
 BDBM50158968

678683  0  0  0  0  0  0  0  0999 V2000
   37.2114  -14.4410  -48.9372 C   0  0  0  0  0
   36.5702  -15.8223  -48.9409 C   0  0  0  0  0
   35.0207  -15.7969  -48.8905 C   0  0  0  0  0
   34.4395  -15.1373  -50.1462 C   0  0  0  0  0
   34.4877  -17.2347  -48.6323 C   0  0  0  0  0
   34.4901  -17.5743  -47.1218 C   0  0  0  0  0
   35.4149  -18.2716  -46.6780 O   0  0  0  0  0
   33.6272  -17.1095  -46.1933 N   0  0  0  0  0
   32.4216  -16.2599  -46.0894 C   0  0  0  0  0
   32.4329  -14.9180  -46.8265 C   0  0  0  0  0
   33.4257  -14.0501  -46.2869 O   0  0  0  0  0
   31.1321  -16.9939  -46.4721 C   0  0  0  0  0
   31.0453  -17.5549  -47.5681 O   0  0  0  0  0
   30.0019  -16.9279  -45.7100 N   0  0  0  0  0
   29.8027  -16.6566  -44.2698 C   0  0  0  0  0
   30.0972  -17.8996  -43.3811 C   0  0  0  0  0
   31.5611  -18.3459  -43.3736 C   0  0  0  0  0
   29.5521  -17.6872  -41.9485 C   0  0  0  0  0
   29.4738  -18.9673  -41.1263 C   0  0  0  0  0
   30.4198  -15.3204  -43.8121 C   0  0  0  0  0
   31.2761  -15.2557  -42.9279 O   0  0  0  0  0
   30.1125  -14.1473  -44.4388 N   0  0  0  0  0
   28.8137  -13.6419  -44.9287 C   0  0  0  0  0
   28.0381  -14.5094  -45.9089 C   0  0  0  0  0
   27.0284  -13.6429  -46.6015 C   0  0  0  0  0
   25.9172  -13.3626  -46.1864 O   0  0  0  0  0
   27.5112  -13.1055  -47.7372 O   0  0  0  0  0
   27.9814  -13.3239  -43.6764 C   0  0  0  0  0
   27.4131  -14.2315  -43.0596 O   0  0  0  0  0
   27.9747  -12.0802  -43.1170 N   0  0  0  0  0
   28.4909  -10.7703  -43.5691 C   0  0  0  0  0
   30.0024  -10.7622  -43.8519 C   0  0  0  0  0
   30.6658   -9.3723  -43.7527 C   0  0  0  0  0
   30.7035   -8.8422  -42.3174 C   0  0  0  0  0
   32.0953   -9.4431  -44.3002 C   0  0  0  0  0
   27.6218  -10.3039  -44.7643 C   0  0  0  0  0
   27.7792  -10.8028  -45.8839 O   0  0  0  0  0
   26.5630   -9.4576  -44.5131 N   0  0  0  0  0
   25.5818   -9.1768  -45.5496 C   0  0  0  0  0
   24.6895   -8.0863  -44.9727 C   0  0  0  0  0
   24.8693   -8.2509  -43.4683 C   0  0  0  0  0
   26.3471   -8.5954  -43.3326 C   0  0  0  0  0
   27.3321   -7.3966  -43.4493 C   0  0  0  0  0
   28.0164   -7.2169  -44.4650 O   0  0  0  0  0
   27.6244   -6.5551  -42.4207 N   0  0  0  0  0
   26.7411   -5.8365  -41.4924 C   0  0  0  0  0
   25.7535   -4.9179  -42.2301 C   0  0  0  0  0
   26.4677   -3.8155  -43.0178 C   0  0  0  0  0
   25.5696   -2.6171  -43.2048 C   0  0  0  0  0
   24.8912   -2.4297  -44.2064 O   0  0  0  0  0
   25.5354   -1.7629  -42.1439 N   0  0  0  0  0
   26.0732   -6.7026  -40.4067 C   0  0  0  0  0
   25.7940   -7.8884  -40.5956 O   0  0  0  0  0
   25.6897   -6.1737  -39.2104 N   0  0  0  0  0
   26.1994   -5.0263  -38.4292 C   0  0  0  0  0
   27.6972   -5.1401  -38.0836 C   0  0  0  0  0
   28.0607   -4.2987  -36.8668 C   0  0  0  0  0
   27.6822   -4.8067  -35.6078 C   0  0  0  0  0
   27.9170   -4.0883  -34.4420 C   0  0  0  0  0
   28.5398   -2.8482  -34.5102 C   0  0  0  0  0
   28.9399   -2.3117  -35.7412 C   0  0  0  0  0
   29.5723   -1.0582  -35.7740 C   0  0  0  0  0
   29.9869   -0.4939  -36.9773 C   0  0  0  0  0
   29.7697   -1.1766  -38.1644 C   0  0  0  0  0
   29.1420   -2.4255  -38.1475 C   0  0  0  0  0
   28.7075   -3.0307  -36.9447 C   0  0  0  0  0
   25.8489   -3.6808  -39.0804 C   0  0  0  0  0
   26.5785   -3.1588  -39.9310 O   0  0  0  0  0
   24.6582   -3.0704  -38.8470 N   0  0  0  0  0
   23.5795   -3.3429  -37.8893 C   0  0  0  0  0
   22.8636   -4.6737  -38.1801 C   0  0  0  0  0
   21.4568   -4.7824  -37.5521 C   0  0  0  0  0
   20.4486   -3.8396  -38.2130 C   0  0  0  0  0
   20.9525   -6.2242  -37.6669 C   0  0  0  0  0
   24.0933   -3.2239  -36.4363 C   0  0  0  0  0
   24.2601   -4.2297  -35.7370 O   0  0  0  0  0
   24.4335   -2.0335  -35.8742 N   0  0  0  0  0
   24.2725   -0.6281  -36.2845 C   0  0  0  0  0
   25.0325   -0.2514  -37.5644 C   0  0  0  0  0
   25.3525    1.2565  -37.6638 C   0  0  0  0  0
   26.5202    1.6551  -36.7593 C   0  0  0  0  0
   25.6904    1.6231  -39.1121 C   0  0  0  0  0
   22.7692   -0.3098  -36.3793 C   0  0  0  0  0
   22.1513   -0.4275  -37.4425 O   0  0  0  0  0
   22.0284   -0.0078  -35.2825 N   0  0  0  0  0
   22.3955    0.4653  -33.9414 C   0  0  0  0  0
   23.1945   -0.5637  -33.1288 C   0  0  0  0  0
   23.1090   -0.2852  -31.6235 C   0  0  0  0  0
   23.9887   -1.2533  -30.8321 C   0  0  0  0  0
   23.8620   -1.0002  -29.4056 N   0  0  0  0  0
   22.8512   -1.5337  -28.6815 C   0  0  0  0  0
   21.8804   -2.2199  -29.1573 N   0  0  0  0  0
   22.9836   -1.2417  -27.3728 N   0  0  0  0  0
   23.1089    1.8319  -34.0570 C   0  0  0  0  0
   24.3403    1.9131  -33.9801 O   0  0  0  0  0
   22.4448    2.9843  -34.3525 N   0  0  0  0  0
   21.0203    3.3485  -34.2958 C   0  0  0  0  0
   20.1013    2.4866  -35.1679 C   0  0  0  0  0
   18.8477    3.2486  -35.6142 C   0  0  0  0  0
   17.9382    2.3717  -36.4771 C   0  0  0  0  0
   16.7085    3.1493  -36.9434 C   0  0  0  0  0
   15.8560    2.3000  -37.7660 N   0  0  0  0  0
   20.6083    3.3765  -32.8135 C   0  0  0  0  0
   20.3627    2.3300  -32.2059 O   0  0  0  0  0
   20.6180    4.5277  -32.0870 N   0  0  0  0  0
   20.6999    5.9351  -32.4735 C   0  0  0  0  0
   21.9927    6.3356  -33.2038 C   0  0  0  0  0
   22.1568    7.8590  -33.2290 C   0  0  0  0  0
   23.7576    8.3016  -33.9731 S   0  0  0  0  0
   23.5352   10.0967  -34.0281 C   0  0  0  0  0
   19.4167    6.3583  -33.2135 C   0  0  0  0  0
   19.3560    6.3365  -34.4456 O   0  0  0  0  0
   18.3120    6.7910  -32.5405 N   0  0  0  0  0
   17.7593    6.4717  -31.2041 C   0  0  0  0  0
   16.7521    5.2825  -31.2477 C   0  0  0  0  0
   17.3609    3.9397  -31.6415 C   0  0  0  0  0
   15.9638    5.1834  -29.9215 C   0  0  0  0  0
   14.7982    4.2041  -29.9692 C   0  0  0  0  0
   18.7841    6.4202  -30.0504 C   0  0  0  0  0
   19.2971    5.3538  -29.6930 O   0  0  0  0  0
   19.2990    7.5474  -29.4830 N   0  0  0  0  0
   18.9349    8.9764  -29.5577 C   0  0  0  0  0
   18.8956    9.5015  -30.9988 C   0  0  0  0  0
   19.1142   11.0056  -31.1137 C   0  0  0  0  0
   19.3231   11.4348  -32.5399 C   0  0  0  0  0
   19.7711   10.7589  -33.4493 O   0  0  0  0  0
   19.0222   12.7351  -32.7198 O   0  0  0  0  0
   17.6232    9.1910  -28.7711 C   0  0  0  0  0
   16.6085    8.5444  -29.0523 O   0  0  0  0  0
   17.4923   10.0886  -27.7595 N   0  0  0  0  0
   18.4338   10.8858  -26.9520 C   0  0  0  0  0
   19.1556   10.0974  -25.8242 C   0  0  0  0  0
   20.0286    8.9364  -26.2928 C   0  0  0  0  0
   19.9405   11.0709  -24.9115 C   0  0  0  0  0
   20.3827   10.4553  -23.5903 C   0  0  0  0  0
   19.3026   11.7987  -27.8298 C   0  0  0  0  0
   20.4851   11.5404  -28.0672 O   0  0  0  0  0
   18.7706   12.8712  -28.4836 N   0  0  0  0  0
   17.5753   13.6929  -28.2386 C   0  0  0  0  0
   16.2280   12.9573  -28.2688 C   0  0  0  0  0
   15.0381   13.9210  -28.1759 C   0  0  0  0  0
   14.0707   13.5094  -27.0938 C   0  0  0  0  0
   12.9375   13.1115  -27.3197 O   0  0  0  0  0
   14.5640   13.6150  -25.8412 O   0  0  0  0  0
   17.7969   14.4670  -26.9288 C   0  0  0  0  0
   17.1582   14.1610  -25.9135 O   0  0  0  0  0
   18.7207   15.4666  -26.8270 N   0  0  0  0  0
   19.1283   16.4593  -27.8417 C   0  0  0  0  0
   19.8440   15.9083  -29.0805 C   0  0  0  0  0
   20.5690   17.0059  -29.8707 C   0  0  0  0  0
   21.2408   16.4364  -31.1232 C   0  0  0  0  0
   21.9256   17.5366  -31.9324 C   0  0  0  0  0
   22.5438   16.9694  -33.1246 N   0  0  0  0  0
   17.8603   17.2628  -28.1894 C   0  0  0  0  0
   16.9754   16.7679  -28.8957 O   0  0  0  0  0
   17.5995   18.4732  -27.6298 N   0  0  0  0  0
   18.4298   19.3774  -26.8237 C   0  0  0  0  0
   18.8027   18.8019  -25.4546 C   0  0  0  0  0
   19.2548   19.8987  -24.4864 C   0  0  0  0  0
   19.6282   19.3213  -23.1398 C   0  0  0  0  0
   19.5828   18.1300  -22.8603 O   0  0  0  0  0
   20.0311   20.2482  -22.2257 N   0  0  0  0  0
   19.6358   19.8129  -27.6757 C   0  0  0  0  0
   20.7684   19.3705  -27.4650 O   0  0  0  0  0
   19.4830   20.6112  -28.7729 N   0  0  0  0  0
   18.5198   21.6989  -29.0112 C   0  0  0  0  0
   17.0458   21.2915  -29.0523 C   0  0  0  0  0
   16.1823   22.3349  -29.7706 C   0  0  0  0  0
   14.7110   22.0112  -29.7788 C   0  0  0  0  0
   13.8292   22.7609  -30.1659 O   0  0  0  0  0
   14.4044   20.7760  -29.3450 O   0  0  0  0  0
   18.8336   22.7687  -27.9519 C   0  0  0  0  0
   18.3578   22.6909  -26.8138 O   0  0  0  0  0
   19.7791   23.7254  -28.1631 N   0  0  0  0  0
   20.3835   24.2415  -29.4004 C   0  0  0  0  0
   21.1735   23.2158  -30.2257 C   0  0  0  0  0
   22.1696   23.8981  -31.1736 C   0  0  0  0  0
   22.9494   22.8737  -32.0011 C   0  0  0  0  0
   23.9259   23.5641  -32.9526 C   0  0  0  0  0
   24.6634   22.5696  -33.7238 N   0  0  0  0  0
   19.2567   24.9365  -30.1850 C   0  0  0  0  0
   18.4875   24.2903  -30.9030 O   0  0  0  0  0
   18.9628   26.2528  -29.9934 N   0  0  0  0  0
   19.7674   27.3424  -29.4250 C   0  0  0  0  0
   20.0573   27.2047  -27.9267 C   0  0  0  0  0
   20.4437   28.5540  -27.3093 C   0  0  0  0  0
   20.8722   28.4552  -25.8701 C   0  0  0  0  0
   21.5722   29.2636  -25.2824 O   0  0  0  0  0
   20.3537   27.4060  -25.2074 O   0  0  0  0  0
   21.0257   27.4657  -30.3002 C   0  0  0  0  0
   22.1051   26.9813  -29.9500 O   0  0  0  0  0
   20.9573   27.9731  -31.5669 N   0  0  0  0  0
   20.1341   29.0921  -32.0490 C   0  0  0  0  0
   18.6259   28.8283  -32.1236 C   0  0  0  0  0
   17.9443   29.7940  -33.1040 C   0  0  0  0  0
   16.4398   29.5338  -33.1961 C   0  0  0  0  0
   15.7784   30.4843  -34.1933 C   0  0  0  0  0
   14.3449   30.2311  -34.2566 N   0  0  0  0  0
   20.5245   30.2959  -31.1757 C   0  0  0  0  0
   19.9352   30.5315  -30.1164 O   0  0  0  0  0
   21.6556   31.0151  -31.4305 N   0  0  0  0  0
   22.3840   31.2374  -32.6872 C   0  0  0  0  0
   23.0006   29.9955  -33.3377 C   0  0  0  0  0
   24.1150   30.3649  -34.3194 C   0  0  0  0  0
   24.6134   29.1247  -35.0199 C   0  0  0  0  0
   25.5106   28.4172  -34.5790 O   0  0  0  0  0
   23.9390   28.7900  -36.1551 N   0  0  0  0  0
   21.4146   32.0024  -33.6037 C   0  0  0  0  0
   20.6566   31.4039  -34.3728 O   0  0  0  0  0
   21.2476   33.3531  -33.4816 N   0  0  0  0  0
   22.2217   34.3692  -33.0548 C   0  0  0  0  0
   22.6060   34.3369  -31.5729 C   0  0  0  0  0
   23.2342   35.6621  -31.1338 C   0  0  0  0  0
   23.5861   35.6195  -29.6674 C   0  0  0  0  0
   22.8797   36.1043  -28.7926 O   0  0  0  0  0
   24.7308   34.9455  -29.3650 N   0  0  0  0  0
   23.4051   34.2243  -34.0240 C   0  0  0  0  0
   24.4101   33.5747  -33.7231 O   0  0  0  0  0
   23.2879   34.6310  -35.3275 N   0  0  0  0  0
   22.7313   35.9106  -35.7924 C   0  0  0  0  0
   21.2349   36.1206  -35.6196 C   0  0  0  0  0
   23.5946   36.9707  -35.1002 C   0  0  0  0  0
   23.3096   37.3947  -33.9760 O   0  0  0  0  0
   24.8326   37.2812  -35.5897 N   0  0  0  0  0
   25.2628   37.3854  -36.9908 C   0  0  0  0  0
   25.2907   36.0990  -37.8037 C   0  0  0  0  0
   24.3841   38.4850  -37.6028 C   0  0  0  0  0
   23.2429   38.2380  -38.0078 O   0  0  0  0  0
   24.7353   39.8019  -37.5092 N   0  0  0  0  0
   26.0777   40.4138  -37.4611 C   0  0  0  0  0
   26.9502   40.0287  -36.2688 C   0  0  0  0  0
   27.8555   41.1656  -35.8623 C   0  0  0  0  0
   29.0016   41.2872  -36.2790 O   0  0  0  0  0
   27.3220   42.0648  -34.9897 N   0  0  0  0  0
   26.7175   40.0484  -38.8118 C   0  0  0  0  0
   27.0296   38.8806  -39.0676 O   0  0  0  0  0
   26.8232   40.9530  -39.8212 N   0  0  0  0  0
   26.6353   42.4155  -39.8507 C   0  0  0  0  0
   25.1682   42.8345  -39.7812 C   0  0  0  0  0
   25.0089   44.2870  -40.1725 C   0  0  0  0  0
   25.9321   45.0376  -40.4655 O   0  0  0  0  0
   23.7186   44.7277  -40.1848 N   0  0  0  0  0
   27.4901   43.0148  -38.7230 C   0  0  0  0  0
   26.9709   43.4816  -37.7045 O   0  0  0  0  0
   28.8488   42.8943  -38.7585 N   0  0  0  0  0
   29.7424   42.9048  -39.9211 C   0  0  0  0  0
   29.7951   41.5968  -40.7170 C   0  0  0  0  0
   31.0785   41.5052  -41.5568 C   0  0  0  0  0
   31.0865   40.2472  -42.4227 C   0  0  0  0  0
   32.2852   40.2014  -43.2379 N   0  0  0  0  0
   33.4537   39.6437  -42.8567 C   0  0  0  0  0
   33.8293   39.2808  -41.6887 N   0  0  0  0  0
   34.2929   39.4902  -43.8981 N   0  0  0  0  0
   29.3449   44.1232  -40.7709 C   0  0  0  0  0
   28.8634   44.0012  -41.9000 O   0  0  0  0  0
   29.4274   45.3815  -40.2383 N   0  0  0  0  0
   30.5552   45.9208  -39.4659 C   0  0  0  0  0
   30.6624   45.4436  -38.0106 C   0  0  0  0  0
   31.5062   46.3942  -37.1295 C   0  0  0  0  0
   30.7242   47.6506  -36.7349 C   0  0  0  0  0
   31.9654   45.6699  -35.8614 C   0  0  0  0  0
   31.8061   45.6168  -40.3092 C   0  0  0  0  0
   32.5293   44.6444  -40.0772 O   0  0  0  0  0
   32.0513   46.3044  -41.4620 N   0  0  0  0  0
   31.7888   47.7179  -41.7536 C   0  0  0  0  0
   30.3091   48.1023  -41.9130 C   0  0  0  0  0
   30.0914   49.4059  -42.7150 C   0  0  0  0  0
   30.2613   49.1856  -44.2204 C   0  0  0  0  0
   28.6861   49.9553  -42.4482 C   0  0  0  0  0
   32.5342   48.4988  -40.6508 C   0  0  0  0  0
   31.9623   48.8915  -39.6316 O   0  0  0  0  0
   33.8938   48.6440  -40.6982 N   0  0  0  0  0
   34.7531   48.7096  -41.8889 C   0  0  0  0  0
   35.0266   47.3450  -42.5365 C   0  0  0  0  0
   36.2753   47.3005  -43.4440 C   0  0  0  0  0
   37.5769   47.5048  -42.6665 C   0  0  0  0  0
   36.3266   45.9516  -44.1709 C   0  0  0  0  0
   34.0955   49.7406  -42.8206 C   0  0  0  0  0
   33.7228   49.4753  -43.9632 O   0  0  0  0  0
   33.7870   50.9907  -42.3264 N   0  0  0  0  0
   34.8226   51.9467  -41.8726 C   0  0  0  0  0
   35.5304   51.5969  -40.5750 C   0  0  0  0  0
   36.0892   52.8490  -39.9696 C   0  0  0  0  0
   37.1955   53.3096  -40.1710 O   0  0  0  0  0
   35.2151   53.4659  -39.1540 O   0  0  0  0  0
   35.7543   52.0175  -43.0831 C   0  0  0  0  0
   36.7130   51.2472  -43.1906 O   0  0  0  0  0
   35.3759   52.7137  -44.1941 N   0  0  0  0  0
   34.6601   54.0000  -44.3516 C   0  0  0  0  0
   33.1122   53.9290  -44.2427 C   0  0  0  0  0
   32.4334   54.5282  -43.0180 C   0  0  0  0  0
   32.5496   54.6093  -45.3793 O   0  0  0  0  0
   35.3770   55.0570  -43.4964 C   0  0  0  0  0
   35.2768   55.0318  -42.2630 O   0  0  0  0  0
   36.2314   55.9821  -44.0106 N   0  0  0  0  0
   36.6641   56.3798  -45.3639 C   0  0  0  0  0
   37.7987   55.5543  -46.0428 C   0  0  0  0  0
   37.4944   54.0778  -46.2428 C   0  0  0  0  0
   38.2430   56.2288  -47.3654 C   0  0  0  0  0
   39.3821   55.5216  -48.0899 C   0  0  0  0  0
   35.4989   56.7665  -46.2819 C   0  0  0  0  0
   34.8782   56.0317  -47.0303 O   0  0  0  0  0
   35.1578   58.0678  -46.1651 O   0  0  0  0  0
   33.2206  -17.5857  -49.2853 N   0  0  0  0  0
   33.0948  -18.8527  -49.8217 C   0  0  0  0  0
   32.3752  -19.6661  -49.2373 O   0  0  0  0  0
   33.6348  -19.1289  -51.2600 C   0  0  0  0  0
   35.0912  -18.7753  -51.5373 C   0  0  0  0  0
   35.8541  -19.9600  -50.9630 C   0  0  0  0  0
   34.9458  -21.1412  -51.2652 C   0  0  0  0  0
   33.6202  -20.5789  -51.5018 N   0  0  0  0  0
   32.5861  -21.4440  -51.7621 C   0  0  0  0  0
   32.8275  -22.6650  -51.7701 O   0  0  0  0  0
   31.1738  -21.0248  -52.2583 C   0  0  0  0  0
   30.5881  -19.6298  -52.0882 C   0  0  0  0  0
   30.7239  -18.9258  -53.4430 C   0  0  0  0  0
   31.3310  -19.9497  -54.3856 C   0  0  0  0  0
   31.1512  -21.2172  -53.7147 N   0  0  0  0  0
   31.0539  -22.3868  -54.4357 C   0  0  0  0  0
   31.1108  -22.3624  -55.6713 O   0  0  0  0  0
   30.8485  -23.7266  -53.6976 C   0  0  0  0  0
   29.8449  -24.5030  -54.4180 N   0  0  0  0  0
   29.9947  -25.3765  -55.4480 C   0  0  0  0  0
   28.9824  -25.6399  -56.1083 O   0  0  0  0  0
   31.3216  -26.0745  -55.7776 C   0  0  0  0  0
   32.5091  -25.2424  -56.2258 C   0  0  0  0  0
   33.6979  -26.1714  -55.9724 C   0  0  0  0  0
   33.2091  -27.0612  -54.8544 C   0  0  0  0  0
   33.8685  -27.8823  -54.2427 O   0  0  0  0  0
   31.8592  -26.8391  -54.6822 N   0  0  0  0  0
   38.2999  -14.5355  -48.8642 H   0  0  0  0  0
   36.8666  -13.8495  -48.0832 H   0  0  0  0  0
   36.9909  -13.8903  -49.8557 H   0  0  0  0  0
   36.9521  -16.3673  -48.0690 H   0  0  0  0  0
   36.9098  -16.3698  -49.8281 H   0  0  0  0  0
   34.7669  -15.1639  -48.0395 H   0  0  0  0  0
   34.7568  -15.6510  -51.0578 H   0  0  0  0  0
   34.7593  -14.0933  -50.2242 H   0  0  0  0  0
   33.3455  -15.1235  -50.1246 H   0  0  0  0  0
   35.2268  -17.9324  -49.0351 H   0  0  0  0  0
   33.9096  -17.4874  -45.2953 H   0  0  0  0  0
   32.4041  -16.0424  -45.0234 H   0  0  0  0  0
   31.4680  -14.4116  -46.7261 H   0  0  0  0  0
   32.5992  -15.0461  -47.8961 H   0  0  0  0  0
   33.3865  -13.2170  -46.7883 H   0  0  0  0  0
   29.2686  -17.4878  -46.1326 H   0  0  0  0  0
   28.7209  -16.5081  -44.1808 H   0  0  0  0  0
   29.5262  -18.7319  -43.8184 H   0  0  0  0  0
   32.2246  -17.5836  -42.9574 H   0  0  0  0  0
   31.9024  -18.5915  -44.3818 H   0  0  0  0  0
   31.6936  -19.2562  -42.7809 H   0  0  0  0  0
   28.5405  -17.2661  -42.0049 H   0  0  0  0  0
   30.1664  -16.9616  -41.4045 H   0  0  0  0  0
   28.8960  -19.7362  -41.6485 H   0  0  0  0  0
   28.9805  -18.7664  -40.1696 H   0  0  0  0  0
   30.4672  -19.3672  -40.9049 H   0  0  0  0  0
   30.6780  -13.4232  -44.0101 H   0  0  0  0  0
   29.0739  -12.7249  -45.4489 H   0  0  0  0  0
   27.4914  -15.3336  -45.4434 H   0  0  0  0  0
   28.6945  -14.9354  -46.6739 H   0  0  0  0  0
   26.8706  -12.3919  -47.9495 H   0  0  0  0  0
   27.3658  -12.0540  -42.3063 H   0  0  0  0  0
   28.3169  -10.1256  -42.7100 H   0  0  0  0  0
   30.2028  -11.1457  -44.8564 H   0  0  0  0  0
   30.5066  -11.4340  -43.1459 H   0  0  0  0  0
   30.1099   -8.6658  -44.3768 H   0  0  0  0  0
   31.2327   -9.5347  -41.6538 H   0  0  0  0  0
   29.7007   -8.6884  -41.9116 H   0  0  0  0  0
   31.2192   -7.8767  -42.2756 H   0  0  0  0  0
   32.7072  -10.1459  -43.7245 H   0  0  0  0  0
   32.5770   -8.4604  -44.2595 H   0  0  0  0  0
   32.0963   -9.7698  -45.3456 H   0  0  0  0  0
   25.0205  -10.0981  -45.7404 H   0  0  0  0  0
   26.0743   -8.8649  -46.4759 H   0  0  0  0  0
   25.0468   -7.0988  -45.2878 H   0  0  0  0  0
   23.6481   -8.1867  -45.2910 H   0  0  0  0  0
   24.5369   -7.3824  -42.9071 H   0  0  0  0  0
   24.2640   -9.1024  -43.1295 H   0  0  0  0  0
   26.5604   -9.1591  -42.4248 H   0  0  0  0  0
   28.3863   -5.9665  -42.7411 H   0  0  0  0  0
   27.4514   -5.2075  -40.9494 H   0  0  0  0  0
   25.0308   -4.4933  -41.5260 H   0  0  0  0  0
   25.1454   -5.4772  -42.9435 H   0  0  0  0  0
   26.7755   -4.1796  -44.0047 H   0  0  0  0  0
   27.3801   -3.4823  -42.5091 H   0  0  0  0  0
   26.0827   -1.9363  -41.3026 H   0  0  0  0  0
   24.9655   -0.9309  -42.2099 H   0  0  0  0  0
   25.2595   -6.8961  -38.6417 H   0  0  0  0  0
   25.6486   -5.1005  -37.4934 H   0  0  0  0  0
   28.3357   -4.9041  -38.9379 H   0  0  0  0  0
   27.9371   -6.1862  -37.8457 H   0  0  0  0  0
   27.1798   -5.7698  -35.5285 H   0  0  0  0  0
   27.6098   -4.4942  -33.4816 H   0  0  0  0  0
   28.7166   -2.3015  -33.5862 H   0  0  0  0  0
   29.7497   -0.5063  -34.8529 H   0  0  0  0  0
   30.4745    0.4771  -36.9847 H   0  0  0  0  0
   30.0882   -0.7427  -39.1087 H   0  0  0  0  0
   29.0016   -2.9156  -39.1061 H   0  0  0  0  0
   24.5091   -2.2672  -39.4436 H   0  0  0  0  0
   22.8667   -2.5403  -38.0579 H   0  0  0  0  0
   23.4640   -5.5095  -37.8077 H   0  0  0  0  0
   22.7803   -4.8148  -39.2661 H   0  0  0  0  0
   21.5156   -4.5332  -36.4857 H   0  0  0  0  0
   20.3995   -4.0059  -39.2945 H   0  0  0  0  0
   20.7041   -2.7908  -38.0417 H   0  0  0  0  0
   19.4450   -3.9962  -37.8029 H   0  0  0  0  0
   20.8746   -6.5358  -38.7141 H   0  0  0  0  0
   19.9641   -6.3293  -37.2069 H   0  0  0  0  0
   21.6310   -6.9158  -37.1563 H   0  0  0  0  0
   24.8038   -2.1721  -34.9417 H   0  0  0  0  0
   24.7008   -0.0559  -35.4643 H   0  0  0  0  0
   24.4289   -0.5144  -38.4366 H   0  0  0  0  0
   25.9676   -0.8215  -37.6302 H   0  0  0  0  0
   24.4681    1.8345  -37.3685 H   0  0  0  0  0
   27.4405    1.1443  -37.0581 H   0  0  0  0  0
   26.3289    1.4128  -35.7114 H   0  0  0  0  0
   26.7026    2.7335  -36.8195 H   0  0  0  0  0
   26.5590    1.0611  -39.4723 H   0  0  0  0  0
   25.9150    2.6913  -39.2015 H   0  0  0  0  0
   24.8468    1.4050  -39.7757 H   0  0  0  0  0
   21.0476    0.0670  -35.5201 H   0  0  0  0  0
   21.4429    0.6084  -33.4305 H   0  0  0  0  0
   24.2494   -0.5687  -33.4174 H   0  0  0  0  0
   22.8035   -1.5705  -33.3228 H   0  0  0  0  0
   22.0650   -0.3668  -31.2979 H   0  0  0  0  0
   23.4234    0.7440  -31.4104 H   0  0  0  0  0
   25.0361   -1.1009  -31.1181 H   0  0  0  0  0
   23.7465   -2.2963  -31.0680 H   0  0  0  0  0
   24.7482   -1.0306  -28.9165 H   0  0  0  0  0
   21.2636   -2.5175  -28.4017 H   0  0  0  0  0
   23.3431   -0.3051  -27.2276 H   0  0  0  0  0
   22.1452   -1.3888  -26.8262 H   0  0  0  0  0
   23.0883    3.7671  -34.3793 H   0  0  0  0  0
   20.9771    4.3527  -34.7096 H   0  0  0  0  0
   19.7839    1.5843  -34.6362 H   0  0  0  0  0
   20.6404    2.1806  -36.0719 H   0  0  0  0  0
   19.1443    4.1353  -36.1875 H   0  0  0  0  0
   18.2915    3.5981  -34.7395 H   0  0  0  0  0
   17.6276    1.4910  -35.9010 H   0  0  0  0  0
   18.4988    2.0074  -37.3474 H   0  0  0  0  0
   17.0151    4.0221  -37.5298 H   0  0  0  0  0
   16.1381    3.5106  -36.0806 H   0  0  0  0  0
   15.5347    1.5016  -37.2201 H   0  0  0  0  0
   15.0208    2.8180  -38.0353 H   0  0  0  0  0
   20.3162    4.3660  -31.1244 H   0  0  0  0  0
   20.7363    6.4841  -31.5313 H   0  0  0  0  0
   22.0089    5.9781  -34.2356 H   0  0  0  0  0
   22.8453    5.8756  -32.6873 H   0  0  0  0  0
   22.1248    8.2656  -32.2130 H   0  0  0  0  0
   21.3555    8.3177  -33.8161 H   0  0  0  0  0
   24.4361   10.5584  -34.4408 H   0  0  0  0  0
   23.3721   10.4911  -33.0217 H   0  0  0  0  0
   22.6876   10.3561  -34.6676 H   0  0  0  0  0
   17.5979    7.0528  -33.2113 H   0  0  0  0  0
   17.1253    7.3381  -31.0063 H   0  0  0  0  0
   16.0234    5.5270  -32.0348 H   0  0  0  0  0
   18.0198    3.5415  -30.8662 H   0  0  0  0  0
   17.9185    4.0274  -32.5732 H   0  0  0  0  0
   16.5817    3.1926  -31.8239 H   0  0  0  0  0
   15.5568    6.1701  -29.6722 H   0  0  0  0  0
   16.6301    4.8971  -29.0997 H   0  0  0  0  0
   14.1339    4.4232  -30.8109 H   0  0  0  0  0
   14.2115    4.2764  -29.0476 H   0  0  0  0  0
   15.1442    3.1702  -30.0568 H   0  0  0  0  0
   19.9606    7.3048  -28.7542 H   0  0  0  0  0
   19.7537    9.4679  -29.0370 H   0  0  0  0  0
   17.9386    9.2720  -31.4779 H   0  0  0  0  0
   19.6757    8.9945  -31.5787 H   0  0  0  0  0
   20.0098   11.3109  -30.5676 H   0  0  0  0  0
   18.2363   11.5248  -30.7185 H   0  0  0  0  0
   19.2322   12.9129  -33.6621 H   0  0  0  0  0
   16.5654   10.0003  -27.3539 H   0  0  0  0  0
   17.7825   11.5699  -26.3975 H   0  0  0  0  0
   18.3613    9.6495  -25.2091 H   0  0  0  0  0
   20.8387    9.2650  -26.9484 H   0  0  0  0  0
   19.4247    8.1908  -26.8129 H   0  0  0  0  0
   20.4837    8.4122  -25.4470 H   0  0  0  0  0
   19.3086   11.9372  -24.6789 H   0  0  0  0  0
   20.8248   11.4554  -25.4324 H   0  0  0  0  0
   19.5342   10.0155  -23.0571 H   0  0  0  0  0
   20.8221   11.2260  -22.9484 H   0  0  0  0  0
   21.1413    9.6818  -23.7379 H   0  0  0  0  0
   19.4918   13.3259  -29.0294 H   0  0  0  0  0
   17.5379   14.3995  -29.0668 H   0  0  0  0  0
   16.1492   12.2314  -27.4606 H   0  0  0  0  0
   16.1548   12.3883  -29.2042 H   0  0  0  0  0
   14.4956   13.9239  -29.1289 H   0  0  0  0  0
   15.3271   14.9585  -27.9847 H   0  0  0  0  0
   15.4982   13.9299  -25.7712 H   0  0  0  0  0
   18.7406   15.8258  -25.8766 H   0  0  0  0  0
   19.8490   17.0872  -27.3247 H   0  0  0  0  0
   19.1465   15.4232  -29.7666 H   0  0  0  0  0
   20.5825   15.1605  -28.7682 H   0  0  0  0  0
   21.3297   17.4747  -29.2366 H   0  0  0  0  0
   19.8564   17.7857  -30.1633 H   0  0  0  0  0
   20.4886   15.9348  -31.7455 H   0  0  0  0  0
   21.9750   15.6757  -30.8292 H   0  0  0  0  0
   22.6890   18.0381  -31.3276 H   0  0  0  0  0
   21.1919   18.2912  -32.2359 H   0  0  0  0  0
   23.2933   16.3340  -32.8526 H   0  0  0  0  0
   22.9910   17.7160  -33.6577 H   0  0  0  0  0
   16.6906   18.8263  -27.9096 H   0  0  0  0  0
   17.8066   20.2504  -26.6298 H   0  0  0  0  0
   19.5998   18.0570  -25.5269 H   0  0  0  0  0
   17.9340   18.2834  -25.0276 H   0  0  0  0  0
   18.4483   20.6259  -24.3374 H   0  0  0  0  0
   20.1275   20.4271  -24.8859 H   0  0  0  0  0
   20.0799   21.2375  -22.4246 H   0  0  0  0  0
   20.2944   19.9213  -21.3052 H   0  0  0  0  0
   20.3860   20.7543  -29.2091 H   0  0  0  0  0
   18.7626   22.0646  -30.0046 H   0  0  0  0  0
   16.6351   21.1539  -28.0490 H   0  0  0  0  0
   16.9512   20.3373  -29.5845 H   0  0  0  0  0
   16.5007   22.4214  -30.8150 H   0  0  0  0  0
   16.2969   23.3074  -29.2796 H   0  0  0  0  0
   13.4293   20.7275  -29.4482 H   0  0  0  0  0
   19.8698   24.3265  -27.3514 H   0  0  0  0  0
   21.1082   24.9731  -29.0555 H   0  0  0  0  0
   20.5189   22.5871  -30.8337 H   0  0  0  0  0
   21.7296   22.5551  -29.5498 H   0  0  0  0  0
   22.8772   24.4990  -30.5908 H   0  0  0  0  0
   21.6345   24.5801  -31.8451 H   0  0  0  0  0
   22.2477   22.2553  -32.5751 H   0  0  0  0  0
   23.4959   22.2016  -31.3276 H   0  0  0  0  0
   24.6316   24.1864  -32.3914 H   0  0  0  0  0
   23.3799   24.2175  -33.6417 H   0  0  0  0  0
   25.2435   22.0149  -33.0951 H   0  0  0  0  0
   25.3133   23.0504  -34.3466 H   0  0  0  0  0
   18.1656   26.5356  -30.5515 H   0  0  0  0  0
   19.1566   28.2360  -29.5378 H   0  0  0  0  0
   20.8639   26.4955  -27.7237 H   0  0  0  0  0
   19.1638   26.8187  -27.4198 H   0  0  0  0  0
   19.5996   29.2500  -27.3602 H   0  0  0  0  0
   21.2843   28.9837  -27.8658 H   0  0  0  0  0
   20.6810   27.5309  -24.2907 H   0  0  0  0  0
   21.8718   27.9090  -31.9977 H   0  0  0  0  0
   20.4587   29.2571  -33.0728 H   0  0  0  0  0
   18.1385   28.9393  -31.1521 H   0  0  0  0  0
   18.4517   27.8013  -32.4663 H   0  0  0  0  0
   18.3908   29.6812  -34.0995 H   0  0  0  0  0
   18.1180   30.8288  -32.7849 H   0  0  0  0  0
   15.9859   29.6588  -32.2049 H   0  0  0  0  0
   16.2671   28.4943  -33.5022 H   0  0  0  0  0
   16.2152   30.3534  -35.1895 H   0  0  0  0  0
   15.9446   31.5237  -33.8904 H   0  0  0  0  0
   14.1750   29.2756  -34.5689 H   0  0  0  0  0
   13.9228   30.8388  -34.9576 H   0  0  0  0  0
   21.7743   31.7357  -30.7265 H   0  0  0  0  0
   23.2209   31.8718  -32.4115 H   0  0  0  0  0
   22.2620   29.4015  -33.8803 H   0  0  0  0  0
   23.4251   29.3469  -32.5617 H   0  0  0  0  0
   24.9609   30.8291  -33.8005 H   0  0  0  0  0
   23.7586   31.0814  -35.0683 H   0  0  0  0  0
   23.2317   29.3773  -36.5753 H   0  0  0  0  0
   24.2515   27.9720  -36.6628 H   0  0  0  0  0
   20.5455   33.6817  -34.1345 H   0  0  0  0  0
   21.7275   35.3231  -33.2163 H   0  0  0  0  0
   23.3126   33.5376  -31.3409 H   0  0  0  0  0
   21.7114   34.1483  -30.9658 H   0  0  0  0  0
   22.5428   36.4972  -31.2941 H   0  0  0  0  0
   24.1422   35.8762  -31.7091 H   0  0  0  0  0
   25.3996   34.6567  -30.0660 H   0  0  0  0  0
   25.0162   34.9293  -28.3937 H   0  0  0  0  0
   24.1365   34.3721  -35.8180 H   0  0  0  0  0
   22.8975   35.9221  -36.8648 H   0  0  0  0  0
   20.9460   36.4703  -34.6271 H   0  0  0  0  0
   20.6756   35.2108  -35.8567 H   0  0  0  0  0
   20.8984   36.9051  -36.3083 H   0  0  0  0  0
   25.2911   37.9241  -34.9558 H   0  0  0  0  0
   26.2982   37.7048  -36.9345 H   0  0  0  0  0
   24.3250   35.8193  -38.2281 H   0  0  0  0  0
   25.6783   35.2636  -37.2134 H   0  0  0  0  0
   25.9548   36.2292  -38.6667 H   0  0  0  0  0
   24.0161   40.3764  -37.9341 H   0  0  0  0  0
   25.8562   41.4739  -37.4056 H   0  0  0  0  0
   27.6074   39.1774  -36.4718 H   0  0  0  0  0
   26.3331   39.7747  -35.4004 H   0  0  0  0  0
   26.3245   42.1656  -34.8607 H   0  0  0  0  0
   27.8790   42.8934  -34.8140 H   0  0  0  0  0
   27.1846   40.5317  -40.6688 H   0  0  0  0  0
   27.0352   42.7368  -40.8138 H   0  0  0  0  0
   24.7395   42.7029  -38.7835 H   0  0  0  0  0
   24.5775   42.2297  -40.4801 H   0  0  0  0  0
   22.9229   44.1507  -39.9517 H   0  0  0  0  0
   23.5558   45.6948  -40.4378 H   0  0  0  0  0
   29.2750   43.1479  -37.8738 H   0  0  0  0  0
   30.7405   43.0621  -39.5121 H   0  0  0  0  0
   28.9392   41.5110  -41.3921 H   0  0  0  0  0
   29.7609   40.7427  -40.0299 H   0  0  0  0  0
   31.9523   41.5123  -40.8939 H   0  0  0  0  0
   31.1701   42.3884  -42.2014 H   0  0  0  0  0
   30.2167   40.2646  -43.0899 H   0  0  0  0  0
   30.9951   39.3430  -41.8100 H   0  0  0  0  0
   32.0914   40.0382  -44.2203 H   0  0  0  0  0
   33.0915   39.4824  -41.0142 H   0  0  0  0  0
   34.4000   40.3415  -44.4347 H   0  0  0  0  0
   35.1964   39.1856  -43.5465 H   0  0  0  0  0
   28.9955   46.0399  -40.8742 H   0  0  0  0  0
   30.3845   46.9922  -39.4368 H   0  0  0  0  0
   31.1194   44.4511  -37.9666 H   0  0  0  0  0
   29.6595   45.3565  -37.5752 H   0  0  0  0  0
   32.4037   46.6993  -37.6818 H   0  0  0  0  0
   29.8392   47.3957  -36.1419 H   0  0  0  0  0
   30.3873   48.2149  -37.6079 H   0  0  0  0  0
   31.3494   48.3200  -36.1340 H   0  0  0  0  0
   31.1112   45.3246  -35.2692 H   0  0  0  0  0
   32.5702   46.3322  -35.2327 H   0  0  0  0  0
   32.5800   44.7989  -36.1121 H   0  0  0  0  0
   32.8603   45.9079  -41.9236 H   0  0  0  0  0
   32.2654   47.8863  -42.7150 H   0  0  0  0  0
   29.8398   48.2364  -40.9353 H   0  0  0  0  0
   29.7735   47.2904  -42.4198 H   0  0  0  0  0
   30.8144   50.1610  -42.3845 H   0  0  0  0  0
   29.5286   48.4651  -44.6002 H   0  0  0  0  0
   31.2558   48.8089  -44.4685 H   0  0  0  0  0
   30.1201   50.1253  -44.7656 H   0  0  0  0  0
   27.9151   49.2345  -42.7418 H   0  0  0  0  0
   28.5162   50.8812  -43.0082 H   0  0  0  0  0
   28.5516   50.1814  -41.3851 H   0  0  0  0  0
   34.2400   49.1054  -39.8668 H   0  0  0  0  0
   35.6997   49.1129  -41.5360 H   0  0  0  0  0
   34.1737   47.0418  -43.1506 H   0  0  0  0  0
   35.1346   46.5861  -41.7504 H   0  0  0  0  0
   36.1973   48.0883  -44.2030 H   0  0  0  0  0
   37.6568   46.7980  -41.8337 H   0  0  0  0  0
   37.6498   48.5182  -42.2624 H   0  0  0  0  0
   38.4452   47.3569  -43.3180 H   0  0  0  0  0
   36.4062   45.1210  -43.4608 H   0  0  0  0  0
   37.1874   45.9036  -44.8462 H   0  0  0  0  0
   35.4243   45.7972  -44.7721 H   0  0  0  0  0
   33.1849   51.4201  -43.0148 H   0  0  0  0  0
   34.3072   52.8918  -41.7446 H   0  0  0  0  0
   36.3638   50.8983  -40.6906 H   0  0  0  0  0
   34.8394   51.1576  -39.8477 H   0  0  0  0  0
   35.6842   54.2811  -38.8741 H   0  0  0  0  0
   35.9437   52.4397  -44.9853 H   0  0  0  0  0
   34.8635   54.2470  -45.3927 H   0  0  0  0  0
   32.7965   52.8875  -44.3574 H   0  0  0  0  0
   32.6536   55.5960  -42.9225 H   0  0  0  0  0
   32.6956   54.0257  -42.0884 H   0  0  0  0  0
   31.3438   54.4539  -43.1228 H   0  0  0  0  0
   31.6042   54.3815  -45.4300 H   0  0  0  0  0
   36.6402   56.5297  -43.2611 H   0  0  0  0  0
   37.1580   57.3435  -45.1597 H   0  0  0  0  0
   38.6625   55.5899  -45.3630 H   0  0  0  0  0
   36.5553   53.9152  -46.7770 H   0  0  0  0  0
   37.4741   53.5922  -45.2683 H   0  0  0  0  0
   38.2787   53.5561  -46.7979 H   0  0  0  0  0
   38.5650   57.2531  -47.1411 H   0  0  0  0  0
   37.4004   56.3063  -48.0615 H   0  0  0  0  0
   40.1953   55.2652  -47.4045 H   0  0  0  0  0
   39.7857   56.1679  -48.8756 H   0  0  0  0  0
   39.0324   54.6060  -48.5782 H   0  0  0  0  0
   34.3903   58.1706  -46.7670 H   0  0  0  0  0
   32.4614  -17.5242  -48.6024 H   0  0  0  0  0
   32.9918  -18.6110  -51.9689 H   0  0  0  0  0
   35.4248  -17.8197  -51.1406 H   0  0  0  0  0
   35.2552  -18.7425  -52.6230 H   0  0  0  0  0
   36.8485  -20.0751  -51.4039 H   0  0  0  0  0
   35.9795  -19.8542  -49.8803 H   0  0  0  0  0
   35.2641  -21.6709  -52.1698 H   0  0  0  0  0
   34.9138  -21.8514  -50.4321 H   0  0  0  0  0
   30.4844  -21.7295  -51.7803 H   0  0  0  0  0
   30.9814  -19.0423  -51.2642 H   0  0  0  0  0
   29.5138  -19.7266  -51.8773 H   0  0  0  0  0
   29.7320  -18.6246  -53.8010 H   0  0  0  0  0
   31.3311  -18.0173  -53.3910 H   0  0  0  0  0
   30.8685  -19.9332  -55.3769 H   0  0  0  0  0
   32.4084  -19.7842  -54.5008 H   0  0  0  0  0
   30.4454  -23.5831  -52.6959 H   0  0  0  0  0
   31.7934  -24.2665  -53.6354 H   0  0  0  0  0
   28.9062  -24.1242  -54.4021 H   0  0  0  0  0
   31.0954  -26.8052  -56.5674 H   0  0  0  0  0
   32.6472  -24.3390  -55.6310 H   0  0  0  0  0
   32.4365  -24.9318  -57.2723 H   0  0  0  0  0
   33.9145  -26.7875  -56.8501 H   0  0  0  0  0
   34.5884  -25.6172  -55.6663 H   0  0  0  0  0
   31.3171  -27.4767  -54.1118 H   0  0  0  0  0
  1  2  1  0  0  0
  1331  1  0  0  0
  1332  1  0  0  0
  1333  1  0  0  0
  2  3  1  0  0  0
  2334  1  0  0  0
  2335  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3336  1  0  0  0
  4337  1  0  0  0
  4338  1  0  0  0
  4339  1  0  0  0
  5304  1  0  0  0
  5  6  1  0  0  0
  5340  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8341  1  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
  9342  1  0  0  0
 10 11  1  0  0  0
 10343  1  0  0  0
 10344  1  0  0  0
 11345  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14346  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15347  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 16348  1  0  0  0
 17349  1  0  0  0
 17350  1  0  0  0
 17351  1  0  0  0
 18 19  1  0  0  0
 18352  1  0  0  0
 18353  1  0  0  0
 19354  1  0  0  0
 19355  1  0  0  0
 19356  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22357  1  0  0  0
 23 28  1  0  0  0
 23 24  1  0  0  0
 23358  1  0  0  0
 24 25  1  0  0  0
 24359  1  0  0  0
 24360  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27361  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30 31  1  0  0  0
 30362  1  0  0  0
 31 36  1  0  0  0
 31 32  1  0  0  0
 31363  1  0  0  0
 32 33  1  0  0  0
 32364  1  0  0  0
 32365  1  0  0  0
 33 35  1  0  0  0
 33 34  1  0  0  0
 33366  1  0  0  0
 34367  1  0  0  0
 34368  1  0  0  0
 34369  1  0  0  0
 35370  1  0  0  0
 35371  1  0  0  0
 35372  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
 39373  1  0  0  0
 39374  1  0  0  0
 40 41  1  0  0  0
 40375  1  0  0  0
 40376  1  0  0  0
 41 42  1  0  0  0
 41377  1  0  0  0
 41378  1  0  0  0
 42 43  1  0  0  0
 42379  1  0  0  0
 43 45  1  0  0  0
 43 44  2  0  0  0
 45 46  1  0  0  0
 45380  1  0  0  0
 46 52  1  0  0  0
 46 47  1  0  0  0
 46381  1  0  0  0
 47 48  1  0  0  0
 47382  1  0  0  0
 47383  1  0  0  0
 48 49  1  0  0  0
 48384  1  0  0  0
 48385  1  0  0  0
 49 51  1  0  0  0
 49 50  2  0  0  0
 51386  1  0  0  0
 51387  1  0  0  0
 52 54  1  0  0  0
 52 53  2  0  0  0
 54 55  1  0  0  0
 54388  1  0  0  0
 55 67  1  0  0  0
 55 56  1  0  0  0
 55389  1  0  0  0
 56 57  1  0  0  0
 56390  1  0  0  0
 56391  1  0  0  0
 57 58  2  0  0  0
 57 66  1  0  0  0
 58 59  1  0  0  0
 58392  1  0  0  0
 59 60  2  0  0  0
 59393  1  0  0  0
 60 61  1  0  0  0
 60394  1  0  0  0
 61 62  2  0  0  0
 61 66  1  0  0  0
 62 63  1  0  0  0
 62395  1  0  0  0
 63 64  2  0  0  0
 63396  1  0  0  0
 64 65  1  0  0  0
 64397  1  0  0  0
 65 66  2  0  0  0
 65398  1  0  0  0
 67 69  1  0  0  0
 67 68  2  0  0  0
 69 70  1  0  0  0
 69399  1  0  0  0
 70 75  1  0  0  0
 70 71  1  0  0  0
 70400  1  0  0  0
 71 72  1  0  0  0
 71401  1  0  0  0
 71402  1  0  0  0
 72 74  1  0  0  0
 72 73  1  0  0  0
 72403  1  0  0  0
 73404  1  0  0  0
 73405  1  0  0  0
 73406  1  0  0  0
 74407  1  0  0  0
 74408  1  0  0  0
 74409  1  0  0  0
 75 77  1  0  0  0
 75 76  2  0  0  0
 77 78  1  0  0  0
 77410  1  0  0  0
 78 83  1  0  0  0
 78 79  1  0  0  0
 78411  1  0  0  0
 79 80  1  0  0  0
 79412  1  0  0  0
 79413  1  0  0  0
 80 82  1  0  0  0
 80 81  1  0  0  0
 80414  1  0  0  0
 81415  1  0  0  0
 81416  1  0  0  0
 81417  1  0  0  0
 82418  1  0  0  0
 82419  1  0  0  0
 82420  1  0  0  0
 83 85  1  0  0  0
 83 84  2  0  0  0
 85 86  1  0  0  0
 85421  1  0  0  0
 86 94  1  0  0  0
 86 87  1  0  0  0
 86422  1  0  0  0
 87 88  1  0  0  0
 87423  1  0  0  0
 87424  1  0  0  0
 88 89  1  0  0  0
 88425  1  0  0  0
 88426  1  0  0  0
 89 90  1  0  0  0
 89427  1  0  0  0
 89428  1  0  0  0
 90 91  1  0  0  0
 90429  1  0  0  0
 91 93  1  0  0  0
 91 92  2  0  0  0
 92430  1  0  0  0
 93431  1  0  0  0
 93432  1  0  0  0
 94 96  1  0  0  0
 94 95  2  0  0  0
 96 97  1  0  0  0
 96433  1  0  0  0
 97103  1  0  0  0
 97 98  1  0  0  0
 97434  1  0  0  0
 98 99  1  0  0  0
 98435  1  0  0  0
 98436  1  0  0  0
 99100  1  0  0  0
 99437  1  0  0  0
 99438  1  0  0  0
100101  1  0  0  0
100439  1  0  0  0
100440  1  0  0  0
101102  1  0  0  0
101441  1  0  0  0
101442  1  0  0  0
102443  1  0  0  0
102444  1  0  0  0
103105  1  0  0  0
103104  2  0  0  0
105106  1  0  0  0
105445  1  0  0  0
106111  1  0  0  0
106107  1  0  0  0
106446  1  0  0  0
107108  1  0  0  0
107447  1  0  0  0
107448  1  0  0  0
108109  1  0  0  0
108449  1  0  0  0
108450  1  0  0  0
109110  1  0  0  0
110451  1  0  0  0
110452  1  0  0  0
110453  1  0  0  0
111113  1  0  0  0
111112  2  0  0  0
113114  1  0  0  0
113454  1  0  0  0
114119  1  0  0  0
114115  1  0  0  0
114455  1  0  0  0
115117  1  0  0  0
115116  1  0  0  0
115456  1  0  0  0
116457  1  0  0  0
116458  1  0  0  0
116459  1  0  0  0
117118  1  0  0  0
117460  1  0  0  0
117461  1  0  0  0
118462  1  0  0  0
118463  1  0  0  0
118464  1  0  0  0
119121  1  0  0  0
119120  2  0  0  0
121122  1  0  0  0
121465  1  0  0  0
122128  1  0  0  0
122123  1  0  0  0
122466  1  0  0  0
123124  1  0  0  0
123467  1  0  0  0
123468  1  0  0  0
124125  1  0  0  0
124469  1  0  0  0
124470  1  0  0  0
125127  1  0  0  0
125126  2  0  0  0
127471  1  0  0  0
128130  1  0  0  0
128129  2  0  0  0
130131  1  0  0  0
130472  1  0  0  0
131136  1  0  0  0
131132  1  0  0  0
131473  1  0  0  0
132134  1  0  0  0
132133  1  0  0  0
132474  1  0  0  0
133475  1  0  0  0
133476  1  0  0  0
133477  1  0  0  0
134135  1  0  0  0
134478  1  0  0  0
134479  1  0  0  0
135480  1  0  0  0
135481  1  0  0  0
135482  1  0  0  0
136138  1  0  0  0
136137  2  0  0  0
138139  1  0  0  0
138483  1  0  0  0
139145  1  0  0  0
139140  1  0  0  0
139484  1  0  0  0
140141  1  0  0  0
140485  1  0  0  0
140486  1  0  0  0
141142  1  0  0  0
141487  1  0  0  0
141488  1  0  0  0
142144  1  0  0  0
142143  2  0  0  0
144489  1  0  0  0
145147  1  0  0  0
145146  2  0  0  0
147148  1  0  0  0
147490  1  0  0  0
148154  1  0  0  0
148149  1  0  0  0
148491  1  0  0  0
149150  1  0  0  0
149492  1  0  0  0
149493  1  0  0  0
150151  1  0  0  0
150494  1  0  0  0
150495  1  0  0  0
151152  1  0  0  0
151496  1  0  0  0
151497  1  0  0  0
152153  1  0  0  0
152498  1  0  0  0
152499  1  0  0  0
153500  1  0  0  0
153501  1  0  0  0
154156  1  0  0  0
154155  2  0  0  0
156157  1  0  0  0
156502  1  0  0  0
157163  1  0  0  0
157158  1  0  0  0
157503  1  0  0  0
158159  1  0  0  0
158504  1  0  0  0
158505  1  0  0  0
159160  1  0  0  0
159506  1  0  0  0
159507  1  0  0  0
160162  1  0  0  0
160161  2  0  0  0
162508  1  0  0  0
162509  1  0  0  0
163165  1  0  0  0
163164  2  0  0  0
165166  1  0  0  0
165510  1  0  0  0
166172  1  0  0  0
166167  1  0  0  0
166511  1  0  0  0
167168  1  0  0  0
167512  1  0  0  0
167513  1  0  0  0
168169  1  0  0  0
168514  1  0  0  0
168515  1  0  0  0
169171  1  0  0  0
169170  2  0  0  0
171516  1  0  0  0
172174  1  0  0  0
172173  2  0  0  0
174175  1  0  0  0
174517  1  0  0  0
175181  1  0  0  0
175176  1  0  0  0
175518  1  0  0  0
176177  1  0  0  0
176519  1  0  0  0
176520  1  0  0  0
177178  1  0  0  0
177521  1  0  0  0
177522  1  0  0  0
178179  1  0  0  0
178523  1  0  0  0
178524  1  0  0  0
179180  1  0  0  0
179525  1  0  0  0
179526  1  0  0  0
180527  1  0  0  0
180528  1  0  0  0
181183  1  0  0  0
181182  2  0  0  0
183184  1  0  0  0
183529  1  0  0  0
184190  1  0  0  0
184185  1  0  0  0
184530  1  0  0  0
185186  1  0  0  0
185531  1  0  0  0
185532  1  0  0  0
186187  1  0  0  0
186533  1  0  0  0
186534  1  0  0  0
187189  1  0  0  0
187188  2  0  0  0
189535  1  0  0  0
190192  1  0  0  0
190191  2  0  0  0
192193  1  0  0  0
192536  1  0  0  0
193199  1  0  0  0
193194  1  0  0  0
193537  1  0  0  0
194195  1  0  0  0
194538  1  0  0  0
194539  1  0  0  0
195196  1  0  0  0
195540  1  0  0  0
195541  1  0  0  0
196197  1  0  0  0
196542  1  0  0  0
196543  1  0  0  0
197198  1  0  0  0
197544  1  0  0  0
197545  1  0  0  0
198546  1  0  0  0
198547  1  0  0  0
199201  1  0  0  0
199200  2  0  0  0
201202  1  0  0  0
201548  1  0  0  0
202208  1  0  0  0
202203  1  0  0  0
202549  1  0  0  0
203204  1  0  0  0
203550  1  0  0  0
203551  1  0  0  0
204205  1  0  0  0
204552  1  0  0  0
204553  1  0  0  0
205207  1  0  0  0
205206  2  0  0  0
207554  1  0  0  0
207555  1  0  0  0
208210  1  0  0  0
208209  2  0  0  0
210211  1  0  0  0
210556  1  0  0  0
211217  1  0  0  0
211212  1  0  0  0
211557  1  0  0  0
212213  1  0  0  0
212558  1  0  0  0
212559  1  0  0  0
213214  1  0  0  0
213560  1  0  0  0
213561  1  0  0  0
214216  1  0  0  0
214215  2  0  0  0
216562  1  0  0  0
216563  1  0  0  0
217219  1  0  0  0
217218  2  0  0  0
219220  1  0  0  0
219564  1  0  0  0
220222  1  0  0  0
220221  1  0  0  0
220565  1  0  0  0
221566  1  0  0  0
221567  1  0  0  0
221568  1  0  0  0
222224  1  0  0  0
222223  2  0  0  0
224225  1  0  0  0
224569  1  0  0  0
225227  1  0  0  0
225226  1  0  0  0
225570  1  0  0  0
226571  1  0  0  0
226572  1  0  0  0
226573  1  0  0  0
227229  1  0  0  0
227228  2  0  0  0
229230  1  0  0  0
229574  1  0  0  0
230235  1  0  0  0
230231  1  0  0  0
230575  1  0  0  0
231232  1  0  0  0
231576  1  0  0  0
231577  1  0  0  0
232234  1  0  0  0
232233  2  0  0  0
234578  1  0  0  0
234579  1  0  0  0
235237  1  0  0  0
235236  2  0  0  0
237238  1  0  0  0
237580  1  0  0  0
238243  1  0  0  0
238239  1  0  0  0
238581  1  0  0  0
239240  1  0  0  0
239582  1  0  0  0
239583  1  0  0  0
240242  1  0  0  0
240241  2  0  0  0
242584  1  0  0  0
242585  1  0  0  0
243245  1  0  0  0
243244  2  0  0  0
245246  1  0  0  0
245586  1  0  0  0
246254  1  0  0  0
246247  1  0  0  0
246587  1  0  0  0
247248  1  0  0  0
247588  1  0  0  0
247589  1  0  0  0
248249  1  0  0  0
248590  1  0  0  0
248591  1  0  0  0
249250  1  0  0  0
249592  1  0  0  0
249593  1  0  0  0
250251  1  0  0  0
250594  1  0  0  0
251253  1  0  0  0
251252  2  0  0  0
252595  1  0  0  0
253596  1  0  0  0
253597  1  0  0  0
254256  1  0  0  0
254255  2  0  0  0
256257  1  0  0  0
256598  1  0  0  0
257262  1  0  0  0
257258  1  0  0  0
257599  1  0  0  0
258259  1  0  0  0
258600  1  0  0  0
258601  1  0  0  0
259261  1  0  0  0
259260  1  0  0  0
259602  1  0  0  0
260603  1  0  0  0
260604  1  0  0  0
260605  1  0  0  0
261606  1  0  0  0
261607  1  0  0  0
261608  1  0  0  0
262264  1  0  0  0
262263  2  0  0  0
264265  1  0  0  0
264609  1  0  0  0
265270  1  0  0  0
265266  1  0  0  0
265610  1  0  0  0
266267  1  0  0  0
266611  1  0  0  0
266612  1  0  0  0
267269  1  0  0  0
267268  1  0  0  0
267613  1  0  0  0
268614  1  0  0  0
268615  1  0  0  0
268616  1  0  0  0
269617  1  0  0  0
269618  1  0  0  0
269619  1  0  0  0
270272  1  0  0  0
270271  2  0  0  0
272273  1  0  0  0
272620  1  0  0  0
273278  1  0  0  0
273274  1  0  0  0
273621  1  0  0  0
274275  1  0  0  0
274622  1  0  0  0
274623  1  0  0  0
275277  1  0  0  0
275276  1  0  0  0
275624  1  0  0  0
276625  1  0  0  0
276626  1  0  0  0
276627  1  0  0  0
277628  1  0  0  0
277629  1  0  0  0
277630  1  0  0  0
278280  1  0  0  0
278279  2  0  0  0
280281  1  0  0  0
280631  1  0  0  0
281286  1  0  0  0
281282  1  0  0  0
281632  1  0  0  0
282283  1  0  0  0
282633  1  0  0  0
282634  1  0  0  0
283285  1  0  0  0
283284  2  0  0  0
285635  1  0  0  0
286288  1  0  0  0
286287  2  0  0  0
288289  1  0  0  0
288636  1  0  0  0
289293  1  0  0  0
289290  1  0  0  0
289637  1  0  0  0
290292  1  0  0  0
290291  1  0  0  0
290638  1  0  0  0
291639  1  0  0  0
291640  1  0  0  0
291641  1  0  0  0
292642  1  0  0  0
293295  1  0  0  0
293294  2  0  0  0
295296  1  0  0  0
295643  1  0  0  0
296301  1  0  0  0
296297  1  0  0  0
296644  1  0  0  0
297299  1  0  0  0
297298  1  0  0  0
297645  1  0  0  0
298646  1  0  0  0
298647  1  0  0  0
298648  1  0  0  0
299300  1  0  0  0
299649  1  0  0  0
299650  1  0  0  0
300651  1  0  0  0
300652  1  0  0  0
300653  1  0  0  0
301303  1  0  0  0
301302  2  0  0  0
303654  1  0  0  0
304305  1  0  0  0
304655  1  0  0  0
305307  1  0  0  0
305306  2  0  0  0
307311  1  0  0  0
307308  1  0  0  0
307656  1  0  0  0
308309  1  0  0  0
308657  1  0  0  0
308658  1  0  0  0
309310  1  0  0  0
309659  1  0  0  0
309660  1  0  0  0
310311  1  0  0  0
310661  1  0  0  0
310662  1  0  0  0
311312  1  0  0  0
312314  1  0  0  0
312313  2  0  0  0
314318  1  0  0  0
314315  1  0  0  0
314663  1  0  0  0
315316  1  0  0  0
315664  1  0  0  0
315665  1  0  0  0
316317  1  0  0  0
316666  1  0  0  0
316667  1  0  0  0
317318  1  0  0  0
317668  1  0  0  0
317669  1  0  0  0
318319  1  0  0  0
319321  1  0  0  0
319320  2  0  0  0
321322  1  0  0  0
321670  1  0  0  0
321671  1  0  0  0
322323  1  0  0  0
322672  1  0  0  0
323325  1  0  0  0
323324  2  0  0  0
325330  1  0  0  0
325326  1  0  0  0
325673  1  0  0  0
326327  1  0  0  0
326674  1  0  0  0
326675  1  0  0  0
327328  1  0  0  0
327676  1  0  0  0
327677  1  0  0  0
328330  1  0  0  0
328329  2  0  0  0
330678  1  0  0  0
M  END

>  <Chemical Name>
BDBM50158968

>  <PubChem CID>
91933192

>  <Formula>
C211H348N56O62S

>  <Molecular Weight>
4693.495000

>  <IUPAC Name>


>  <XlogP>
-17.0

>  <Hydrogen Bond Donors>
62

>  <Hydrogen Bond Acceptors>
69

>  <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=CC3=CC=CC=C32)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)C4CCCN4C(=O)C5CCCN5C(=O)CNC(=O)C6CCC(=O)N6

>  <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=CC3=CC=CC=C32)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]4CCCN4C(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@@H]6CCC(=O)N6

>  <InChI Std. ID>
InChI=1S/C211H348N56O62S/c1-27-109(18)165(259-187(306)134(69-78-162(284)285)246-203(322)166(110(19)28-2)260-188(307)135(79-89-330-26)243-178(297)123(55-37-41-83-215)232-179(298)124(56-43-84-226-210(222)223)236-189(308)136(90-103(6)7)249-192(311)139(93-106(12)13)252-194(313)141(96-118-50-42-49-117-48-32-33-51-119(117)118)253-186(305)130(64-73-154(219)273)244-200(319)148-58-45-87-266(148)207(326)146(95-108(16)17)257-197(316)144(99-163(286)287)256-204(323)167(111(20)29-3)261-199(318)147(102-268)258-205(324)168(112(21)30-4)262-201(320)149-59-46-88-267(149)208(327)150-60-47-86-265(150)158(277)101-228-173(292)126-65-74-157(276)231-126)202(321)245-133(68-77-161(282)283)185(304)235-121(53-35-39-81-213)176(295)240-129(63-72-153(218)272)182(301)242-132(67-76-160(280)281)184(303)234-122(54-36-40-82-214)177(296)241-131(66-75-159(278)279)183(302)233-120(52-34-38-80-212)175(294)239-128(62-71-152(217)271)181(300)238-127(61-70-151(216)270)174(293)230-114(23)171(290)229-115(24)172(291)247-142(97-155(220)274)196(315)254-143(98-156(221)275)195(314)237-125(57-44-85-227-211(224)225)180(299)248-137(91-104(8)9)190(309)250-138(92-105(10)11)191(310)251-140(94-107(14)15)193(312)255-145(100-164(288)289)198(317)264-170(116(25)269)206(325)263-169(209(328)329)113(22)31-5/h32-33,42,48-51,103-116,120-150,165-170,268-269H,27-31,34-41,43-47,52-102,212-215H2,1-26H3,(H2,216,270)(H2,217,271)(H2,218,272)(H2,219,273)(H2,220,274)(H2,221,275)(H,228,292)(H,229,290)(H,230,293)(H,231,276)(H,232,298)(H,233,302)(H,234,303)(H,235,304)(H,236,308)(H,237,314)(H,238,300)(H,239,294)(H,240,295)(H,241,296)(H,242,301)(H,243,297)(H,244,319)(H,245,321)(H,246,322)(H,247,291)(H,248,299)(H,249,311)(H,250,309)(H,251,310)(H,252,313)(H,253,305)(H,254,315)(H,255,312)(H,256,323)(H,257,316)(H,258,324)(H,259,306)(H,260,307)(H,261,318)(H,262,320)(H,263,325)(H,264,317)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,328,329)(H4,222,223,226)(H4,224,225,227)/t109-,110-,111-,112-,113-,114-,115-,116+,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-,147-,148-,149-,150-,165-,166-,167-,168-,169-,170-/m0/s1

>  <InChI Key>
LCRGUJBKGXRAIZ-KBOCYOPLSA-N

