
 BDBM50158966

673677  0  0  0  0  0  0  0  0999 V2000
   17.1807   26.9234    5.0938 C   0  0  0  0  0
   18.3809   27.8565    5.1852 C   0  0  0  0  0
   18.7358   28.5687    3.8576 C   0  0  0  0  0
   17.5471   29.4043    3.3581 C   0  0  0  0  0
   20.0055   29.4429    4.0200 C   0  0  0  0  0
   21.1831   28.7930    4.7869 C   0  0  0  0  0
   21.4846   29.2658    5.8944 O   0  0  0  0  0
   21.9236   27.7344    4.4046 N   0  0  0  0  0
   22.1062   26.8347    3.2567 C   0  0  0  0  0
   20.9007   26.3537    2.4535 C   0  0  0  0  0
   20.0017   25.6280    3.2855 O   0  0  0  0  0
   23.1541   27.3433    2.2562 C   0  0  0  0  0
   22.8929   28.2069    1.4240 O   0  0  0  0  0
   24.3846   26.7233    2.3780 N   0  0  0  0  0
   25.3357   26.6689    1.2500 C   0  0  0  0  0
   26.7904   26.5578    1.7863 C   0  0  0  0  0
   27.0693   25.3071    2.6345 C   0  0  0  0  0
   27.8109   26.6859    0.6383 C   0  0  0  0  0
   29.2603   26.7645    1.1024 C   0  0  0  0  0
   24.8377   25.4356    0.4590 C   0  0  0  0  0
   24.7768   24.3246    1.0046 O   0  0  0  0  0
   24.1342   25.5564   -0.7046 N   0  0  0  0  0
   24.4563   26.2838   -1.9525 C   0  0  0  0  0
   25.0136   27.6918   -1.8370 C   0  0  0  0  0
   24.9464   28.3325   -3.1921 C   0  0  0  0  0
   25.7319   28.1571   -4.1084 O   0  0  0  0  0
   23.8341   29.0709   -3.3554 O   0  0  0  0  0
   25.4227   25.3679   -2.7285 C   0  0  0  0  0
   26.6088   25.2778   -2.3958 O   0  0  0  0  0
   24.9861   24.5095   -3.6948 N   0  0  0  0  0
   23.7053   24.3772   -4.4232 C   0  0  0  0  0
   22.4977   24.1086   -3.5088 C   0  0  0  0  0
   21.3157   23.4078   -4.2135 C   0  0  0  0  0
   21.6248   21.9485   -4.5586 C   0  0  0  0  0
   20.0753   23.4587   -3.3152 C   0  0  0  0  0
   23.5514   25.6210   -5.3344 C   0  0  0  0  0
   23.0332   26.6563   -4.9026 O   0  0  0  0  0
   24.1716   25.6034   -6.5685 N   0  0  0  0  0
   24.3105   26.8277   -7.3398 C   0  0  0  0  0
   24.9832   26.4098   -8.6398 C   0  0  0  0  0
   25.6938   25.1143   -8.2668 C   0  0  0  0  0
   24.7263   24.4528   -7.2998 C   0  0  0  0  0
   23.5506   23.6526   -7.9246 C   0  0  0  0  0
   22.4273   23.6436   -7.4128 O   0  0  0  0  0
   23.8112   22.6856   -8.8659 N   0  0  0  0  0
   23.5043   22.9084  -10.3035 C   0  0  0  0  0
   22.3411   23.8821  -10.5565 C   0  0  0  0  0
   21.8658   23.8483  -12.0112 C   0  0  0  0  0
   20.9551   25.0145  -12.3041 C   0  0  0  0  0
   19.7357   24.9213  -12.3687 O   0  0  0  0  0
   21.5912   26.2096  -12.4648 N   0  0  0  0  0
   24.7621   23.3055  -11.0856 C   0  0  0  0  0
   25.0061   24.4848  -11.3602 O   0  0  0  0  0
   25.7015   22.3752  -11.4274 N   0  0  0  0  0
   25.5780   20.9216  -11.7122 C   0  0  0  0  0
   25.1943   20.0120  -10.5290 C   0  0  0  0  0
   24.0622   19.0043  -10.5882 C   0  0  0  0  0
   24.2681   17.7425   -9.9976 C   0  0  0  0  0
   23.2428   16.7972   -9.9196 C   0  0  0  0  0
   21.9861   17.1090  -10.4107 C   0  0  0  0  0
   21.7457   18.3480  -10.9877 C   0  0  0  0  0
   22.7826   19.2844  -11.0838 C   0  0  0  0  0
   21.0089   16.1651  -10.3155 O   0  0  0  0  0
   24.8545   20.7294  -13.0544 C   0  0  0  0  0
   23.8519   21.4033  -13.3204 O   0  0  0  0  0
   25.2962   19.8594  -14.0004 N   0  0  0  0  0
   26.3842   18.8755  -14.0638 C   0  0  0  0  0
   27.7787   19.4141  -13.6901 C   0  0  0  0  0
   28.9393   18.6588  -14.3819 C   0  0  0  0  0
   29.0228   18.9606  -15.8813 C   0  0  0  0  0
   30.2680   19.0334  -13.7184 C   0  0  0  0  0
   26.0192   17.5716  -13.3223 C   0  0  0  0  0
   26.5411   17.2886  -12.2398 O   0  0  0  0  0
   25.1596   16.6566  -13.8649 N   0  0  0  0  0
   24.1134   16.7692  -14.9052 C   0  0  0  0  0
   22.8535   17.4579  -14.3550 C   0  0  0  0  0
   21.6060   17.3177  -15.2545 C   0  0  0  0  0
   21.0355   15.8979  -15.2280 C   0  0  0  0  0
   20.5244   18.3043  -14.8060 C   0  0  0  0  0
   24.6429   17.4217  -16.1915 C   0  0  0  0  0
   24.3806   18.5991  -16.4660 O   0  0  0  0  0
   25.5504   16.7983  -16.9942 N   0  0  0  0  0
   25.7890   15.3704  -17.2640 C   0  0  0  0  0
   26.1657   14.5236  -16.0415 C   0  0  0  0  0
   26.8256   13.1988  -16.4479 C   0  0  0  0  0
   27.0968   12.3202  -15.2266 C   0  0  0  0  0
   27.7134   11.0680  -15.6197 N   0  0  0  0  0
   29.0161   10.9147  -15.9416 C   0  0  0  0  0
   29.9926   11.7177  -15.7465 N   0  0  0  0  0
   29.2453    9.7214  -16.5209 N   0  0  0  0  0
   24.5464   14.8472  -18.0071 C   0  0  0  0  0
   23.6019   14.3514  -17.3833 O   0  0  0  0  0
   24.3664   15.0473  -19.3441 N   0  0  0  0  0
   25.3065   15.3665  -20.4331 C   0  0  0  0  0
   26.0852   16.6767  -20.2646 C   0  0  0  0  0
   26.6472   17.1936  -21.5945 C   0  0  0  0  0
   27.4564   18.4768  -21.3920 C   0  0  0  0  0
   28.0086   18.9959  -22.7182 C   0  0  0  0  0
   28.7815   20.2117  -22.4985 N   0  0  0  0  0
   26.2203   14.1444  -20.6271 C   0  0  0  0  0
   27.1249   13.9010  -19.8226 O   0  0  0  0  0
   25.9998   13.2315  -21.6107 N   0  0  0  0  0
   25.0593   13.1851  -22.7290 C   0  0  0  0  0
   23.5798   13.2164  -22.3050 C   0  0  0  0  0
   22.6725   12.7316  -23.4395 C   0  0  0  0  0
   20.9448   12.6707  -22.8746 S   0  0  0  0  0
   20.1821   12.0753  -24.4049 C   0  0  0  0  0
   25.4074   14.2475  -23.7944 C   0  0  0  0  0
   24.9081   15.3767  -23.7443 O   0  0  0  0  0
   26.2487   14.0002  -24.8360 N   0  0  0  0  0
   27.2340   12.9441  -25.1422 C   0  0  0  0  0
   28.6748   13.3106  -24.6857 C   0  0  0  0  0
   28.8449   13.4836  -23.1789 C   0  0  0  0  0
   29.7028   12.3139  -25.2703 C   0  0  0  0  0
   31.1491   12.7716  -25.1317 C   0  0  0  0  0
   26.7586   11.5152  -24.8345 C   0  0  0  0  0
   27.1633   10.8997  -23.8435 O   0  0  0  0  0
   25.7649   10.9209  -25.5549 N   0  0  0  0  0
   25.1453   11.1967  -26.8683 C   0  0  0  0  0
   24.4754   12.5696  -27.0118 C   0  0  0  0  0
   25.1222   13.5544  -27.9811 C   0  0  0  0  0
   24.4731   14.8993  -27.8334 C   0  0  0  0  0
   23.3898   15.2239  -28.2887 O   0  0  0  0  0
   25.1918   15.7316  -27.0550 O   0  0  0  0  0
   26.0952   10.7835  -28.0147 C   0  0  0  0  0
   27.3078   11.0055  -27.9379 O   0  0  0  0  0
   25.6273   10.2620  -29.1848 N   0  0  0  0  0
   24.3567    9.5940  -29.5349 C   0  0  0  0  0
   24.2511    8.1211  -29.0410 C   0  0  0  0  0
   24.2732    7.9215  -27.5258 C   0  0  0  0  0
   23.0229    7.4327  -29.6858 C   0  0  0  0  0
   23.0006    5.9194  -29.5147 C   0  0  0  0  0
   23.1469   10.5095  -29.2779 C   0  0  0  0  0
   22.3740   10.3185  -28.3351 O   0  0  0  0  0
   22.9722   11.6649  -29.9910 N   0  0  0  0  0
   23.2673   11.9675  -31.4059 C   0  0  0  0  0
   24.7180   11.8213  -31.8686 C   0  0  0  0  0
   24.9632   12.5525  -33.1936 C   0  0  0  0  0
   26.4228   12.6362  -33.5495 C   0  0  0  0  0
   26.9592   13.5599  -34.1387 O   0  0  0  0  0
   27.1305   11.5408  -33.2194 O   0  0  0  0  0
   22.2750   11.1081  -32.1986 C   0  0  0  0  0
   22.5377    9.9347  -32.4781 O   0  0  0  0  0
   20.9767   11.5132  -32.3532 N   0  0  0  0  0
   20.4567   12.8099  -32.8317 C   0  0  0  0  0
   20.9353   14.0810  -32.1194 C   0  0  0  0  0
   19.9771   15.2593  -32.3424 C   0  0  0  0  0
   20.4790   16.5338  -31.6591 C   0  0  0  0  0
   19.5042   17.6914  -31.8758 C   0  0  0  0  0
   20.0076   18.9044  -31.2447 N   0  0  0  0  0
   20.7702   12.8483  -34.3388 C   0  0  0  0  0
   21.9264   13.0301  -34.7335 O   0  0  0  0  0
   19.8177   12.5662  -35.2714 N   0  0  0  0  0
   18.3718   12.3191  -35.1595 C   0  0  0  0  0
   18.0219   11.0464  -34.3740 C   0  0  0  0  0
   16.5447   10.6599  -34.5235 C   0  0  0  0  0
   15.8883   10.4239  -33.1822 C   0  0  0  0  0
   15.5380    9.3175  -32.7910 O   0  0  0  0  0
   15.7124   11.5365  -32.4170 N   0  0  0  0  0
   17.6947   13.5943  -34.6215 C   0  0  0  0  0
   17.2490   13.6479  -33.4699 O   0  0  0  0  0
   17.6433   14.7435  -35.3599 N   0  0  0  0  0
   17.4158   14.8792  -36.8109 C   0  0  0  0  0
   18.5429   14.3534  -37.7029 C   0  0  0  0  0
   18.4692   14.9415  -39.1171 C   0  0  0  0  0
   19.5570   14.4577  -40.0408 C   0  0  0  0  0
   19.6610   14.7546  -41.2201 O   0  0  0  0  0
   20.4674   13.6518  -39.4670 O   0  0  0  0  0
   16.0480   14.2260  -37.0727 C   0  0  0  0  0
   15.9673   13.0279  -37.3609 O   0  0  0  0  0
   14.8819   14.8779  -36.7910 N   0  0  0  0  0
   14.5521   16.3135  -36.8215 C   0  0  0  0  0
   15.3333   17.2150  -35.8570 C   0  0  0  0  0
   14.6061   18.5407  -35.5930 C   0  0  0  0  0
   15.4241   19.4529  -34.6754 C   0  0  0  0  0
   14.6721   20.7477  -34.3710 C   0  0  0  0  0
   15.4745   21.6001  -33.5021 N   0  0  0  0  0
   14.6841   16.7398  -38.2931 C   0  0  0  0  0
   15.7970   16.9023  -38.8045 O   0  0  0  0  0
   13.6008   16.8109  -39.1149 N   0  0  0  0  0
   12.1573   16.7707  -38.8342 C   0  0  0  0  0
   11.6749   15.4234  -38.2864 C   0  0  0  0  0
   10.1590   15.2594  -38.4414 C   0  0  0  0  0
    9.7038   13.9350  -37.8938 C   0  0  0  0  0
   10.4015   13.0673  -37.3972 O   0  0  0  0  0
    8.3732   13.7692  -38.0088 O   0  0  0  0  0
   11.8154   17.9781  -37.9434 C   0  0  0  0  0
   11.5640   17.8427  -36.7429 O   0  0  0  0  0
   11.9080   19.2592  -38.4117 N   0  0  0  0  0
   11.5967   19.7839  -39.7516 C   0  0  0  0  0
   12.4412   19.2477  -40.9137 C   0  0  0  0  0
   12.3187   20.1178  -42.1706 C   0  0  0  0  0
   13.2026   19.5975  -43.3066 C   0  0  0  0  0
   13.0428   20.4542  -44.5626 C   0  0  0  0  0
   13.9185   19.9686  -45.6192 N   0  0  0  0  0
   10.0849   19.5586  -39.9377 C   0  0  0  0  0
    9.6331   18.4225  -40.1113 O   0  0  0  0  0
    9.1917   20.5772  -39.7959 N   0  0  0  0  0
    9.3792   22.0202  -39.5887 C   0  0  0  0  0
    9.9550   22.3506  -38.2042 C   0  0  0  0  0
    9.8028   23.8346  -37.8485 C   0  0  0  0  0
   11.1090   24.4192  -37.3627 C   0  0  0  0  0
   11.3466   24.6466  -36.1830 O   0  0  0  0  0
   12.0328   24.6527  -38.3348 N   0  0  0  0  0
   10.1924   22.6011  -40.7609 C   0  0  0  0  0
   11.2681   23.1802  -40.5746 O   0  0  0  0  0
    9.7957   22.4400  -42.0572 N   0  0  0  0  0
    8.4449   22.5291  -42.6399 C   0  0  0  0  0
    7.3604   21.6077  -42.0776 C   0  0  0  0  0
    6.0977   21.5985  -42.9415 C   0  0  0  0  0
    5.0581   20.6513  -42.3919 C   0  0  0  0  0
    4.7446   19.6043  -42.9440 O   0  0  0  0  0
    4.4829   21.0320  -41.2170 N   0  0  0  0  0
    8.0689   24.0156  -42.5242 C   0  0  0  0  0
    7.7562   24.4987  -41.4315 O   0  0  0  0  0
    8.1839   24.8550  -43.5906 N   0  0  0  0  0
    8.4769   24.5864  -45.0063 C   0  0  0  0  0
    9.9246   24.1724  -45.2489 C   0  0  0  0  0
    7.4542   23.5883  -45.5723 C   0  0  0  0  0
    7.7987   22.4906  -46.0176 O   0  0  0  0  0
    6.1113   23.8295  -45.4913 N   0  0  0  0  0
    5.3876   25.0911  -45.7004 C   0  0  0  0  0
    5.7698   26.3021  -44.8663 C   0  0  0  0  0
    5.4926   25.3718  -47.2027 C   0  0  0  0  0
    6.5648   25.7244  -47.7045 O   0  0  0  0  0
    4.4633   25.0849  -48.0494 N   0  0  0  0  0
    3.0128   24.9703  -47.7983 C   0  0  0  0  0
    2.5741   23.7938  -46.9312 C   0  0  0  0  0
    1.1194   23.5074  -47.2198 C   0  0  0  0  0
    0.2151   24.2612  -46.8779 O   0  0  0  0  0
    0.8632   22.3596  -47.9031 N   0  0  0  0  0
    2.5695   26.3280  -47.2316 C   0  0  0  0  0
    2.7364   26.6098  -46.0409 O   0  0  0  0  0
    2.1542   27.3369  -48.0438 N   0  0  0  0  0
    1.6822   27.3264  -49.4368 C   0  0  0  0  0
    2.7664   27.0570  -50.4725 C   0  0  0  0  0
    2.2973   27.1239  -51.9106 C   0  0  0  0  0
    2.6856   26.3197  -52.7543 O   0  0  0  0  0
    1.5292   28.1778  -52.2911 N   0  0  0  0  0
    0.4778   26.3764  -49.5288 C   0  0  0  0  0
    0.5960   25.2382  -49.9887 O   0  0  0  0  0
   -0.7277   26.7164  -48.9916 N   0  0  0  0  0
   -1.3409   28.0314  -48.7713 C   0  0  0  0  0
   -0.6535   28.9358  -47.7417 C   0  0  0  0  0
   -1.5807   30.0650  -47.2658 C   0  0  0  0  0
   -0.9131   30.9297  -46.1960 C   0  0  0  0  0
   -1.7552   32.0634  -45.8571 N   0  0  0  0  0
   -2.7319   32.0357  -44.9236 C   0  0  0  0  0
   -3.2968   31.0289  -44.3738 N   0  0  0  0  0
   -3.1198   33.2772  -44.5767 N   0  0  0  0  0
   -1.4473   28.6607  -50.1711 C   0  0  0  0  0
   -0.4827   29.2267  -50.6993 O   0  0  0  0  0
   -2.5444   28.4648  -50.9481 N   0  0  0  0  0
   -3.9159   28.1114  -50.5705 C   0  0  0  0  0
   -4.0977   26.6275  -50.2166 C   0  0  0  0  0
   -5.5741   26.1735  -50.2923 C   0  0  0  0  0
   -6.0509   26.0097  -51.7380 C   0  0  0  0  0
   -5.7579   24.8517  -49.5439 C   0  0  0  0  0
   -4.3760   29.0746  -49.4574 C   0  0  0  0  0
   -4.5934   28.6824  -48.3085 O   0  0  0  0  0
   -4.4629   30.4198  -49.6729 N   0  0  0  0  0
   -4.8427   31.1263  -50.9041 C   0  0  0  0  0
   -3.8168   31.0677  -52.0450 C   0  0  0  0  0
   -3.9164   32.2489  -53.0375 C   0  0  0  0  0
   -3.3434   33.5426  -52.4506 C   0  0  0  0  0
   -3.1563   31.9119  -54.3249 C   0  0  0  0  0
   -6.2323   30.5716  -51.2770 C   0  0  0  0  0
   -6.3711   29.6623  -52.0985 O   0  0  0  0  0
   -7.3457   30.9613  -50.5846 N   0  0  0  0  0
   -7.6178   32.2845  -50.0029 C   0  0  0  0  0
   -6.8906   32.5472  -48.6758 C   0  0  0  0  0
   -7.5039   33.6854  -47.8314 C   0  0  0  0  0
   -8.8825   33.3218  -47.2763 C   0  0  0  0  0
   -6.5622   34.0261  -46.6709 C   0  0  0  0  0
   -7.3047   33.2973  -51.1165 C   0  0  0  0  0
   -6.4118   34.1399  -51.0206 O   0  0  0  0  0
   -7.9149   33.1623  -52.3429 N   0  0  0  0  0
   -9.3759   33.2697  -52.5565 C   0  0  0  0  0
  -10.2453   32.2060  -51.9078 C   0  0  0  0  0
  -11.5408   32.1064  -52.6552 C   0  0  0  0  0
  -12.5771   32.6846  -52.3778 O   0  0  0  0  0
  -11.4566   31.2983  -53.7275 O   0  0  0  0  0
   -9.6754   34.6791  -52.0476 C   0  0  0  0  0
   -9.8975   34.8842  -50.8504 O   0  0  0  0  0
   -9.4295   35.7618  -52.8380 N   0  0  0  0  0
   -9.5416   35.9650  -54.3003 C   0  0  0  0  0
   -8.3530   35.4257  -55.1440 C   0  0  0  0  0
   -8.5974   34.2439  -56.0744 C   0  0  0  0  0
   -7.8705   36.4966  -55.9757 O   0  0  0  0  0
  -10.9533   35.5572  -54.7582 C   0  0  0  0  0
  -11.2786   34.3635  -54.7868 O   0  0  0  0  0
  -11.9308   36.4504  -55.0652 N   0  0  0  0  0
  -12.0528   37.9204  -55.0681 C   0  0  0  0  0
  -12.3508   38.6109  -53.7036 C   0  0  0  0  0
  -11.3160   38.3544  -52.6184 C   0  0  0  0  0
  -12.6085   40.1252  -53.9025 C   0  0  0  0  0
  -12.9646   40.8811  -52.6283 C   0  0  0  0  0
  -11.0103   38.6284  -55.9436 C   0  0  0  0  0
   -9.9160   39.0337  -55.5974 O   0  0  0  0  0
  -11.4089   38.7478  -57.2286 O   0  0  0  0  0
   20.4938   30.0621    2.7772 N   0  0  0  0  0
   21.1771   31.2587    2.8600 C   0  0  0  0  0
   22.3845   31.2286    2.6009 O   0  0  0  0  0
   20.4167   32.6223    3.0046 C   0  0  0  0  0
   19.2846   32.7206    4.0174 C   0  0  0  0  0
   19.9994   32.9438    5.3433 C   0  0  0  0  0
   21.2252   33.7577    4.9606 C   0  0  0  0  0
   21.3582   33.6330    3.5134 N   0  0  0  0  0
   22.3741   34.3243    2.8967 C   0  0  0  0  0
   23.1656   34.9679    3.6094 O   0  0  0  0  0
   22.4614   34.5867    1.3675 C   0  0  0  0  0
   21.9327   33.6045    0.3264 C   0  0  0  0  0
   20.7755   34.3112   -0.3868 C   0  0  0  0  0
   20.4719   35.5395    0.4484 C   0  0  0  0  0
   21.7301   35.8334    1.0958 N   0  0  0  0  0
   22.1062   37.1341    1.3534 C   0  0  0  0  0
   21.3497   38.0697    1.0654 O   0  0  0  0  0
   23.5029   37.4310    1.9394 C   0  0  0  0  0
   24.1674   38.3913    1.0651 N   0  0  0  0  0
   24.1858   39.7483    1.1090 C   0  0  0  0  0
   24.5058   40.3352    0.0685 O   0  0  0  0  0
   23.8595   40.5587    2.3698 C   0  0  0  0  0
   22.4359   40.5427    2.8947 C   0  0  0  0  0
   22.5965   41.0507    4.3284 C   0  0  0  0  0
   24.0029   40.6283    4.6834 C   0  0  0  0  0
   24.5269   40.7069    5.7799 O   0  0  0  0  0
   24.6287   40.1957    3.5318 N   0  0  0  0  0
   17.0711   26.3654    6.0298 H   0  0  0  0  0
   17.3041   26.1997    4.2825 H   0  0  0  0  0
   16.2512   27.4761    4.9318 H   0  0  0  0  0
   19.2318   27.2537    5.5211 H   0  0  0  0  0
   18.1940   28.6010    5.9689 H   0  0  0  0  0
   18.8937   27.8149    3.0932 H   0  0  0  0  0
   17.1872   30.0878    4.1334 H   0  0  0  0  0
   16.7105   28.7598    3.0685 H   0  0  0  0  0
   17.8133   29.9907    2.4731 H   0  0  0  0  0
   19.7087   30.2565    4.6825 H   0  0  0  0  0
   22.6340   27.5970    5.1152 H   0  0  0  0  0
   22.5112   25.9326    3.7358 H   0  0  0  0  0
   21.2346   25.6678    1.6649 H   0  0  0  0  0
   20.3860   27.1741    1.9504 H   0  0  0  0  0
   19.2961   25.2785    2.7129 H   0  0  0  0  0
   24.4098   25.8934    2.9599 H   0  0  0  0  0
   25.2183   27.5874    0.6809 H   0  0  0  0  0
   26.9402   27.4196    2.4528 H   0  0  0  0  0
   27.1256   24.4044    2.0185 H   0  0  0  0  0
   26.3100   25.1531    3.4059 H   0  0  0  0  0
   28.0240   25.4027    3.1626 H   0  0  0  0  0
   27.5981   27.5988    0.0722 H   0  0  0  0  0
   27.7080   25.8421   -0.0521 H   0  0  0  0  0
   29.3957   27.5659    1.8354 H   0  0  0  0  0
   29.9156   26.9712    0.2499 H   0  0  0  0  0
   29.5932   25.8231    1.5492 H   0  0  0  0  0
   23.7548   24.6387   -0.9094 H   0  0  0  0  0
   23.5082   26.3511   -2.4786 H   0  0  0  0  0
   26.0539   27.7212   -1.5071 H   0  0  0  0  0
   24.4242   28.3008   -1.1437 H   0  0  0  0  0
   23.7768   29.2118   -4.3246 H   0  0  0  0  0
   25.7676   23.9959   -4.0854 H   0  0  0  0  0
   23.8510   23.4932   -5.0444 H   0  0  0  0  0
   22.1170   25.0458   -3.0937 H   0  0  0  0  0
   22.8128   23.4915   -2.6578 H   0  0  0  0  0
   21.0777   23.9474   -5.1373 H   0  0  0  0  0
   21.8901   21.3775   -3.6623 H   0  0  0  0  0
   22.4508   21.8618   -5.2691 H   0  0  0  0  0
   20.7537   21.4677   -5.0171 H   0  0  0  0  0
   20.2516   22.9435   -2.3646 H   0  0  0  0  0
   19.2191   22.9835   -3.8056 H   0  0  0  0  0
   19.7972   24.4945   -3.0932 H   0  0  0  0  0
   24.9373   27.5215   -6.7698 H   0  0  0  0  0
   23.3322   27.2898   -7.5046 H   0  0  0  0  0
   24.2261   26.2255   -9.4071 H   0  0  0  0  0
   25.6661   27.1743   -9.0208 H   0  0  0  0  0
   25.9720   24.4996   -9.1184 H   0  0  0  0  0
   26.6229   25.3642   -7.7374 H   0  0  0  0  0
   25.2595   23.7803   -6.6215 H   0  0  0  0  0
   23.1972   21.9225   -8.5976 H   0  0  0  0  0
   23.1891   21.9395  -10.6766 H   0  0  0  0  0
   22.6274   24.9004  -10.2734 H   0  0  0  0  0
   21.4889   23.6194   -9.9165 H   0  0  0  0  0
   21.3257   22.9175  -12.2186 H   0  0  0  0  0
   22.7026   23.8940  -12.7165 H   0  0  0  0  0
   22.5998   26.2892  -12.4978 H   0  0  0  0  0
   21.0292   27.0186  -12.6932 H   0  0  0  0  0
   26.4371   22.8337  -11.9540 H   0  0  0  0  0
   26.6260   20.6972  -11.9010 H   0  0  0  0  0
   25.0445   20.6094   -9.6253 H   0  0  0  0  0
   26.1087   19.4437  -10.2991 H   0  0  0  0  0
   25.2436   17.4772   -9.5912 H   0  0  0  0  0
   23.4270   15.8274   -9.4664 H   0  0  0  0  0
   20.7660   18.6046  -11.3796 H   0  0  0  0  0
   22.5437   20.2274  -11.5625 H   0  0  0  0  0
   20.1838   16.5344  -10.6716 H   0  0  0  0  0
   24.7066   19.8755  -14.8335 H   0  0  0  0  0
   26.4515   18.6245  -15.1190 H   0  0  0  0  0
   27.9327   19.3308  -12.6088 H   0  0  0  0  0
   27.8488   20.4793  -13.9459 H   0  0  0  0  0
   28.7938   17.5791  -14.2533 H   0  0  0  0  0
   29.1139   20.0367  -16.0644 H   0  0  0  0  0
   28.1430   18.5987  -16.4201 H   0  0  0  0  0
   29.8948   18.4693  -16.3267 H   0  0  0  0  0
   30.4681   20.1066  -13.8079 H   0  0  0  0  0
   31.1007   18.4929  -14.1808 H   0  0  0  0  0
   30.2575   18.7772  -12.6537 H   0  0  0  0  0
   25.0071   15.8997  -13.2077 H   0  0  0  0  0
   23.8386   15.7415  -15.1423 H   0  0  0  0  0
   23.0521   18.5194  -14.1856 H   0  0  0  0  0
   22.6240   17.0292  -13.3731 H   0  0  0  0  0
   21.8691   17.5647  -16.2896 H   0  0  0  0  0
   20.7662   15.5975  -14.2095 H   0  0  0  0  0
   21.7497   15.1684  -15.6168 H   0  0  0  0  0
   20.1340   15.8318  -15.8469 H   0  0  0  0  0
   20.1899   18.0917  -13.7856 H   0  0  0  0  0
   19.6512   18.2486  -15.4649 H   0  0  0  0  0
   20.8975   19.3335  -14.8357 H   0  0  0  0  0
   25.8038   17.4157  -17.7543 H   0  0  0  0  0
   26.6501   15.3517  -17.9293 H   0  0  0  0  0
   25.2907   14.2875  -15.4305 H   0  0  0  0  0
   26.8674   15.0824  -15.4106 H   0  0  0  0  0
   27.7636   13.4044  -16.9775 H   0  0  0  0  0
   26.1795   12.6556  -17.1486 H   0  0  0  0  0
   26.1491   12.0892  -14.7263 H   0  0  0  0  0
   27.7155   12.8467  -14.4917 H   0  0  0  0  0
   27.1102   10.4965  -16.2019 H   0  0  0  0  0
   29.6544   12.5631  -15.2886 H   0  0  0  0  0
   28.8521    8.9521  -15.9943 H   0  0  0  0  0
   30.2478    9.5970  -16.6299 H   0  0  0  0  0
   23.4815   14.6513  -19.6422 H   0  0  0  0  0
   24.6708   15.5009  -21.3043 H   0  0  0  0  0
   26.9238   16.5597  -19.5735 H   0  0  0  0  0
   25.4173   17.4437  -19.8551 H   0  0  0  0  0
   25.8216   17.3946  -22.2867 H   0  0  0  0  0
   27.2837   16.4294  -22.0540 H   0  0  0  0  0
   28.2829   18.2816  -20.6969 H   0  0  0  0  0
   26.8189   19.2406  -20.9288 H   0  0  0  0  0
   27.1897   19.2057  -23.4151 H   0  0  0  0  0
   28.6538   18.2401  -23.1790 H   0  0  0  0  0
   28.1806   20.9368  -22.1080 H   0  0  0  0  0
   29.1136   20.5692  -23.3934 H   0  0  0  0  0
   26.6684   12.4663  -21.5727 H   0  0  0  0  0
   25.2028   12.1987  -23.1607 H   0  0  0  0  0
   23.2621   14.2218  -22.0167 H   0  0  0  0  0
   23.4506   12.5714  -21.4258 H   0  0  0  0  0
   22.9703   11.7298  -23.7656 H   0  0  0  0  0
   22.7328   13.4130  -24.2932 H   0  0  0  0  0
   19.1042   11.9738  -24.2541 H   0  0  0  0  0
   20.5892   11.0982  -24.6777 H   0  0  0  0  0
   20.3546   12.7861  -25.2173 H   0  0  0  0  0
   26.3299   14.8274  -25.4234 H   0  0  0  0  0
   27.2990   12.9740  -26.2326 H   0  0  0  0  0
   28.8948   14.2931  -25.1293 H   0  0  0  0  0
   28.6844   12.5484  -22.6371 H   0  0  0  0  0
   28.1595   14.2427  -22.7982 H   0  0  0  0  0
   29.8508   13.8369  -22.9315 H   0  0  0  0  0
   29.4993   12.1722  -26.3388 H   0  0  0  0  0
   29.5996   11.3321  -24.7948 H   0  0  0  0  0
   31.2877   13.7728  -25.5514 H   0  0  0  0  0
   31.8111   12.0852  -25.6698 H   0  0  0  0  0
   31.4703   12.7836  -24.0864 H   0  0  0  0  0
   25.6292    9.9726  -25.2204 H   0  0  0  0  0
   24.3273   10.4767  -26.8576 H   0  0  0  0  0
   24.3335   13.0221  -26.0291 H   0  0  0  0  0
   23.4430   12.4220  -27.3497 H   0  0  0  0  0
   24.9972   13.2413  -29.0203 H   0  0  0  0  0
   26.1973   13.6659  -27.8297 H   0  0  0  0  0
   24.6311   16.5342  -26.9695 H   0  0  0  0  0
   26.3973   10.0511  -29.8112 H   0  0  0  0  0
   24.4096    9.4861  -30.6199 H   0  0  0  0  0
   25.1447    7.6074  -29.4253 H   0  0  0  0  0
   23.4004    8.3649  -27.0394 H   0  0  0  0  0
   25.1805    8.3406  -27.0846 H   0  0  0  0  0
   24.2838    6.8577  -27.2685 H   0  0  0  0  0
   23.0154    7.6442  -30.7621 H   0  0  0  0  0
   22.0939    7.8453  -29.2763 H   0  0  0  0  0
   23.9357    5.4695  -29.8623 H   0  0  0  0  0
   22.1809    5.4899  -30.1001 H   0  0  0  0  0
   22.8412    5.6332  -28.4714 H   0  0  0  0  0
   22.1331   12.1291  -29.6574 H   0  0  0  0  0
   23.0262   13.0201  -31.4936 H   0  0  0  0  0
   24.9951   10.7752  -32.0171 H   0  0  0  0  0
   25.3921   12.2309  -31.1079 H   0  0  0  0  0
   24.5899   13.5806  -33.1214 H   0  0  0  0  0
   24.4418   12.0521  -34.0157 H   0  0  0  0  0
   28.0284   11.7301  -33.5669 H   0  0  0  0  0
   20.4630   10.7300  -32.7446 H   0  0  0  0  0
   19.3857   12.7390  -32.6617 H   0  0  0  0  0
   21.9216   14.3857  -32.4856 H   0  0  0  0  0
   21.0088   13.8967  -31.0412 H   0  0  0  0  0
   18.9875   15.0052  -31.9457 H   0  0  0  0  0
   19.8644   15.4467  -33.4163 H   0  0  0  0  0
   21.4658   16.7984  -32.0593 H   0  0  0  0  0
   20.6048   16.3484  -30.5849 H   0  0  0  0  0
   18.5228   17.4436  -31.4565 H   0  0  0  0  0
   19.3711   17.8764  -32.9472 H   0  0  0  0  0
   20.1069   18.7537  -30.2411 H   0  0  0  0  0
   19.3189   19.6497  -31.3499 H   0  0  0  0  0
   20.2001   12.5780  -36.2115 H   0  0  0  0  0
   18.0233   12.1438  -36.1772 H   0  0  0  0  0
   18.2789   11.1374  -33.3169 H   0  0  0  0  0
   18.6357   10.2203  -34.7568 H   0  0  0  0  0
   16.4591    9.7380  -35.1106 H   0  0  0  0  0
   15.9622   11.4229  -35.0517 H   0  0  0  0  0
   16.0997   12.4457  -32.6646 H   0  0  0  0  0
   15.3035   11.4245  -31.4994 H   0  0  0  0  0
   17.2020   15.4706  -34.8109 H   0  0  0  0  0
   17.3579   15.9491  -36.9925 H   0  0  0  0  0
   18.5181   13.2650  -37.7946 H   0  0  0  0  0
   19.5093   14.6217  -37.2580 H   0  0  0  0  0
   18.5494   16.0329  -39.0661 H   0  0  0  0  0
   17.5109   14.6754  -39.5763 H   0  0  0  0  0
   21.0969   13.4562  -40.1940 H   0  0  0  0  0
   14.0946   14.2630  -36.9735 H   0  0  0  0  0
   13.5140   16.3524  -36.5034 H   0  0  0  0  0
   16.3253   17.4605  -36.2423 H   0  0  0  0  0
   15.4624   16.6983  -34.8995 H   0  0  0  0  0
   13.6351   18.3372  -35.1272 H   0  0  0  0  0
   14.4164   19.0573  -36.5410 H   0  0  0  0  0
   16.3850   19.6825  -35.1532 H   0  0  0  0  0
   15.6472   18.9256  -33.7392 H   0  0  0  0  0
   13.7229   20.5222  -33.8731 H   0  0  0  0  0
   14.4430   21.2842  -35.2984 H   0  0  0  0  0
   16.3196   21.8916  -33.9922 H   0  0  0  0  0
   14.9561   22.4575  -33.3066 H   0  0  0  0  0
   13.8700   17.0259  -40.0677 H   0  0  0  0  0
   11.6655   16.8971  -39.7981 H   0  0  0  0  0
   11.9256   15.2949  -37.2300 H   0  0  0  0  0
   12.1795   14.6098  -38.8240 H   0  0  0  0  0
    9.8840   15.3049  -39.5007 H   0  0  0  0  0
    9.6342   16.0523  -37.8983 H   0  0  0  0  0
    8.2044   12.8837  -37.6235 H   0  0  0  0  0
   11.6800   19.8965  -37.6565 H   0  0  0  0  0
   11.8175   20.8466  -39.6720 H   0  0  0  0  0
   12.1449   18.2362  -41.1978 H   0  0  0  0  0
   13.4941   19.2164  -40.6098 H   0  0  0  0  0
   12.6069   21.1486  -41.9359 H   0  0  0  0  0
   11.2757   20.1295  -42.5058 H   0  0  0  0  0
   12.9374   18.5566  -43.5308 H   0  0  0  0  0
   14.2511   19.6015  -42.9830 H   0  0  0  0  0
   12.0036   20.4289  -44.9090 H   0  0  0  0  0
   13.2943   21.4971  -44.3417 H   0  0  0  0  0
   13.6788   19.0063  -45.8565 H   0  0  0  0  0
   13.7681   20.5141  -46.4673 H   0  0  0  0  0
    8.2357   20.2408  -39.8325 H   0  0  0  0  0
    8.3824   22.4669  -39.6242 H   0  0  0  0  0
   11.0024   22.0472  -38.1271 H   0  0  0  0  0
    9.4186   21.7609  -37.4491 H   0  0  0  0  0
    9.0573   23.9569  -37.0542 H   0  0  0  0  0
    9.4547   24.4346  -38.6975 H   0  0  0  0  0
   11.9151   24.3153  -39.2899 H   0  0  0  0  0
   12.9408   25.0011  -38.0600 H   0  0  0  0  0
   10.5012   22.8555  -42.6558 H   0  0  0  0  0
    8.5932   22.2442  -43.6787 H   0  0  0  0  0
    7.0680   21.9051  -41.0688 H   0  0  0  0  0
    7.7456   20.5832  -42.0222 H   0  0  0  0  0
    6.3336   21.2784  -43.9619 H   0  0  0  0  0
    5.6517   22.5973  -42.9977 H   0  0  0  0  0
    4.5393   21.9791  -40.8675 H   0  0  0  0  0
    3.7305   20.4481  -40.8710 H   0  0  0  0  0
    8.0006   25.8204  -43.3424 H   0  0  0  0  0
    8.3447   25.5306  -45.5400 H   0  0  0  0  0
   10.1563   23.1776  -44.8624 H   0  0  0  0  0
   10.6156   24.8828  -44.7832 H   0  0  0  0  0
   10.1348   24.1483  -46.3241 H   0  0  0  0  0
    5.6285   23.0326  -45.8934 H   0  0  0  0  0
    4.3693   24.8484  -45.4197 H   0  0  0  0  0
    6.7290   26.7385  -45.1482 H   0  0  0  0  0
    5.7787   26.0585  -43.8002 H   0  0  0  0  0
    5.0372   27.1040  -45.0086 H   0  0  0  0  0
    4.7301   25.2826  -49.0080 H   0  0  0  0  0
    2.5865   24.8165  -48.7864 H   0  0  0  0  0
    2.6343   23.9806  -45.8561 H   0  0  0  0  0
    3.1804   22.9067  -47.1463 H   0  0  0  0  0
    1.5779   21.8276  -48.3806 H   0  0  0  0  0
   -0.0971   22.2014  -48.1845 H   0  0  0  0  0
    1.9648   28.1739  -47.5073 H   0  0  0  0  0
    1.3463   28.3460  -49.6037 H   0  0  0  0  0
    3.2002   26.0634  -50.3469 H   0  0  0  0  0
    3.5859   27.7763  -50.3554 H   0  0  0  0  0
    0.9688   28.7485  -51.6600 H   0  0  0  0  0
    1.2191   28.1690  -53.2550 H   0  0  0  0  0
   -1.3768   25.9388  -49.0516 H   0  0  0  0  0
   -2.3264   27.7987  -48.3766 H   0  0  0  0  0
    0.2459   29.4022  -48.1510 H   0  0  0  0  0
   -0.3519   28.3359  -46.8745 H   0  0  0  0  0
   -2.5076   29.6386  -46.8674 H   0  0  0  0  0
   -1.8623   30.6941  -48.1192 H   0  0  0  0  0
    0.0365   31.3144  -46.5862 H   0  0  0  0  0
   -0.6731   30.3409  -45.3031 H   0  0  0  0  0
   -1.2320   32.9323  -45.8038 H   0  0  0  0  0
   -2.9064   30.1627  -44.7439 H   0  0  0  0  0
   -3.3398   33.8586  -45.3748 H   0  0  0  0  0
   -3.9253   33.2100  -43.9602 H   0  0  0  0  0
   -2.4196   28.8196  -51.8874 H   0  0  0  0  0
   -4.5028   28.3124  -51.4642 H   0  0  0  0  0
   -3.7253   26.4292  -49.2067 H   0  0  0  0  0
   -3.4931   26.0089  -50.8923 H   0  0  0  0  0
   -6.2107   26.9213  -49.8034 H   0  0  0  0  0
   -5.4439   25.2726  -52.2743 H   0  0  0  0  0
   -6.0028   26.9509  -52.2913 H   0  0  0  0  0
   -7.0925   25.6715  -51.7650 H   0  0  0  0  0
   -5.1386   24.0595  -49.9774 H   0  0  0  0  0
   -6.8031   24.5263  -49.5809 H   0  0  0  0  0
   -5.4829   24.9616  -48.4895 H   0  0  0  0  0
   -4.7494   30.8764  -48.8139 H   0  0  0  0  0
   -4.9288   32.1662  -50.6046 H   0  0  0  0  0
   -3.9441   30.1427  -52.6151 H   0  0  0  0  0
   -2.8030   31.0619  -51.6269 H   0  0  0  0  0
   -4.9681   32.4144  -53.2998 H   0  0  0  0  0
   -2.2828   33.4283  -52.2002 H   0  0  0  0  0
   -3.8669   33.8483  -51.5422 H   0  0  0  0  0
   -3.4302   34.3637  -53.1706 H   0  0  0  0  0
   -2.0961   31.7233  -54.1222 H   0  0  0  0  0
   -3.2222   32.7355  -55.0439 H   0  0  0  0  0
   -3.5739   31.0196  -54.8027 H   0  0  0  0  0
   -8.1550   30.4402  -50.8968 H   0  0  0  0  0
   -8.6877   32.2968  -49.8086 H   0  0  0  0  0
   -5.8444   32.8077  -48.8589 H   0  0  0  0  0
   -6.8825   31.6265  -48.0778 H   0  0  0  0  0
   -7.6063   34.5825  -48.4541 H   0  0  0  0  0
   -8.8467   32.3867  -46.7070 H   0  0  0  0  0
   -9.6210   33.2066  -48.0745 H   0  0  0  0  0
   -9.2514   34.1080  -46.6085 H   0  0  0  0  0
   -6.4109   33.1620  -46.0146 H   0  0  0  0  0
   -6.9670   34.8448  -46.0667 H   0  0  0  0  0
   -5.5824   34.3430  -47.0442 H   0  0  0  0  0
   -7.4179   33.7840  -52.9674 H   0  0  0  0  0
   -9.5039   33.2249  -53.6318 H   0  0  0  0  0
  -10.4933   32.4106  -50.8621 H   0  0  0  0  0
   -9.7744   31.2193  -51.9444 H   0  0  0  0  0
  -12.3323   31.3850  -54.1621 H   0  0  0  0  0
   -9.4513   36.6101  -52.2857 H   0  0  0  0  0
   -9.4861   37.0497  -54.3763 H   0  0  0  0  0
   -7.5189   35.1904  -54.4759 H   0  0  0  0  0
   -9.3639   34.4759  -56.8206 H   0  0  0  0  0
   -8.8773   33.3318  -55.5484 H   0  0  0  0  0
   -7.6845   34.0195  -56.6398 H   0  0  0  0  0
   -7.0266   36.2153  -56.3719 H   0  0  0  0  0
  -12.7924   35.9595  -55.2778 H   0  0  0  0  0
  -12.9923   38.0636  -55.6254 H   0  0  0  0  0
  -13.2887   38.1748  -53.3296 H   0  0  0  0  0
  -10.3089   38.6351  -52.9364 H   0  0  0  0  0
  -11.3497   37.3016  -52.3377 H   0  0  0  0  0
  -11.5325   38.8989  -51.6954 H   0  0  0  0  0
  -13.4340   40.2471  -54.6144 H   0  0  0  0  0
  -11.7323   40.6110  -54.3461 H   0  0  0  0  0
  -13.7406   40.3619  -52.0583 H   0  0  0  0  0
  -13.3323   41.8818  -52.8766 H   0  0  0  0  0
  -12.0869   41.0132  -51.9872 H   0  0  0  0  0
  -10.6505   39.1796  -57.6764 H   0  0  0  0  0
   21.1385   29.4218    2.3146 H   0  0  0  0  0
   20.0423   32.9012    2.0193 H   0  0  0  0  0
   18.5970   31.8794    4.0293 H   0  0  0  0  0
   18.6810   33.6115    3.7949 H   0  0  0  0  0
   19.3698   33.4615    6.0733 H   0  0  0  0  0
   20.3111   31.9969    5.7936 H   0  0  0  0  0
   21.0997   34.8160    5.2145 H   0  0  0  0  0
   22.1288   33.3816    5.4523 H   0  0  0  0  0
   23.5254   34.7420    1.1555 H   0  0  0  0  0
   21.6420   32.6305    0.7039 H   0  0  0  0  0
   22.7169   33.3955   -0.4129 H   0  0  0  0  0
   21.1043   34.6188   -1.3874 H   0  0  0  0  0
   19.8987   33.6693   -0.5129 H   0  0  0  0  0
   20.1016   36.3732   -0.1554 H   0  0  0  0  0
   19.7366   35.3173    1.2296 H   0  0  0  0  0
   24.1485   36.5556    1.9524 H   0  0  0  0  0
   23.3990   37.8157    2.9544 H   0  0  0  0  0
   24.3759   38.0587    0.1321 H   0  0  0  0  0
   24.1366   41.5989    2.1450 H   0  0  0  0  0
   22.0125   39.5378    2.9316 H   0  0  0  0  0
   21.7568   41.1622    2.3018 H   0  0  0  0  0
   22.5300   42.1420    4.3725 H   0  0  0  0  0
   21.8695   40.5962    5.0054 H   0  0  0  0  0
   25.6321   40.0579    3.5326 H   0  0  0  0  0
  1  2  1  0  0  0
  1328  1  0  0  0
  1329  1  0  0  0
  1330  1  0  0  0
  2  3  1  0  0  0
  2331  1  0  0  0
  2332  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3333  1  0  0  0
  4334  1  0  0  0
  4335  1  0  0  0
  4336  1  0  0  0
  5301  1  0  0  0
  5  6  1  0  0  0
  5337  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8338  1  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
  9339  1  0  0  0
 10 11  1  0  0  0
 10340  1  0  0  0
 10341  1  0  0  0
 11342  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14343  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15344  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 16345  1  0  0  0
 17346  1  0  0  0
 17347  1  0  0  0
 17348  1  0  0  0
 18 19  1  0  0  0
 18349  1  0  0  0
 18350  1  0  0  0
 19351  1  0  0  0
 19352  1  0  0  0
 19353  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22354  1  0  0  0
 23 28  1  0  0  0
 23 24  1  0  0  0
 23355  1  0  0  0
 24 25  1  0  0  0
 24356  1  0  0  0
 24357  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27358  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30 31  1  0  0  0
 30359  1  0  0  0
 31 36  1  0  0  0
 31 32  1  0  0  0
 31360  1  0  0  0
 32 33  1  0  0  0
 32361  1  0  0  0
 32362  1  0  0  0
 33 35  1  0  0  0
 33 34  1  0  0  0
 33363  1  0  0  0
 34364  1  0  0  0
 34365  1  0  0  0
 34366  1  0  0  0
 35367  1  0  0  0
 35368  1  0  0  0
 35369  1  0  0  0
 36 38  1  0  0  0
 36 37  2  0  0  0
 38 42  1  0  0  0
 38 39  1  0  0  0
 39 40  1  0  0  0
 39370  1  0  0  0
 39371  1  0  0  0
 40 41  1  0  0  0
 40372  1  0  0  0
 40373  1  0  0  0
 41 42  1  0  0  0
 41374  1  0  0  0
 41375  1  0  0  0
 42 43  1  0  0  0
 42376  1  0  0  0
 43 45  1  0  0  0
 43 44  2  0  0  0
 45 46  1  0  0  0
 45377  1  0  0  0
 46 52  1  0  0  0
 46 47  1  0  0  0
 46378  1  0  0  0
 47 48  1  0  0  0
 47379  1  0  0  0
 47380  1  0  0  0
 48 49  1  0  0  0
 48381  1  0  0  0
 48382  1  0  0  0
 49 51  1  0  0  0
 49 50  2  0  0  0
 51383  1  0  0  0
 51384  1  0  0  0
 52 54  1  0  0  0
 52 53  2  0  0  0
 54 55  1  0  0  0
 54385  1  0  0  0
 55 64  1  0  0  0
 55 56  1  0  0  0
 55386  1  0  0  0
 56 57  1  0  0  0
 56387  1  0  0  0
 56388  1  0  0  0
 57 58  2  0  0  0
 57 62  1  0  0  0
 58 59  1  0  0  0
 58389  1  0  0  0
 59 60  2  0  0  0
 59390  1  0  0  0
 60 61  1  0  0  0
 60 63  1  0  0  0
 61 62  2  0  0  0
 61391  1  0  0  0
 62392  1  0  0  0
 63393  1  0  0  0
 64 66  1  0  0  0
 64 65  2  0  0  0
 66 67  1  0  0  0
 66394  1  0  0  0
 67 72  1  0  0  0
 67 68  1  0  0  0
 67395  1  0  0  0
 68 69  1  0  0  0
 68396  1  0  0  0
 68397  1  0  0  0
 69 71  1  0  0  0
 69 70  1  0  0  0
 69398  1  0  0  0
 70399  1  0  0  0
 70400  1  0  0  0
 70401  1  0  0  0
 71402  1  0  0  0
 71403  1  0  0  0
 71404  1  0  0  0
 72 74  1  0  0  0
 72 73  2  0  0  0
 74 75  1  0  0  0
 74405  1  0  0  0
 75 80  1  0  0  0
 75 76  1  0  0  0
 75406  1  0  0  0
 76 77  1  0  0  0
 76407  1  0  0  0
 76408  1  0  0  0
 77 79  1  0  0  0
 77 78  1  0  0  0
 77409  1  0  0  0
 78410  1  0  0  0
 78411  1  0  0  0
 78412  1  0  0  0
 79413  1  0  0  0
 79414  1  0  0  0
 79415  1  0  0  0
 80 82  1  0  0  0
 80 81  2  0  0  0
 82 83  1  0  0  0
 82416  1  0  0  0
 83 91  1  0  0  0
 83 84  1  0  0  0
 83417  1  0  0  0
 84 85  1  0  0  0
 84418  1  0  0  0
 84419  1  0  0  0
 85 86  1  0  0  0
 85420  1  0  0  0
 85421  1  0  0  0
 86 87  1  0  0  0
 86422  1  0  0  0
 86423  1  0  0  0
 87 88  1  0  0  0
 87424  1  0  0  0
 88 90  1  0  0  0
 88 89  2  0  0  0
 89425  1  0  0  0
 90426  1  0  0  0
 90427  1  0  0  0
 91 93  1  0  0  0
 91 92  2  0  0  0
 93 94  1  0  0  0
 93428  1  0  0  0
 94100  1  0  0  0
 94 95  1  0  0  0
 94429  1  0  0  0
 95 96  1  0  0  0
 95430  1  0  0  0
 95431  1  0  0  0
 96 97  1  0  0  0
 96432  1  0  0  0
 96433  1  0  0  0
 97 98  1  0  0  0
 97434  1  0  0  0
 97435  1  0  0  0
 98 99  1  0  0  0
 98436  1  0  0  0
 98437  1  0  0  0
 99438  1  0  0  0
 99439  1  0  0  0
100102  1  0  0  0
100101  2  0  0  0
102103  1  0  0  0
102440  1  0  0  0
103108  1  0  0  0
103104  1  0  0  0
103441  1  0  0  0
104105  1  0  0  0
104442  1  0  0  0
104443  1  0  0  0
105106  1  0  0  0
105444  1  0  0  0
105445  1  0  0  0
106107  1  0  0  0
107446  1  0  0  0
107447  1  0  0  0
107448  1  0  0  0
108110  1  0  0  0
108109  2  0  0  0
110111  1  0  0  0
110449  1  0  0  0
111116  1  0  0  0
111112  1  0  0  0
111450  1  0  0  0
112114  1  0  0  0
112113  1  0  0  0
112451  1  0  0  0
113452  1  0  0  0
113453  1  0  0  0
113454  1  0  0  0
114115  1  0  0  0
114455  1  0  0  0
114456  1  0  0  0
115457  1  0  0  0
115458  1  0  0  0
115459  1  0  0  0
116118  1  0  0  0
116117  2  0  0  0
118119  1  0  0  0
118460  1  0  0  0
119125  1  0  0  0
119120  1  0  0  0
119461  1  0  0  0
120121  1  0  0  0
120462  1  0  0  0
120463  1  0  0  0
121122  1  0  0  0
121464  1  0  0  0
121465  1  0  0  0
122124  1  0  0  0
122123  2  0  0  0
124466  1  0  0  0
125127  1  0  0  0
125126  2  0  0  0
127128  1  0  0  0
127467  1  0  0  0
128133  1  0  0  0
128129  1  0  0  0
128468  1  0  0  0
129131  1  0  0  0
129130  1  0  0  0
129469  1  0  0  0
130470  1  0  0  0
130471  1  0  0  0
130472  1  0  0  0
131132  1  0  0  0
131473  1  0  0  0
131474  1  0  0  0
132475  1  0  0  0
132476  1  0  0  0
132477  1  0  0  0
133135  1  0  0  0
133134  2  0  0  0
135136  1  0  0  0
135478  1  0  0  0
136142  1  0  0  0
136137  1  0  0  0
136479  1  0  0  0
137138  1  0  0  0
137480  1  0  0  0
137481  1  0  0  0
138139  1  0  0  0
138482  1  0  0  0
138483  1  0  0  0
139141  1  0  0  0
139140  2  0  0  0
141484  1  0  0  0
142144  1  0  0  0
142143  2  0  0  0
144145  1  0  0  0
144485  1  0  0  0
145151  1  0  0  0
145146  1  0  0  0
145486  1  0  0  0
146147  1  0  0  0
146487  1  0  0  0
146488  1  0  0  0
147148  1  0  0  0
147489  1  0  0  0
147490  1  0  0  0
148149  1  0  0  0
148491  1  0  0  0
148492  1  0  0  0
149150  1  0  0  0
149493  1  0  0  0
149494  1  0  0  0
150495  1  0  0  0
150496  1  0  0  0
151153  1  0  0  0
151152  2  0  0  0
153154  1  0  0  0
153497  1  0  0  0
154160  1  0  0  0
154155  1  0  0  0
154498  1  0  0  0
155156  1  0  0  0
155499  1  0  0  0
155500  1  0  0  0
156157  1  0  0  0
156501  1  0  0  0
156502  1  0  0  0
157159  1  0  0  0
157158  2  0  0  0
159503  1  0  0  0
159504  1  0  0  0
160162  1  0  0  0
160161  2  0  0  0
162163  1  0  0  0
162505  1  0  0  0
163169  1  0  0  0
163164  1  0  0  0
163506  1  0  0  0
164165  1  0  0  0
164507  1  0  0  0
164508  1  0  0  0
165166  1  0  0  0
165509  1  0  0  0
165510  1  0  0  0
166168  1  0  0  0
166167  2  0  0  0
168511  1  0  0  0
169171  1  0  0  0
169170  2  0  0  0
171172  1  0  0  0
171512  1  0  0  0
172178  1  0  0  0
172173  1  0  0  0
172513  1  0  0  0
173174  1  0  0  0
173514  1  0  0  0
173515  1  0  0  0
174175  1  0  0  0
174516  1  0  0  0
174517  1  0  0  0
175176  1  0  0  0
175518  1  0  0  0
175519  1  0  0  0
176177  1  0  0  0
176520  1  0  0  0
176521  1  0  0  0
177522  1  0  0  0
177523  1  0  0  0
178180  1  0  0  0
178179  2  0  0  0
180181  1  0  0  0
180524  1  0  0  0
181187  1  0  0  0
181182  1  0  0  0
181525  1  0  0  0
182183  1  0  0  0
182526  1  0  0  0
182527  1  0  0  0
183184  1  0  0  0
183528  1  0  0  0
183529  1  0  0  0
184186  1  0  0  0
184185  2  0  0  0
186530  1  0  0  0
187189  1  0  0  0
187188  2  0  0  0
189190  1  0  0  0
189531  1  0  0  0
190196  1  0  0  0
190191  1  0  0  0
190532  1  0  0  0
191192  1  0  0  0
191533  1  0  0  0
191534  1  0  0  0
192193  1  0  0  0
192535  1  0  0  0
192536  1  0  0  0
193194  1  0  0  0
193537  1  0  0  0
193538  1  0  0  0
194195  1  0  0  0
194539  1  0  0  0
194540  1  0  0  0
195541  1  0  0  0
195542  1  0  0  0
196198  1  0  0  0
196197  2  0  0  0
198199  1  0  0  0
198543  1  0  0  0
199205  1  0  0  0
199200  1  0  0  0
199544  1  0  0  0
200201  1  0  0  0
200545  1  0  0  0
200546  1  0  0  0
201202  1  0  0  0
201547  1  0  0  0
201548  1  0  0  0
202204  1  0  0  0
202203  2  0  0  0
204549  1  0  0  0
204550  1  0  0  0
205207  1  0  0  0
205206  2  0  0  0
207208  1  0  0  0
207551  1  0  0  0
208214  1  0  0  0
208209  1  0  0  0
208552  1  0  0  0
209210  1  0  0  0
209553  1  0  0  0
209554  1  0  0  0
210211  1  0  0  0
210555  1  0  0  0
210556  1  0  0  0
211213  1  0  0  0
211212  2  0  0  0
213557  1  0  0  0
213558  1  0  0  0
214216  1  0  0  0
214215  2  0  0  0
216217  1  0  0  0
216559  1  0  0  0
217219  1  0  0  0
217218  1  0  0  0
217560  1  0  0  0
218561  1  0  0  0
218562  1  0  0  0
218563  1  0  0  0
219221  1  0  0  0
219220  2  0  0  0
221222  1  0  0  0
221564  1  0  0  0
222224  1  0  0  0
222223  1  0  0  0
222565  1  0  0  0
223566  1  0  0  0
223567  1  0  0  0
223568  1  0  0  0
224226  1  0  0  0
224225  2  0  0  0
226227  1  0  0  0
226569  1  0  0  0
227232  1  0  0  0
227228  1  0  0  0
227570  1  0  0  0
228229  1  0  0  0
228571  1  0  0  0
228572  1  0  0  0
229231  1  0  0  0
229230  2  0  0  0
231573  1  0  0  0
231574  1  0  0  0
232234  1  0  0  0
232233  2  0  0  0
234235  1  0  0  0
234575  1  0  0  0
235240  1  0  0  0
235236  1  0  0  0
235576  1  0  0  0
236237  1  0  0  0
236577  1  0  0  0
236578  1  0  0  0
237239  1  0  0  0
237238  2  0  0  0
239579  1  0  0  0
239580  1  0  0  0
240242  1  0  0  0
240241  2  0  0  0
242243  1  0  0  0
242581  1  0  0  0
243251  1  0  0  0
243244  1  0  0  0
243582  1  0  0  0
244245  1  0  0  0
244583  1  0  0  0
244584  1  0  0  0
245246  1  0  0  0
245585  1  0  0  0
245586  1  0  0  0
246247  1  0  0  0
246587  1  0  0  0
246588  1  0  0  0
247248  1  0  0  0
247589  1  0  0  0
248250  1  0  0  0
248249  2  0  0  0
249590  1  0  0  0
250591  1  0  0  0
250592  1  0  0  0
251253  1  0  0  0
251252  2  0  0  0
253254  1  0  0  0
253593  1  0  0  0
254259  1  0  0  0
254255  1  0  0  0
254594  1  0  0  0
255256  1  0  0  0
255595  1  0  0  0
255596  1  0  0  0
256258  1  0  0  0
256257  1  0  0  0
256597  1  0  0  0
257598  1  0  0  0
257599  1  0  0  0
257600  1  0  0  0
258601  1  0  0  0
258602  1  0  0  0
258603  1  0  0  0
259261  1  0  0  0
259260  2  0  0  0
261262  1  0  0  0
261604  1  0  0  0
262267  1  0  0  0
262263  1  0  0  0
262605  1  0  0  0
263264  1  0  0  0
263606  1  0  0  0
263607  1  0  0  0
264266  1  0  0  0
264265  1  0  0  0
264608  1  0  0  0
265609  1  0  0  0
265610  1  0  0  0
265611  1  0  0  0
266612  1  0  0  0
266613  1  0  0  0
266614  1  0  0  0
267269  1  0  0  0
267268  2  0  0  0
269270  1  0  0  0
269615  1  0  0  0
270275  1  0  0  0
270271  1  0  0  0
270616  1  0  0  0
271272  1  0  0  0
271617  1  0  0  0
271618  1  0  0  0
272274  1  0  0  0
272273  1  0  0  0
272619  1  0  0  0
273620  1  0  0  0
273621  1  0  0  0
273622  1  0  0  0
274623  1  0  0  0
274624  1  0  0  0
274625  1  0  0  0
275277  1  0  0  0
275276  2  0  0  0
277278  1  0  0  0
277626  1  0  0  0
278283  1  0  0  0
278279  1  0  0  0
278627  1  0  0  0
279280  1  0  0  0
279628  1  0  0  0
279629  1  0  0  0
280282  1  0  0  0
280281  2  0  0  0
282630  1  0  0  0
283285  1  0  0  0
283284  2  0  0  0
285286  1  0  0  0
285631  1  0  0  0
286290  1  0  0  0
286287  1  0  0  0
286632  1  0  0  0
287289  1  0  0  0
287288  1  0  0  0
287633  1  0  0  0
288634  1  0  0  0
288635  1  0  0  0
288636  1  0  0  0
289637  1  0  0  0
290292  1  0  0  0
290291  2  0  0  0
292293  1  0  0  0
292638  1  0  0  0
293298  1  0  0  0
293294  1  0  0  0
293639  1  0  0  0
294296  1  0  0  0
294295  1  0  0  0
294640  1  0  0  0
295641  1  0  0  0
295642  1  0  0  0
295643  1  0  0  0
296297  1  0  0  0
296644  1  0  0  0
296645  1  0  0  0
297646  1  0  0  0
297647  1  0  0  0
297648  1  0  0  0
298300  1  0  0  0
298299  2  0  0  0
300649  1  0  0  0
301302  1  0  0  0
301650  1  0  0  0
302304  1  0  0  0
302303  2  0  0  0
304308  1  0  0  0
304305  1  0  0  0
304651  1  0  0  0
305306  1  0  0  0
305652  1  0  0  0
305653  1  0  0  0
306307  1  0  0  0
306654  1  0  0  0
306655  1  0  0  0
307308  1  0  0  0
307656  1  0  0  0
307657  1  0  0  0
308309  1  0  0  0
309311  1  0  0  0
309310  2  0  0  0
311315  1  0  0  0
311312  1  0  0  0
311658  1  0  0  0
312313  1  0  0  0
312659  1  0  0  0
312660  1  0  0  0
313314  1  0  0  0
313661  1  0  0  0
313662  1  0  0  0
314315  1  0  0  0
314663  1  0  0  0
314664  1  0  0  0
315316  1  0  0  0
316318  1  0  0  0
316317  2  0  0  0
318319  1  0  0  0
318665  1  0  0  0
318666  1  0  0  0
319320  1  0  0  0
319667  1  0  0  0
320322  1  0  0  0
320321  2  0  0  0
322327  1  0  0  0
322323  1  0  0  0
322668  1  0  0  0
323324  1  0  0  0
323669  1  0  0  0
323670  1  0  0  0
324325  1  0  0  0
324671  1  0  0  0
324672  1  0  0  0
325327  1  0  0  0
325326  2  0  0  0
327673  1  0  0  0
M  END

>  <Chemical Name>
BDBM50158966

>  <PubChem CID>
91933190

>  <Formula>
C207H346N56O63S

>  <Molecular Weight>
4659.434000

>  <IUPAC Name>
(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S,3S)-2-[[(2S)-3-hydroxy-2-[[(2S,3S)-3-methyl-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid

>  <XlogP>
-18.6

>  <Hydrogen Bond Donors>
63

>  <Hydrogen Bond Acceptors>
70

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C3CCCN3C(=O)C4CCCN4C(=O)CNC(=O)C5CCC(=O)N5

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@@H]5CCC(=O)N5

>  <InChI Std. ID>
InChI=1S/C207H346N56O63S/c1-27-106(18)161(255-183(303)130(66-75-158(281)282)242-199(319)162(107(19)28-2)256-184(304)131(76-86-327-26)239-174(294)119(48-35-39-80-211)228-175(295)120(49-40-81-222-206(218)219)232-185(305)132(87-100(6)7)245-188(308)135(90-103(12)13)248-190(310)137(93-114-54-56-115(266)57-55-114)249-182(302)126(61-70-150(215)270)240-196(316)144-51-42-84-262(144)203(323)142(92-105(16)17)253-193(313)140(96-159(283)284)252-200(320)163(108(20)29-3)257-195(315)143(99-264)254-201(321)164(109(21)30-4)258-197(317)145-52-43-85-263(145)204(324)146-53-44-83-261(146)154(274)98-224-169(289)122-62-71-153(273)227-122)198(318)241-129(65-74-157(279)280)181(301)231-117(46-33-37-78-209)172(292)236-125(60-69-149(214)269)178(298)238-128(64-73-156(277)278)180(300)230-118(47-34-38-79-210)173(293)237-127(63-72-155(275)276)179(299)229-116(45-32-36-77-208)171(291)235-124(59-68-148(213)268)177(297)234-123(58-67-147(212)267)170(290)226-111(23)167(287)225-112(24)168(288)243-138(94-151(216)271)192(312)250-139(95-152(217)272)191(311)233-121(50-41-82-223-207(220)221)176(296)244-133(88-101(8)9)186(306)246-134(89-102(10)11)187(307)247-136(91-104(14)15)189(309)251-141(97-160(285)286)194(314)260-166(113(25)265)202(322)259-165(205(325)326)110(22)31-5/h54-57,100-113,116-146,161-166,264-266H,27-53,58-99,208-211H2,1-26H3,(H2,212,267)(H2,213,268)(H2,214,269)(H2,215,270)(H2,216,271)(H2,217,272)(H,224,289)(H,225,287)(H,226,290)(H,227,273)(H,228,295)(H,229,299)(H,230,300)(H,231,301)(H,232,305)(H,233,311)(H,234,297)(H,235,291)(H,236,292)(H,237,293)(H,238,298)(H,239,294)(H,240,316)(H,241,318)(H,242,319)(H,243,288)(H,244,296)(H,245,308)(H,246,306)(H,247,307)(H,248,310)(H,249,302)(H,250,312)(H,251,309)(H,252,320)(H,253,313)(H,254,321)(H,255,303)(H,256,304)(H,257,315)(H,258,317)(H,259,322)(H,260,314)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,325,326)(H4,218,219,222)(H4,220,221,223)/t106-,107-,108-,109-,110-,111-,112-,113+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,161-,162-,163-,164-,165-,166-/m0/s1

>  <InChI Key>
ZPIZBWAGCHIUJU-POEQMZABSA-N

