6983    7.0988   19.6336 C   0  0  0  0  0
  -16.7943    9.4186   16.3911 C   0  0  0  0  0
  -15.5922    9.3101   16.1285 O   0  0  0  0  0
  -17.4602   10.4565   15.8157 N   0  0  0  0  0
  -18.6681   11.1818   16.2207 C   0  0  0  0  0
  -19.9433   10.3730   16.3930 C   0  0  0  0  0
  -18.3161   11.9737   17.4871 C   0  0  0  0  0
  -18.2658   11.4187   18.5900 O   0  0  0  0  0
  -17.9112   13.2712   17.4309 N   0  0  0  0  0
  -17.9394   14.2668   16.3537 C   0  0  0  0  0
  -17.1250   13.9008   15.1190 C   0  0  0  0  0
  -19.4060   14.6092   16.0326 C   0  0  0  0  0
  -20.0662   13.9258   15.2429 O   0  0  0  0  0
  -20.0831   15.5780   16.7117 N   0  0  0  0  0
  -19.6150   16.6917   17.5538 C   0  0  0  0  0
  -18.8467   16.2408   18.8046 C   0  0  0  0  0
  -18.9351   17.2753   19.9322 C   0  0  0  0  0
  -18.2392   16.7820   21.2006 C   0  0  0  0  0
  -18.4216   17.7360   22.2759 N   0  0  0  0  0
  -19.4931   17.7785   23.0961 C   0  0  0  0  0
  -20.6058   17.1531   23.0013 N   0  0  0  0  0
  -19.2973   18.6259   24.1231 N   0  0  0  0  0
  -18.8332   17.6428   16.6282 C   0  0  0  0  0
  -17.6259   17.4847   16.4199 O   0  0  0  0  0
  -19.4730   18.5595   15.8402 N   0  0  0  0  0
  -20.6879   19.3613   16.1120 C   0  0  0  0  0
  -21.9714   18.5781   16.3604 C   0  0  0  0  0
  -23.1374   19.3143   15.7615 C   0  0  0  0  0
  -23.1932   19.7811   14.6351 O   0  0  0  0  0
  -24.1928   19.3753   16.5926 O   0  0  0  0  0
  -20.2904   20.2562   17.2953 C   0  0  0  0  0
  -20.2651   19.7972   18.4422 O   0  0  0  0  0
  -19.7132   21.4812   17.1116 N   0  0  0  0  0
  -20.0279   22.5482   16.1270 C   0  0  0  0  0
  -19.8795   22.1235   14.6539 C   0  0  0  0  0
  -19.3373   23.1497   13.6865 C   0  0  0  0  0
  -18.0391   23.6579   13.8337 C   0  0  0  0  0
  -17.5117   24.5430   12.8911 C   0  0  0  0  0
  -18.2691   24.9181   11.7845 C   0  0  0  0  0
  -19.5583   24.4153   11.6223 C   0  0  0  0  0
  -20.0885   23.5319   12.5647 C   0  0  0  0  0
  -21.4640   23.0041   16.4602 C   0  0  0  0  0
  -22.3918   22.1840   16.4554 O   0  0  0  0  0
  -21.7995   24.2805   16.7743 N   0  0  0  0  0
  -21.0333   25.5039   17.0740 C   0  0  0  0  0
  -20.5846   25.6173   18.5570 C   0  0  0  0  0
  -19.6486   24.5078   19.0296 C   0  0  0  0  0
  -20.0057   27.0232   18.8428 C   0  0  0  0  0
  -19.8956   27.3507   20.3265 C   0  0  0  0  0
  -19.9768   25.8232   16.0014 C   0  0  0  0  0
  -18.7701   25.7104   16.2319 O   0  0  0  0  0
  -20.3410   26.1514   14.7297 N   0  0  0  0  0
  -21.5953   26.6799   14.1505 C   0  0  0  0  0
  -22.8432   25.8461   14.4213 C   0  0  0  0  0
  -23.9225   26.0997   13.3946 C   0  0  0  0  0
  -24.3163   27.2131   13.0716 O   0  0  0  0  0
  -24.5098   24.9807   12.8819 N   0  0  0  0  0
  -21.7069   28.1329   14.6445 C   0  0  0  0  0
  -22.1038   28.3859   15.7869 O   0  0  0  0  0
  -21.2194   29.1722   13.9048 N   0  0  0  0  0
  -20.7781   29.2401   12.4936 C   0  0  0  0  0
  -19.4822   28.4645   12.2160 C   0  0  0  0  0
  -18.7554   28.9662   11.0038 C   0  0  0  0  0
  -19.0977   28.7168    9.6889 C   0  0  0  0  0
  -18.2219   29.3855    8.8797 N   0  0  0  0  0
  -17.2815   30.0412    9.6379 C   0  0  0  0  0
  -16.1975   30.8322    9.2394 C   0  0  0  0  0
  -15.4004   31.3906   10.2419 C   0  0  0  0  0
  -15.6806   31.1674   11.5875 C   0  0  0  0  0
  -16.7712   30.3766   11.9684 C   0  0  0  0  0
  -17.5903   29.7983   10.9769 C   0  0  0  0  0
  -21.9623   28.7811   11.6297 C   0  0  0  0  0
  -21.9626   27.7012   11.0293 O   0  0  0  0  0
  -23.1471   29.4604   11.6924 N   0  0  0  0  0
  -23.3972   30.8821   11.3883 C   0  0  0  0  0
  -22.7112   31.8674   12.3492 C   0  0  0  0  0
  -23.3605   33.2663   12.3946 C   0  0  0  0  0
  -24.6854   33.2551   13.1619 C   0  0  0  0  0
  -22.4061   34.2662   13.0553 C   0  0  0  0  0
  -22.9644   31.0784    9.9218 C   0  0  0  0  0
  -21.7825   31.2995    9.6331 O   0  0  0  0  0
  -23.8042   30.8395    8.8745 N   0  0  0  0  0
  -25.2735   30.8236    8.7614 C   0  0  0  0  0
  -26.0021   29.6865    9.5331 C   0  0  0  0  0
  -27.2276   30.1531   10.3254 C   0  0  0  0  0
  -26.3783   28.5321    8.5708 C   0  0  0  0  0
  -26.7328   27.2289    9.2769 C   0  0  0  0  0
  -25.7847   32.2624    8.9918 C   0  0  0  0  0
  -25.5594   32.8618   10.0458 O   0  0  0  0  0
  -26.4909   32.9365    8.0423 N   0  0  0  0  0
  -26.6762   32.6779    6.6085 C   0  0  0  0  0
  -25.3496   32.6897    5.8400 C   0  0  0  0  0
  -25.5734   32.8766    4.3389 C   0  0  0  0  0
  -24.2986   32.6149    3.5776 C   0  0  0  0  0
  -23.5579   33.5026    3.1749 O   0  0  0  0  0
  -23.9954   31.2971    3.4061 N   0  0  0  0  0
  -27.4903   31.3889    6.4059 C   0  0  0  0  0
  -26.9909   30.3744    5.9111 O   0  0  0  0  0
  -28.7801   31.2996    6.8592 N   0  0  0  0  0
  -29.8639   32.2738    6.5910 C   0  0  0  0  0
  -29.7765   33.6701    7.2521 C   0  0  0  0  0
  -29.7411   34.8778    6.3205 C   0  0  0  0  0
  -30.9092   33.8516    8.1258 O   0  0  0  0  0
  -30.0414   32.2565    5.0645 C   0  0  0  0  0
  -29.1312   32.6421    4.3209 O   0  0  0  0  0
  -31.1178   31.6784    4.4660 N   0  0  0  0  0
  -32.4789   31.3642    4.9463 C   0  0  0  0  0
  -32.5025   30.3674    6.1161 C   0  0  0  0  0
  -33.6688   29.3763    6.0446 C   0  0  0  0  0
  -33.5850   28.3499    7.1800 C   0  0  0  0  0
  -34.7172   27.3273    7.0938 C   0  0  0  0  0
  -34.6195   26.3461    8.1672 N   0  0  0  0  0
  -33.1508   32.7131    5.2745 C   0  0  0  0  0
  -32.7244   33.4091    6.2068 O   0  0  0  0  0
  -34.1658   33.2510    4.5516 N   0  0  0  0  0
  -34.9812   32.7971    3.4129 C   0  0  0  0  0
  -34.3760   33.0481    2.0031 C   0  0  0  0  0
  -32.9913   32.4587    1.7683 C   0  0  0  0  0
  -35.3679   32.6212    0.8959 C   0  0  0  0  0
  -34.9987   33.1287   -0.4929 C   0  0  0  0  0
  -35.6054   31.4145    3.6831 C   0  0  0  0  0
  -35.0930   30.3796    3.2495 O   0  0  0  0  0
  -36.6781   31.2663    4.5141 N   0  0  0  0  0
  -37.6740   32.2264    5.0490 C   0  0  0  0  0
  -37.1098   33.3047    6.0122 C   0  0  0  0  0
  -37.2997   34.7652    5.6239 C   0  0  0  0  0
  -37.7464   33.1325    7.2915 O   0  0  0  0  0
  -38.5434   32.7113    3.8698 C   0  0  0  0  0
  -38.1550   33.5861    3.0907 O   0  0  0  0  0
  -39.7104   32.0843    3.5388 N   0  0  0  0  0
  -40.4758   31.0118    4.2036 C   0  0  0  0  0
  -39.7158   29.7067    4.3972 C   0  0  0  0  0
  -40.6813   28.5577    4.4035 C   0  0  0  0  0
  -41.1868   28.0320    5.3776 O   0  0  0  0  0
  -40.9846   28.1317    3.1632 O   0  0  0  0  0
  -41.0914   31.5603    5.5026 C   0  0  0  0  0
  -40.9701   31.0291    6.5987 O   0  0  0  0  0
  -41.8671   32.6760    5.3520 N   0  0  0  0  0
  -14.4453   -7.1211    6.7125 N   0  0  0  0  0
  -15.2352   -7.6677    5.7480 C   0  0  0  0  0
  -15.7873   -6.9050    4.9477 O   0  0  0  0  0
  -15.5920   -9.1729    5.7127 C   0  0  0  0  0
  -14.4127  -10.1399    5.6269 C   0  0  0  0  0
  -14.8330  -11.5190    5.1094 C   0  0  0  0  0
  -13.6491  -12.4435    5.0165 C   0  0  0  0  0
  -12.4951  -12.1915    5.3163 O   0  0  0  0  0
  -13.9935  -13.6529    4.5384 O   0  0  0  0  0
  -16.4573   -9.4204    6.8688 N   0  0  0  0  0
  -17.7933   -9.1487    6.9763 C   0  0  0  0  0
  -18.2270   -8.8387    8.0891 O   0  0  0  0  0
  -18.7695   -9.3210    5.7969 C   0  0  0  0  0
  -18.6780   -8.2706    4.7010 C   0  0  0  0  0
  -19.9012   -8.3665    3.8399 C   0  0  0  0  0
  -19.9607   -8.9127    2.7501 O   0  0  0  0  0
  -21.0091   -7.9028    4.4500 O   0  0  0  0  0
  -18.6239  -10.6927    5.2997 N   0  0  0  0  0
  -19.3199  -11.7965    5.6965 C   0  0  0  0  0
  -18.7090  -12.8683    5.6977 O   0  0  0  0  0
  -20.7868  -11.7327    6.1739 C   0  0  0  0  0
  -20.8461  -11.4760    7.6840 C   0  0  0  0  0
  -22.1574  -11.7648    8.1723 O   0  0  0  0  0
  -21.6160  -10.7679    5.4315 N   0  0  0  0  0
  -22.2654  -10.8747    4.2401 C   0  0  0  0  0
  -22.7839   -9.8362    3.8054 O   0  0  0  0  0
  -22.4617  -12.2105    3.4927 C   0  0  0  0  0
  -21.1608  -12.9475    3.1534 C   0  0  0  0  0
  -21.3710  -14.0274    2.1164 C   0  0  0  0  0
  -21.2616  -13.7374    0.7510 C   0  0  0  0  0
  -21.4905  -14.7342   -0.1986 C   0  0  0  0  0
  -21.8240  -16.0261    0.2055 C   0  0  0  0  0
  -21.9330  -16.3246    1.5612 C   0  0  0  0  0
  -21.7107  -15.3297    2.5125 C   0  0  0  0  0
  -23.3982  -13.0253    4.2722 N   0  0  0  0  0
  -24.7408  -13.1930    4.1346 C   0  0  0  0  0
  -25.3541  -13.5662    5.1397 O   0  0  0  0  0
  -25.5101  -12.8647    2.8446 C   0  0  0  0  0
  -25.7305  -11.3529    2.6984 C   0  0  0  0  0
  -26.8266  -11.1064    1.8126 O   0  0  0  0  0
  -24.9202  -13.4561    1.6372 N   0  0  0  0  0
  -25.5875  -13.8987    0.5306 C   0  0  0  0  0
  -24.9606  -14.0560   -0.5176 O   0  0  0  0  0
  -27.0713  -14.2611    0.6633 C   0  0  0  0  0
  -27.5775  -14.9236   -0.5323 N   0  0  0  0  0
  -27.5462  -16.2360   -0.8915 C   0  0  0  0  0
  -27.9685  -16.5358   -2.0120 O   0  0  0  0  0
  -27.0088  -17.3347    0.0467 C   0  0  0  0  0
  -25.5064  -17.1900    0.2533 C   0  0  0  0  0
  -24.8791  -18.5331    0.4636 C   0  0  0  0  0
  -24.5452  -19.0040    1.5346 O   0  0  0  0  0
  -24.7151  -19.2235   -0.6788 O   0  0  0  0  0
  -27.7545  -17.3635    1.3063 N   0  0  0  0  0
  -29.0018  -17.8670    1.5364 C   0  0  0  0  0
  -29.4238  -17.8417    2.6940 O   0  0  0  0  0
  -29.8581  -18.3797    0.3687 C   0  0  0  0  0
  -30.6312  -19.5329    0.7953 N   0  0  0  0  0
  -31.9046  -19.6452    1.2571 C   0  0  0  0  0
  -32.2202  -20.7360    1.7475 O   0  0  0  0  0
  -32.9317  -18.4997    1.1866 C   0  0  0  0  0
  -32.5861  -17.3437    2.1400 C   0  0  0  0  0
  -33.7538  -16.4442    2.3881 C   0  0  0  0  0
  -34.8217  -16.5479    3.2543 C   0  0  0  0  0
  -35.6632  -15.4744    3.1227 N   0  0  0  0  0
  -35.1173  -14.7150    2.2026 C   0  0  0  0  0
  -33.9542  -15.2547    1.7330 N   0  0  0  0  0
  -33.1693  -18.0795   -0.2160 N   0  0  0  0  0
   -8.1728  -10.4271    7.3726 H   0  0  0  0  0
   -9.6655  -11.2529    7.8518 H   0  0  0  0  0
   -8.9609  -10.0088    8.9036 H   0  0  0  0  0
  -10.0886   -9.5242    6.0953 H   0  0  0  0  0
   -9.3854   -8.2853    7.1377 H   0  0  0  0  0
  -11.1635   -8.7113    8.8479 H   0  0  0  0  0
  -11.8658   -9.9552    7.8122 H   0  0  0  0  0
  -12.2061   -8.2201    6.0095 H   0  0  0  0  0
  -11.5531   -7.0068    7.0852 H   0  0  0  0  0
  -13.9442   -8.7239    7.8789 H   0  0  0  0  0
  -13.2569   -5.6234   10.3007 H   0  0  0  0  0
  -12.6323   -3.8088    9.2024 H   0  0  0  0  0
  -12.7470   -5.1765    6.4804 H   0  0  0  0  0
  -11.3130   -4.8172    7.4085 H   0  0  0  0  0
  -10.7224   -2.3690    7.9001 H   0  0  0  0  0
  -10.6744   -0.1200    6.8991 H   0  0  0  0  0
  -12.2048    0.4532    5.0292 H   0  0  0  0  0
  -13.7876   -1.2502    4.1612 H   0  0  0  0  0
  -13.8545   -3.5056    5.1514 H   0  0  0  0  0
  -16.1844   -3.1093    9.0495 H   0  0  0  0  0
  -15.5635   -2.0752   10.8820 H   0  0  0  0  0
  -12.8963   -3.4045   11.3387 H   0  0  0  0  0
  -15.2610   -2.7434   13.1528 H   0  0  0  0  0
  -13.8021   -1.7404   12.9672 H   0  0  0  0  0
  -13.7017   -3.3768   13.6521 H   0  0  0  0  0
  -15.4248   -4.6768   11.4678 H   0  0  0  0  0
  -13.4985    0.4343    9.1672 H   0  0  0  0  0
  -15.4087    1.4866    9.4236 H   0  0  0  0  0
  -15.2235    0.8542    7.1898 H   0  0  0  0  0
  -17.0410   -1.5497    7.6558 H   0  0  0  0  0
  -15.2973   -1.5849    7.2962 H   0  0  0  0  0
  -16.4206   -0.9718    6.1103 H   0  0  0  0  0
  -17.1504    2.2327    8.0345 H   0  0  0  0  0
  -18.1696    0.7977    8.0301 H   0  0  0  0  0
  -16.7679    1.9331    5.5552 H   0  0  0  0  0
  -18.4523    2.2357    6.0108 H   0  0  0  0  0
  -17.9462    0.6026    5.5776 H   0  0  0  0  0
  -17.4707    0.1959   12.0818 H   0  0  0  0  0
  -16.2838    1.6460   13.2207 H   0  0  0  0  0
  -14.0910    2.0117   11.1653 H   0  0  0  0  0
  -14.1703    0.5192   12.0993 H   0  0  0  0  0
  -14.1873    3.2284   13.4848 H   0  0  0  0  0
  -13.1914    0.4634   14.3865 H   0  0  0  0  0
  -14.7622    1.1359   14.8270 H   0  0  0  0  0
  -13.2807    1.9296   15.3735 H   0  0  0  0  0
  -11.7333    1.6029   12.6329 H   0  0  0  0  0
  -11.7178    3.0149   13.7056 H   0  0  0  0  0
  -12.2011    3.1967   12.0144 H   0  0  0  0  0
  -17.6379    4.6082   11.5820 H   0  0  0  0  0
  -18.6932    4.6754   13.4767 H   0  0  0  0  0
  -18.4302    1.6845   13.5670 H   0  0  0  0  0
  -19.7994    2.6451   13.0428 H   0  0  0  0  0
  -19.9220    4.5261   15.2284 H   0  0  0  0  0
  -15.8591    5.2123   15.6922 H   0  0  0  0  0
  -16.2815    7.2698   15.0786 H   0  0  0  0  0
  -18.0646    6.5286   12.7154 H   0  0  0  0  0
  -16.3183    6.4869   12.6087 H   0  0  0  0  0
  -14.9896    8.6149   12.8870 H   0  0  0  0  0
  -14.9847   11.0124   12.3199 H   0  0  0  0  0
  -17.1244   12.2148   11.9455 H   0  0  0  0  0
  -19.2783   11.0078   12.1671 H   0  0  0  0  0
  -19.3082    8.6069   12.7271 H   0  0  0  0  0
  -19.4394    7.5651   16.8704 H   0  0  0  0  0
  -18.1075    8.9114   18.0022 H   0  0  0  0  0
  -15.8555    6.9860   17.2811 H   0  0  0  0  0
  -17.1522    6.5581   18.3776 H   0  0  0  0  0
  -15.3082    8.9718   18.8059 H   0  0  0  0  0
  -17.2519    7.5361   20.6948 H   0  0  0  0  0
  -17.4321    9.1814   20.0643 H   0  0  0  0  0
  -16.1149    8.8079   21.1702 H   0  0  0  0  0
  -15.1223    6.1575   19.9995 H   0  0  0  0  0
  -14.1172    7.5479   20.4461 H   0  0  0  0  0
  -14.0042    6.8652   18.8194 H   0  0  0  0  0
  -16.8233   10.9931   15.2376 H   0  0  0  0  0
  -18.8668   11.8583   15.3949 H   0  0  0  0  0
  -19.9613    9.7883   17.3150 H   0  0  0  0  0
  -20.1077    9.7062   15.5412 H   0  0  0  0  0
  -20.8031   11.0508   16.4541 H   0  0  0  0  0
  -17.6702   13.6176   18.3511 H   0  0  0  0  0
  -17.4430   15.1376   16.7733 H   0  0  0  0  0
  -17.6211   13.1820   14.4662 H   0  0  0  0  0
  -16.1467   13.4958   15.3974 H   0  0  0  0  0
  -16.9592   14.7956   14.5078 H   0  0  0  0  0
  -21.0418   15.6357   16.3905 H   0  0  0  0  0
  -20.5251   17.1790   17.8974 H   0  0  0  0  0
  -17.7882   16.0651   18.5939 H   0  0  0  0  0
  -19.2693   15.2958   19.1680 H   0  0  0  0  0
  -19.9880   17.4954   20.1449 H   0  0  0  0  0
  -18.4724   18.2158   19.6097 H   0  0  0  0  0
  -17.1663   16.6745   21.0031 H   0  0  0  0  0
  -18.6059   15.7926   21.4976 H   0  0  0  0  0
  -17.5613   17.9636   22.7634 H   0  0  0  0  0
  -20.5990   16.5659   22.1688 H   0  0  0  0  0
  -18.9689   19.5321   23.8153 H   0  0  0  0  0
  -20.1691   18.7263   24.6353 H   0  0  0  0  0
  -18.7819   19.0417   15.2748 H   0  0  0  0  0
  -20.8127   19.9507   15.2123 H   0  0  0  0  0
  -22.1688   18.4324   17.4269 H   0  0  0  0  0
  -21.9511   17.5984   15.8738 H   0  0  0  0  0
  -24.8519   19.9239   16.1181 H   0  0  0  0  0
  -19.4185   21.8377   18.0135 H   0  0  0  0  0
  -19.3173   23.3351   16.3677 H   0  0  0  0  0
  -20.8469   21.7802   14.2679 H   0  0  0  0  0
  -19.1889   21.2738   14.5813 H   0  0  0  0  0
  -17.4222   23.3697   14.6827 H   0  0  0  0  0
  -16.5055   24.9353   13.0188 H   0  0  0  0  0
  -17.8559   25.6046   11.0484 H   0  0  0  0  0
  -20.1488   24.7107   10.7575 H   0  0  0  0  0
  -21.0880   23.1339   12.4037 H   0  0  0  0  0
  -22.7777   24.3316   17.0364 H   0  0  0  0  0
  -21.7852   26.2921   16.9746 H   0  0  0  0  0
  -21.4989   25.5193   19.1609 H   0  0  0  0  0
  -18.7266   24.4637   18.4449 H   0  0  0  0  0
  -20.1526   23.5411   18.9748 H   0  0  0  0  0
  -19.3676   24.6395   20.0786 H   0  0  0  0  0
  -20.6524   27.7809   18.3833 H   0  0  0  0  0
  -19.0157   27.1324   18.3862 H   0  0  0  0  0
  -20.8566   27.2146   20.8322 H   0  0  0  0  0
  -19.5911   28.3944   20.4562 H   0  0  0  0  0
  -19.1480   26.7273   20.8244 H   0  0  0  0  0
  -19.5185   26.2667   14.1462 H   0  0  0  0  0
  -21.4200   26.6558   13.0795 H   0  0  0  0  0
  -23.2951   26.0586   15.3942 H   0  0  0  0  0
  -22.5843   24.7831   14.3812 H   0  0  0  0  0
  -24.2300   24.0382   13.1175 H   0  0  0  0  0
  -25.2415   25.1061   12.1941 H   0  0  0  0  0
  -21.3442   30.0604   14.3742 H   0  0  0  0  0
  -20.5808   30.2936   12.2940 H   0  0  0  0  0
  -19.6759   27.3994   12.0738 H   0  0  0  0  0
  -18.8186   28.5377   13.0866 H   0  0  0  0  0
  -19.9118   28.1445    9.2613 H   0  0  0  0  0
  -18.2612   29.4062    7.8703 H   0  0  0  0  0
  -15.9813   31.0122    8.1915 H   0  0  0  0  0
  -14.5513   32.0112    9.9652 H   0  0  0  0  0
  -15.0487   31.6132   12.3516 H   0  0  0  0  0
  -16.9782   30.2137   13.0216 H   0  0  0  0  0
  -23.8640   28.8348   11.3491 H   0  0  0  0  0
  -24.4777   30.9978   11.4713 H   0  0  0  0  0
  -21.6642   32.0009   12.0602 H   0  0  0  0  0
  -22.7169   31.4564   13.3648 H   0  0  0  0  0
  -23.5398   33.6142   11.3716 H   0  0  0  0  0
  -24.5358   32.9527   14.2043 H   0  0  0  0  0
  -25.4109   32.5689   12.7176 H   0  0  0  0  0
  -25.1371   34.2531   13.1647 H   0  0  0  0  0
  -22.1646   33.9683   14.0812 H   0  0  0  0  0
  -22.8514   35.2663   13.0868 H   0  0  0  0  0
  -21.4690   34.3385   12.4930 H   0  0  0  0  0
  -23.3078   30.9948    8.0045 H   0  0  0  0  0
  -25.4012   30.6051    7.7047 H   0  0  0  0  0
  -25.3158   29.2500   10.2511 H   0  0  0  0  0
  -27.9948   30.5750    9.6694 H   0  0  0  0  0
  -26.9532   30.9054   11.0711 H   0  0  0  0  0
  -27.6809   29.3257   10.8800 H   0  0  0  0  0
  -25.5355   28.3259    7.8995 H   0  0  0  0  0
  -27.2266   28.8274    7.9451 H   0  0  0  0  0
  -25.9157   26.8981    9.9255 H   0  0  0  0  0
  -26.9149   26.4428    8.5364 H   0  0  0  0  0
  -27.6394   27.3265    9.8800 H   0  0  0  0  0
  -26.6846   33.8823    8.3538 H   0  0  0  0  0
  -27.2708   33.5129    6.2373 H   0  0  0  0  0
  -24.7776   31.7740    6.0208 H   0  0  0  0  0
  -24.7176   33.5111    6.2030 H   0  0  0  0  0
  -25.9108   33.8964    4.1214 H   0  0  0  0  0
  -26.3442   32.1976    3.9580 H   0  0  0  0  0
  -24.6453   30.5557    3.6349 H   0  0  0  0  0
  -23.1691   31.0711    2.8681 H   0  0  0  0  0
  -29.0913   30.3456    6.7147 H   0  0  0  0  0
  -30.7150   31.7803    7.0507 H   0  0  0  0  0
  -28.9198   33.7148    7.9239 H   0  0  0  0  0
  -30.6386   34.9318    5.6961 H   0  0  0  0  0
  -28.8642   34.8805    5.6700 H   0  0  0  0  0
  -29.7262   35.8024    6.9090 H   0  0  0  0  0
  -31.7132   33.8600    7.5591 H   0  0  0  0  0
  -30.9984   31.6728    3.4599 H   0  0  0  0  0
  -32.9566   30.9060    4.0853 H   0  0  0  0  0
  -32.5766   30.8916    7.0757 H   0  0  0  0  0
  -31.5703   29.7884    6.1250 H   0  0  0  0  0
  -33.6493   28.8519    5.0821 H   0  0  0  0  0
  -34.6180   29.9182    6.1114 H   0  0  0  0  0
  -33.6249   28.8694    8.1458 H   0  0  0  0  0
  -32.6181   27.8327    7.1331 H   0  0  0  0  0
  -34.6829   26.8040    6.1322 H   0  0  0  0  0
  -35.6882   27.8300    7.1577 H   0  0  0  0  0
  -33.7157   25.8764    8.1283 H   0  0  0  0  0
  -34.6543   26.8157    9.0716 H   0  0  0  0  0
  -34.3615   34.1956    4.8635 H   0  0  0  0  0
  -35.8211   33.4918    3.4417 H   0  0  0  0  0
  -34.2512   34.1379    1.9188 H   0  0  0  0  0
  -32.9789   31.3732    1.8919 H   0  0  0  0  0
  -32.2741   32.9208    2.4480 H   0  0  0  0  0
  -32.6214   32.6778    0.7624 H   0  0  0  0  0
  -36.3643   33.0093    1.1359 H   0  0  0  0  0
  -35.4518   31.5291    0.8575 H   0  0  0  0  0
  -34.8367   34.2110   -0.4876 H   0  0  0  0  0
  -35.8082   32.9111   -1.1973 H   0  0  0  0  0
  -34.0966   32.6428   -0.8752 H   0  0  0  0  0
  -36.9216   30.2884    4.6164 H   0  0  0  0  0
  -38.3106   31.5955    5.6723 H   0  0  0  0  0
  -36.0533   33.1100    6.2063 H   0  0  0  0  0
  -36.7831   35.0248    4.6980 H   0  0  0  0  0
  -36.9069   35.4188    6.4117 H   0  0  0  0  0
  -38.3619   35.0136    5.5258 H   0  0  0  0  0
  -37.3043   33.7179    7.9327 H   0  0  0  0  0
  -40.1179   32.4745    2.6962 H   0  0  0  0  0
  -41.3240   30.8312    3.5287 H   0  0  0  0  0
  -39.1517   29.6619    5.3336 H   0  0  0  0  0
  -38.9957   29.5380    3.5875 H   0  0  0  0  0
  -41.5851   27.3695    3.3180 H   0  0  0  0  0
  -41.9833   33.1578    4.4719 H   0  0  0  0  0
  -42.3056   33.0597    6.1804 H   0  0  0  0  0
  -14.5563   -6.1076    6.7366 H   0  0  0  0  0
  -16.1759   -9.3147    4.8023 H   0  0  0  0  0
  -13.9391  -10.2859    6.6001 H   0  0  0  0  0
  -13.6502   -9.7272    4.9553 H   0  0  0  0  0
  -15.2743  -11.4259    4.1111 H   0  0  0  0  0
  -15.5653  -11.9688    5.7883 H   0  0  0  0  0
  -13.1591  -14.1675    4.5371 H   0  0  0  0  0
  -16.0202   -9.2562    7.7715 H   0  0  0  0  0
  -19.7507   -9.2337    6.2652 H   0  0  0  0  0
  -17.8207   -8.4060    4.0384 H   0  0  0  0  0
  -18.6122   -7.2579    5.1132 H   0  0  0  0  0
  -21.7552   -8.1884    3.8628 H   0  0  0  0  0
  -17.6812  -10.9613    5.0432 H   0  0  0  0  0
  -21.2196  -12.7191    5.9895 H   0  0  0  0  0
  -20.6094  -10.4412    7.9461 H   0  0  0  0  0
  -20.1446  -12.1255    8.2174 H   0  0  0  0  0
  -22.7726  -11.1197    7.7809 H   0  0  0  0  0
  -21.6182   -9.8098    5.7660 H   0  0  0  0  0
  -22.9395  -11.9283    2.5518 H   0  0  0  0  0
  -20.7290  -13.4295    4.0333 H   0  0  0  0  0
  -20.4060  -12.2386    2.7903 H   0  0  0  0  0
  -20.9983  -12.7372    0.4132 H   0  0  0  0  0
  -21.4133  -14.5030   -1.2584 H   0  0  0  0  0
  -21.9979  -16.7981   -0.5393 H   0  0  0  0  0
  -22.1891  -17.3323    1.8809 H   0  0  0  0  0
  -21.8019  -15.5819    3.5674 H   0  0  0  0  0
  -23.1109  -13.2785    5.2118 H   0  0  0  0  0
  -26.4943  -13.3305    2.9699 H   0  0  0  0  0
  -24.8530  -10.8522    2.2813 H   0  0  0  0  0
  -25.9702  -10.8956    3.6639 H   0  0  0  0  0
  -26.9057  -10.1385    1.7280 H   0  0  0  0  0
  -23.9333  -13.3261    1.4536 H   0  0  0  0  0
  -27.6553  -13.3460    0.7839 H   0  0  0  0  0
  -27.2140  -14.9056    1.5302 H   0  0  0  0  0
  -27.8166  -14.3184   -1.3096 H   0  0  0  0  0
  -27.2075  -18.2873   -0.4578 H   0  0  0  0  0
  -25.2629  -16.5721    1.1237 H   0  0  0  0  0
  -25.0152  -16.7338   -0.6139 H   0  0  0  0  0
  -24.2950  -20.0666   -0.4033 H   0  0  0  0  0
  -27.2826  -17.0993    2.1657 H   0  0  0  0  0
  -29.2440  -18.7237   -0.4631 H   0  0  0  0  0
  -30.4950  -17.5654    0.0277 H   0  0  0  0  0
  -30.1091  -20.3803    0.9831 H   0  0  0  0  0
  -33.8753  -18.9529    1.5224 H   0  0  0  0  0
  -31.7549  -16.7472    1.7489 H   0  0  0  0  0
  -32.2456  -17.7491    3.1014 H   0  0  0  0  0
  -35.0301  -17.3411    3.9618 H   0  0  0  0  0
  -35.5116  -13.7746    1.8418 H   0  0  0  0  0
  -33.3570  -14.8435    1.0295 H   0  0  0  0  0
  -32.4627  -17.4179   -0.5173 H   0  0  0  0  0
  -34.0618  -17.5862   -0.2468 H   0  0  0  0  0
  1  2  1  0  0  0
  1271  1  0  0  0
  1272  1  0  0  0
  1273  1  0  0  0
  2  3  1  0  0  0
  2274  1  0  0  0
  2275  1  0  0  0
  3  4  1  0  0  0
  3276  1  0  0  0
  3277  1  0  0  0
  4  5  1  0  0  0
  4278  1  0  0  0
  4279  1  0  0  0
  5204  1  0  0  0
  5  6  1  0  0  0
  5280  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8281  1  0  0  0
  9 17  1  0  0  0
  9 10  1  0  0  0
  9282  1  0  0  0
 10 11  1  0  0  0
 10283  1  0  0  0
 10284  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12285  1  0  0  0
 13 14  2  0  0  0
 13286  1  0  0  0
 14 15  1  0  0  0
 14287  1  0  0  0
 15 16  2  0  0  0
 15288  1  0  0  0
 16289  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19290  1  0  0  0
 20 24  1  0  0  0
 20 21  1  0  0  0
 20291  1  0  0  0
 21 23  1  0  0  0
 21 22  1  0  0  0
 21292  1  0  0  0
 22293  1  0  0  0
 22294  1  0  0  0
 22295  1  0  0  0
 23296  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26297  1  0  0  0
 27 32  1  0  0  0
 27 28  1  0  0  0
 27298  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 28299  1  0  0  0
 29300  1  0  0  0
 29301  1  0  0  0
 29302  1  0  0  0
 30 31  1  0  0  0
 30303  1  0  0  0
 30304  1  0  0  0
 31305  1  0  0  0
 31306  1  0  0  0
 31307  1  0  0  0
 32 34  1  0  0  0
 32 33  2  0  0  0
 34 35  1  0  0  0
 34308  1  0  0  0
 35 40  1  0  0  0
 35 36  1  0  0  0
 35309  1  0  0  0
 36 37  1  0  0  0
 36310  1  0  0  0
 36311  1  0  0  0
 37 39  1  0  0  0
 37 38  1  0  0  0
 37312  1  0  0  0
 38313  1  0  0  0
 38314  1  0  0  0
 38315  1  0  0  0
 39316  1  0  0  0
 39317  1  0  0  0
 39318  1  0  0  0
 40 42  1  0  0  0
 40 41  2  0  0  0
 42 43  1  0  0  0
 42319  1  0  0  0
 43 48  1  0  0  0
 43 44  1  0  0  0
 43320  1  0  0  0
 44 45  1  0  0  0
 44321  1  0  0  0
 44322  1  0  0  0
 45 47  1  0  0  0
 45 46  2  0  0  0
 47323  1  0  0  0
 48 50  1  0  0  0
 48 49  2  0  0  0
 50 51  1  0  0  0
 50324  1  0  0  0
 51 59  1  0  0  0
 51 52  1  0  0  0
 51325  1  0  0  0
 52 53  1  0  0  0
 52326  1  0  0  0
 52327  1  0  0  0
 53 54  2  0  0  0
 53 58  1  0  0  0
 54 55  1  0  0  0
 54328  1  0  0  0
 55 56  2  0  0  0
 55329  1  0  0  0
 56 57  1  0  0  0
 56330  1  0  0  0
 57 58  2  0  0  0
 57331  1  0  0  0
 58332  1  0  0  0
 59 61  1  0  0  0
 59 60  2  0  0  0
 61 62  1  0  0  0
 61333  1  0  0  0
 62 67  1  0  0  0
 62 63  1  0  0  0
 62334  1  0  0  0
 63 64  1  0  0  0
 63335  1  0  0  0
 63336  1  0  0  0
 64 66  1  0  0  0
 64 65  1  0  0  0
 64337  1  0  0  0
 65338  1  0  0  0
 65339  1  0  0  0
 65340  1  0  0  0
 66341  1  0  0  0
 66342  1  0  0  0
 66343  1  0  0  0
 67 69  1  0  0  0
 67 68  2  0  0  0
 69 70  1  0  0  0
 69344  1  0  0  0
 70 72  1  0  0  0
 70 71  1  0  0  0
 70345  1  0  0  0
 71346  1  0  0  0
 71347  1  0  0  0
 71348  1  0  0  0
 72 74  1  0  0  0
 72 73  2  0  0  0
 74 75  1  0  0  0
 74349  1  0  0  0
 75 77  1  0  0  0
 75 76  1  0  0  0
 75350  1  0  0  0
 76351  1  0  0  0
 76352  1  0  0  0
 76353  1  0  0  0
 77 79  1  0  0  0
 77 78  2  0  0  0
 79 80  1  0  0  0
 79354  1  0  0  0
 80 88  1  0  0  0
 80 81  1  0  0  0
 80355  1  0  0  0
 81 82  1  0  0  0
 81356  1  0  0  0
 81357  1  0  0  0
 82 83  1  0  0  0
 82358  1  0  0  0
 82359  1  0  0  0
 83 84  1  0  0  0
 83360  1  0  0  0
 83361  1  0  0  0
 84 85  1  0  0  0
 84362  1  0  0  0
 85 87  1  0  0  0
 85 86  2  0  0  0
 86363  1  0  0  0
 87364  1  0  0  0
 87365  1  0  0  0
 88 90  1  0  0  0
 88 89  2  0  0  0
 90 91  1  0  0  0
 90366  1  0  0  0
 91 96  1  0  0  0
 91 92  1  0  0  0
 91367  1  0  0  0
 92 93  1  0  0  0
 92368  1  0  0  0
 92369  1  0  0  0
 93 95  1  0  0  0
 93 94  2  0  0  0
 95370  1  0  0  0
 96 98  1  0  0  0
 96 97  2  0  0  0
 98 99  1  0  0  0
 98371  1  0  0  0
 99107  1  0  0  0
 99100  1  0  0  0
 99372  1  0  0  0
100101  1  0  0  0
100373  1  0  0  0
100374  1  0  0  0
101102  2  0  0  0
101106  1  0  0  0
102103  1  0  0  0
102375  1  0  0  0
103104  2  0  0  0
103376  1  0  0  0
104105  1  0  0  0
104377  1  0  0  0
105106  2  0  0  0
105378  1  0  0  0
106379  1  0  0  0
107109  1  0  0  0
107108  2  0  0  0
109110  1  0  0  0
109380  1  0  0  0
110115  1  0  0  0
110111  1  0  0  0
110381  1  0  0  0
111113  1  0  0  0
111112  1  0  0  0
111382  1  0  0  0
112383  1  0  0  0
112384  1  0  0  0
112385  1  0  0  0
113114  1  0  0  0
113386  1  0  0  0
113387  1  0  0  0
114388  1  0  0  0
114389  1  0  0  0
114390  1  0  0  0
115117  1  0  0  0
115116  2  0  0  0
117118  1  0  0  0
117391  1  0  0  0
118123  1  0  0  0
118119  1  0  0  0
118392  1  0  0  0
119120  1  0  0  0
119393  1  0  0  0
119394  1  0  0  0
120122  1  0  0  0
120121  2  0  0  0
122395  1  0  0  0
122396  1  0  0  0
123125  1  0  0  0
123124  2  0  0  0
125126  1  0  0  0
125397  1  0  0  0
126137  1  0  0  0
126127  1  0  0  0
126398  1  0  0  0
127128  1  0  0  0
127399  1  0  0  0
127400  1  0  0  0
128136  1  0  0  0
128129  2  0  0  0
129130  1  0  0  0
129401  1  0  0  0
130131  1  0  0  0
130402  1  0  0  0
131136  1  0  0  0
131132  2  0  0  0
132133  1  0  0  0
132403  1  0  0  0
133134  2  0  0  0
133404  1  0  0  0
134135  1  0  0  0
134405  1  0  0  0
135136  2  0  0  0
135406  1  0  0  0
137139  1  0  0  0
137138  2  0  0  0
139140  1  0  0  0
139407  1  0  0  0
140145  1  0  0  0
140141  1  0  0  0
140408  1  0  0  0
141142  1  0  0  0
141409  1  0  0  0
141410  1  0  0  0
142144  1  0  0  0
142143  1  0  0  0
142411  1  0  0  0
143412  1  0  0  0
143413  1  0  0  0
143414  1  0  0  0
144415  1  0  0  0
144416  1  0  0  0
144417  1  0  0  0
145147  1  0  0  0
145146  2  0  0  0
147148  1  0  0  0
147418  1  0  0  0
148153  1  0  0  0
148149  1  0  0  0
148419  1  0  0  0
149151  1  0  0  0
149150  1  0  0  0
149420  1  0  0  0
150421  1  0  0  0
150422  1  0  0  0
150423  1  0  0  0
151152  1  0  0  0
151424  1  0  0  0
151425  1  0  0  0
152426  1  0  0  0
152427  1  0  0  0
152428  1  0  0  0
153155  1  0  0  0
153154  2  0  0  0
155156  1  0  0  0
155429  1  0  0  0
156162  1  0  0  0
156157  1  0  0  0
156430  1  0  0  0
157158  1  0  0  0
157431  1  0  0  0
157432  1  0  0  0
158159  1  0  0  0
158433  1  0  0  0
158434  1  0  0  0
159161  1  0  0  0
159160  2  0  0  0
161435  1  0  0  0
161436  1  0  0  0
162164  1  0  0  0
162163  2  0  0  0
164165  1  0  0  0
164437  1  0  0  0
165169  1  0  0  0
165166  1  0  0  0
165438  1  0  0  0
166168  1  0  0  0
166167  1  0  0  0
166439  1  0  0  0
167440  1  0  0  0
167441  1  0  0  0
167442  1  0  0  0
168443  1  0  0  0
169171  1  0  0  0
169170  2  0  0  0
171172  1  0  0  0
171444  1  0  0  0
172178  1  0  0  0
172173  1  0  0  0
172445  1  0  0  0
173174  1  0  0  0
173446  1  0  0  0
173447  1  0  0  0
174175  1  0  0  0
174448  1  0  0  0
174449  1  0  0  0
175176  1  0  0  0
175450  1  0  0  0
175451  1  0  0  0
176177  1  0  0  0
176452  1  0  0  0
176453  1  0  0  0
177454  1  0  0  0
177455  1  0  0  0
178180  1  0  0  0
178179  2  0  0  0
180181  1  0  0  0
180456  1  0  0  0
181186  1  0  0  0
181182  1  0  0  0
181457  1  0  0  0
182184  1  0  0  0
182183  1  0  0  0
182458  1  0  0  0
183459  1  0  0  0
183460  1  0  0  0
183461  1  0  0  0
184185  1  0  0  0
184462  1  0  0  0
184463  1  0  0  0
185464  1  0  0  0
185465  1  0  0  0
185466  1  0  0  0
186188  1  0  0  0
186187  2  0  0  0
188189  1  0  0  0
188467  1  0  0  0
189193  1  0  0  0
189190  1  0  0  0
189468  1  0  0  0
190192  1  0  0  0
190191  1  0  0  0
190469  1  0  0  0
191470  1  0  0  0
191471  1  0  0  0
191472  1  0  0  0
192473  1  0  0  0
193195  1  0  0  0
193194  2  0  0  0
195196  1  0  0  0
195474  1  0  0  0
196201  1  0  0  0
196197  1  0  0  0
196475  1  0  0  0
197198  1  0  0  0
197476  1  0  0  0
197477  1  0  0  0
198200  1  0  0  0
198199  2  0  0  0
200478  1  0  0  0
201203  1  0  0  0
201202  2  0  0  0
203479  1  0  0  0
203480  1  0  0  0
204205  1  0  0  0
204481  1  0  0  0
205207  1  0  0  0
205206  2  0  0  0
207213  1  0  0  0
207208  1  0  0  0
207482  1  0  0  0
208209  1  0  0  0
208483  1  0  0  0
208484  1  0  0  0
209210  1  0  0  0
209485  1  0  0  0
209486  1  0  0  0
210212  1  0  0  0
210211  2  0  0  0
212487  1  0  0  0
213214  1  0  0  0
213488  1  0  0  0
214216  1  0  0  0
214215  2  0  0  0
216221  1  0  0  0
216217  1  0  0  0
216489  1  0  0  0
217218  1  0  0  0
217490  1  0  0  0
217491  1  0  0  0
218220  1  0  0  0
218219  2  0  0  0
220492  1  0  0  0
221222  1  0  0  0
221493  1  0  0  0
222224  1  0  0  0
222223  2  0  0  0
224227  1  0  0  0
224225  1  0  0  0
224494  1  0  0  0
225226  1  0  0  0
225495  1  0  0  0
225496  1  0  0  0
226497  1  0  0  0
227228  1  0  0  0
227498  1  0  0  0
228230  1  0  0  0
228229  2  0  0  0
230238  1  0  0  0
230231  1  0  0  0
230499  1  0  0  0
231232  1  0  0  0
231500  1  0  0  0
231501  1  0  0  0
232233  2  0  0  0
232237  1  0  0  0
233234  1  0  0  0
233502  1  0  0  0
234235  2  0  0  0
234503  1  0  0  0
235236  1  0  0  0
235504  1  0  0  0
236237  2  0  0  0
236505  1  0  0  0
237506  1  0  0  0
238239  1  0  0  0
238507  1  0  0  0
239241  1  0  0  0
239240  2  0  0  0
241244  1  0  0  0
241242  1  0  0  0
241508  1  0  0  0
242243  1  0  0  0
242509  1  0  0  0
242510  1  0  0  0
243511  1  0  0  0
244245  1  0  0  0
244512  1  0  0  0
245247  1  0  0  0
245246  2  0  0  0
247248  1  0  0  0
247513  1  0  0  0
247514  1  0  0  0
248249  1  0  0  0
248515  1  0  0  0
249251  1  0  0  0
249250  2  0  0  0
251256  1  0  0  0
251252  1  0  0  0
251516  1  0  0  0
252253  1  0  0  0
252517  1  0  0  0
252518  1  0  0  0
253255  1  0  0  0
253254  2  0  0  0
255519  1  0  0  0
256257  1  0  0  0
256520  1  0  0  0
257259  1  0  0  0
257258  2  0  0  0
259260  1  0  0  0
259521  1  0  0  0
259522  1  0  0  0
260261  1  0  0  0
260523  1  0  0  0
261263  1  0  0  0
261262  2  0  0  0
263270  1  0  0  0
263264  1  0  0  0
263524  1  0  0  0
264265  1  0  0  0
264525  1  0  0  0
264526  1  0  0  0
265266  2  0  0  0
265269  1  0  0  0
266267  1  0  0  0
266527  1  0  0  0
267268  2  0  0  0
268269  1  0  0  0
268528  1  0  0  0
269529  1  0  0  0
270530  1  0  0  0
270531  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3824232

>  <PubChem CID>
127051393

>  <Formula>
C175H261N43O52

>  <Molecular Weight>
3799.262000

>  <IUPAC Name>


>  <XlogP>
-8.9

>  <Hydrogen Bond Donors>
53

>  <Hydrogen Bond Acceptors>
56

>  <Canonical SMILES>
CCCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(C(C)CC)C(=O)NC(CC(=O)N)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC7=CN=CN7)N

>  <Isomeric SMILES>
CCCCC(C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC7=CN=CN7)N

>  <InChI Std. ID>
InChI=1S/C175H261N43O52/c1-21-26-53-106(194-151(247)110(58-60-131(228)229)195-160(256)122(75-134(234)235)208-167(263)126(83-220)211-157(253)116(67-98-46-33-28-34-47-98)204-166(262)125(82-219)192-130(227)81-187-148(244)121(74-133(232)233)191-129(226)80-186-147(243)104(177)71-102-79-183-84-188-102)149(245)201-118(69-100-50-37-30-38-51-100)165(261)217-143(96(20)223)174(270)215-139(90(14)24-4)170(266)209-113(64-86(8)9)155(251)207-124(77-136(238)239)162(258)202-115(66-97-44-31-27-32-45-97)156(252)199-112(63-85(6)7)154(250)190-92(16)145(241)189-93(17)146(242)193-108(56-43-62-184-175(181)182)150(246)206-123(76-135(236)237)161(257)203-117(68-99-48-35-29-36-49-99)164(260)214-138(89(13)23-3)169(265)210-120(72-128(179)225)159(255)205-119(70-101-78-185-105-54-40-39-52-103(101)105)158(254)200-114(65-87(10)11)163(259)213-137(88(12)22-2)168(264)197-109(57-59-127(178)224)153(249)216-141(94(18)221)172(268)196-107(55-41-42-61-176)152(248)212-140(91(15)25-5)171(267)218-142(95(19)222)173(269)198-111(144(180)240)73-132(230)231/h27-40,44-52,54,78-79,84-96,104,106-126,137-143,185,219-223H,21-26,41-43,53,55-77,80-83,176-177H2,1-20H3,(H2,178,224)(H2,179,225)(H2,180,240)(H,183,188)(H,186,243)(H,187,244)(H,189,241)(H,190,250)(H,191,226)(H,192,227)(H,193,242)(H,194,247)(H,195,256)(H,196,268)(H,197,264)(H,198,269)(H,199,252)(H,200,254)(H,201,245)(H,202,258)(H,203,257)(H,204,262)(H,205,255)(H,206,246)(H,207,251)(H,208,263)(H,209,266)(H,210,265)(H,211,253)(H,212,248)(H,213,259)(H,214,260)(H,215,270)(H,216,249)(H,217,261)(H,218,267)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H4,181,182,184)/t88-,89-,90-,91-,92-,93-,94+,95+,96+,104-,106?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119-,120-,121-,122-,123-,124-,125-,126-,137-,138-,139-,140-,141-,142-,143-/m0/s1

>  <InChI Key>
AHJIBYSIEZYEBH-YLTAUJTMSA-N

