
 BDBM50158970

673676  0  0  0  0  0  0  0  0999 V2000
    7.6600   -5.1193   -1.3402 C   0  0  0  0  0
    8.5154   -5.6058   -0.1787 C   0  0  0  0  0
    9.9268   -4.9736   -0.1184 C   0  0  0  0  0
    9.8243   -3.4502    0.0639 C   0  0  0  0  0
   10.7364   -5.6023    1.0353 C   0  0  0  0  0
   10.9020   -7.1396    0.9815 C   0  0  0  0  0
   10.3402   -7.8340    1.8390 O   0  0  0  0  0
   11.6701   -7.8113    0.0905 N   0  0  0  0  0
   11.8649   -7.6816   -1.3601 C   0  0  0  0  0
   10.5635   -7.7788   -2.1756 C   0  0  0  0  0
   10.8163   -8.4702   -3.4025 O   0  0  0  0  0
   12.7867   -6.5617   -1.8952 C   0  0  0  0  0
   13.1905   -5.6278   -1.2112 O   0  0  0  0  0
   13.1353   -6.7612   -3.2107 N   0  0  0  0  0
   14.0721   -5.9548   -4.0118 C   0  0  0  0  0
   15.2055   -6.8929   -4.5228 C   0  0  0  0  0
   14.6994   -8.0876   -5.3500 C   0  0  0  0  0
   16.2915   -6.1257   -5.2930 C   0  0  0  0  0
   17.5520   -6.9399   -5.5612 C   0  0  0  0  0
   13.1917   -5.3325   -5.1151 C   0  0  0  0  0
   12.3969   -6.0453   -5.7473 O   0  0  0  0  0
   13.0958   -4.0015   -5.3612 N   0  0  0  0  0
   13.9630   -2.8158   -5.1786 C   0  0  0  0  0
   14.8357   -2.7619   -3.9353 C   0  0  0  0  0
   15.3469   -1.3597   -3.7690 C   0  0  0  0  0
   16.2756   -0.8507   -4.3756 O   0  0  0  0  0
   14.6066   -0.6413   -2.9058 O   0  0  0  0  0
   14.8034   -2.6706   -6.4622 C   0  0  0  0  0
   15.8193   -3.3499   -6.6354 O   0  0  0  0  0
   14.3974   -1.9061   -7.5164 N   0  0  0  0  0
   13.3692   -0.8591   -7.6646 C   0  0  0  0  0
   11.9355   -1.3297   -7.3718 C   0  0  0  0  0
   10.8570   -0.4446   -8.0357 C   0  0  0  0  0
   10.7569   -0.6943   -9.5428 C   0  0  0  0  0
    9.4940   -0.7085   -7.3895 C   0  0  0  0  0
   13.7979    0.3569   -6.8117 C   0  0  0  0  0
   13.5910    0.3650   -5.5931 O   0  0  0  0  0
   14.5474    1.3467   -7.4070 N   0  0  0  0  0
   15.1478    2.3892   -6.5901 C   0  0  0  0  0
   15.7520    3.3763   -7.5736 C   0  0  0  0  0
   15.9982    2.5230   -8.8112 C   0  0  0  0  0
   14.7970    1.5833   -8.8468 C   0  0  0  0  0
   13.5163    2.2186   -9.4550 C   0  0  0  0  0
   12.7047    2.8498   -8.7703 O   0  0  0  0  0
   13.1330    1.9369  -10.7377 N   0  0  0  0  0
   13.7537    2.4111  -11.9971 C   0  0  0  0  0
   13.7269    3.9592  -12.1836 C   0  0  0  0  0
   12.2940    4.5013  -12.0754 C   0  0  0  0  0
   14.7049    4.7422  -11.2953 C   0  0  0  0  0
   14.7894    6.2247  -11.6437 C   0  0  0  0  0
   15.1008    1.7525  -12.3749 C   0  0  0  0  0
   15.8866    1.3427  -11.5168 O   0  0  0  0  0
   15.5283    1.6712  -13.6674 N   0  0  0  0  0
   14.8050    1.5363  -14.9507 C   0  0  0  0  0
   14.2108    0.1103  -15.1688 C   0  0  0  0  0
   13.1092   -0.3004  -14.1890 C   0  0  0  0  0
   13.7565   -0.0607  -16.6390 C   0  0  0  0  0
   13.4582   -1.5027  -17.0293 C   0  0  0  0  0
   13.8667    2.7124  -15.2967 C   0  0  0  0  0
   12.6452    2.6325  -15.1343 O   0  0  0  0  0
   14.3430    3.9297  -15.6852 N   0  0  0  0  0
   15.6633    4.4140  -16.1298 C   0  0  0  0  0
   16.8409    4.0344  -15.2178 C   0  0  0  0  0
   18.0386    5.0023  -15.3201 C   0  0  0  0  0
   17.8071    6.2638  -14.4840 C   0  0  0  0  0
   19.3175    4.3109  -14.8388 C   0  0  0  0  0
   15.8617    3.9260  -17.5773 C   0  0  0  0  0
   16.0950    2.7374  -17.8229 O   0  0  0  0  0
   15.6910    4.7486  -18.6471 N   0  0  0  0  0
   15.3311    6.1716  -18.7800 C   0  0  0  0  0
   13.9300    6.4710  -18.2132 C   0  0  0  0  0
   13.3363    7.8161  -18.6862 C   0  0  0  0  0
   12.9009    7.7706  -20.1520 C   0  0  0  0  0
   12.1363    8.1896  -17.8107 C   0  0  0  0  0
   16.4354    7.0633  -18.1787 C   0  0  0  0  0
   16.2632    7.6575  -17.1094 O   0  0  0  0  0
   17.6746    7.1718  -18.7313 N   0  0  0  0  0
   18.1834    6.9603  -20.0971 C   0  0  0  0  0
   17.9117    5.5763  -20.7017 C   0  0  0  0  0
   18.8018    5.2459  -21.9091 C   0  0  0  0  0
   20.0989    4.5319  -21.5220 C   0  0  0  0  0
   20.8443    4.2225  -22.7225 N   0  0  0  0  0
   21.8433    4.9417  -23.2671 C   0  0  0  0  0
   22.3954    6.0114  -22.8322 N   0  0  0  0  0
   22.2536    4.4236  -24.4395 N   0  0  0  0  0
   17.6332    8.0889  -20.9931 C   0  0  0  0  0
   16.4400    8.1015  -21.3166 O   0  0  0  0  0
   18.3964    9.1372  -21.4037 N   0  0  0  0  0
   19.7608    9.5832  -21.0699 C   0  0  0  0  0
   19.9498    9.8383  -19.5655 C   0  0  0  0  0
   21.1998   10.6844  -19.2918 C   0  0  0  0  0
   21.4273   10.8863  -17.7927 C   0  0  0  0  0
   22.6770   11.7282  -17.5381 C   0  0  0  0  0
   22.8834   11.9070  -16.1058 N   0  0  0  0  0
   20.7983    8.5973  -21.6324 C   0  0  0  0  0
   21.1889    7.6410  -20.9503 O   0  0  0  0  0
   21.2307    8.6445  -22.9191 N   0  0  0  0  0
   21.2261    9.6930  -23.9437 C   0  0  0  0  0
   19.8263   10.1590  -24.3662 C   0  0  0  0  0
   19.8738   10.9648  -25.6663 C   0  0  0  0  0
   18.1920   11.4757  -26.1400 S   0  0  0  0  0
   18.6131   12.5452  -27.5399 C   0  0  0  0  0
   22.1181   10.8772  -23.5136 C   0  0  0  0  0
   21.8350   11.5538  -22.5188 O   0  0  0  0  0
   23.2006   11.2829  -24.2353 N   0  0  0  0  0
   24.2169   10.5248  -24.9951 C   0  0  0  0  0
   25.1998    9.7202  -24.0923 C   0  0  0  0  0
   24.5580    8.6026  -23.2771 C   0  0  0  0  0
   26.3911    9.1889  -24.9224 C   0  0  0  0  0
   27.5849    8.7597  -24.0787 C   0  0  0  0  0
   23.6903    9.7912  -26.2507 C   0  0  0  0  0
   23.3502    8.6064  -26.2177 O   0  0  0  0  0
   23.5150   10.4508  -27.4346 N   0  0  0  0  0
   23.9367   11.7770  -27.8924 C   0  0  0  0  0
   23.3515   12.9256  -27.0547 C   0  0  0  0  0
   23.3273   14.2515  -27.8202 C   0  0  0  0  0
   22.4755   15.2796  -27.1242 C   0  0  0  0  0
   21.6235   15.9767  -27.6522 O   0  0  0  0  0
   22.7677   15.4169  -25.8191 O   0  0  0  0  0
   25.4724   11.8593  -28.0757 C   0  0  0  0  0
   26.1757   12.4154  -27.2255 O   0  0  0  0  0
   26.1162   11.3669  -29.1730 N   0  0  0  0  0
   25.7729   10.3720  -30.2123 C   0  0  0  0  0
   26.2598    8.9295  -29.8978 C   0  0  0  0  0
   25.6565    8.3037  -28.6485 C   0  0  0  0  0
   26.0837    8.0193  -31.1364 C   0  0  0  0  0
   26.7918    6.6763  -31.0177 C   0  0  0  0  0
   24.3352   10.5060  -30.7315 C   0  0  0  0  0
   23.4304    9.7817  -30.3002 O   0  0  0  0  0
   23.9407   11.5727  -31.4794 N   0  0  0  0  0
   24.5777   12.4198  -32.5135 C   0  0  0  0  0
   26.1026   12.4692  -32.5893 C   0  0  0  0  0
   26.6099   13.5375  -33.5649 C   0  0  0  0  0
   28.1136   13.5563  -33.6014 C   0  0  0  0  0
   28.8742   12.9641  -32.8547 O   0  0  0  0  0
   28.5868   14.3565  -34.5753 O   0  0  0  0  0
   23.9698   11.9245  -33.8398 C   0  0  0  0  0
   24.4740   10.9841  -34.4598 O   0  0  0  0  0
   22.7722   12.4006  -34.2923 N   0  0  0  0  0
   21.9943   13.6061  -33.9494 C   0  0  0  0  0
   21.5498   13.6832  -32.4844 C   0  0  0  0  0
   20.4671   14.7409  -32.2372 C   0  0  0  0  0
   20.1189   14.7871  -30.7472 C   0  0  0  0  0
   19.1211   15.8927  -30.4192 C   0  0  0  0  0
   18.8565   15.8939  -28.9848 N   0  0  0  0  0
   22.8089   14.8287  -34.4102 C   0  0  0  0  0
   23.7635   15.2432  -33.7454 O   0  0  0  0  0
   22.5974   15.4196  -35.6164 N   0  0  0  0  0
   21.5208   15.2824  -36.6055 C   0  0  0  0  0
   21.4472   13.8956  -37.2537 C   0  0  0  0  0
   20.6369   13.9361  -38.5519 C   0  0  0  0  0
   20.3445   12.5395  -39.0405 C   0  0  0  0  0
   20.9730   11.9927  -39.9374 O   0  0  0  0  0
   19.3445   11.8955  -38.3747 N   0  0  0  0  0
   20.1958   15.7200  -35.9512 C   0  0  0  0  0
   19.3555   14.8888  -35.5905 O   0  0  0  0  0
   19.9425   17.0232  -35.6393 N   0  0  0  0  0
   20.3979   18.2615  -36.2936 C   0  0  0  0  0
   21.9088   18.5036  -36.2898 C   0  0  0  0  0
   22.2494   19.9785  -36.5327 C   0  0  0  0  0
   23.7254   20.2504  -36.6612 C   0  0  0  0  0
   24.2158   21.2853  -37.0800 O   0  0  0  0  0
   24.5161   19.2557  -36.2217 O   0  0  0  0  0
   19.7943   18.2487  -37.7083 C   0  0  0  0  0
   20.3286   17.6021  -38.6155 O   0  0  0  0  0
   18.5827   18.8044  -37.9754 N   0  0  0  0  0
   17.7199   19.7153  -37.2071 C   0  0  0  0  0
   17.2411   19.1519  -35.8598 C   0  0  0  0  0
   15.9840   19.8766  -35.3612 C   0  0  0  0  0
   15.5248   19.3436  -34.0027 C   0  0  0  0  0
   14.2714   20.0768  -33.5239 C   0  0  0  0  0
   13.8348   19.5779  -32.2253 N   0  0  0  0  0
   18.4454   21.0697  -37.0848 C   0  0  0  0  0
   19.2229   21.2913  -36.1502 O   0  0  0  0  0
   18.3917   22.0109  -38.0682 N   0  0  0  0  0
   17.4585   22.2118  -39.1872 C   0  0  0  0  0
   17.3777   21.0467  -40.1800 C   0  0  0  0  0
   16.8353   21.4840  -41.5436 C   0  0  0  0  0
   16.6396   20.3560  -42.5220 C   0  0  0  0  0
   15.9894   20.4299  -43.5528 O   0  0  0  0  0
   17.2913   19.2238  -42.2077 O   0  0  0  0  0
   16.0941   22.5758  -38.5761 C   0  0  0  0  0
   15.4407   21.7452  -37.9376 O   0  0  0  0  0
   15.5832   23.8297  -38.6371 N   0  0  0  0  0
   16.0622   25.0722  -39.2518 C   0  0  0  0  0
   17.3365   25.6116  -38.5866 C   0  0  0  0  0
   17.5609   27.0898  -38.9327 C   0  0  0  0  0
   18.8177   27.6418  -38.2585 C   0  0  0  0  0
   19.0257   29.1144  -38.6102 C   0  0  0  0  0
   20.2147   29.6294  -37.9434 N   0  0  0  0  0
   16.1868   24.8874  -40.7755 C   0  0  0  0  0
   17.2888   24.7820  -41.3219 O   0  0  0  0  0
   15.0946   24.7230  -41.5727 N   0  0  0  0  0
   13.6889   25.1097  -41.3887 C   0  0  0  0  0
   12.9808   24.5095  -40.1727 C   0  0  0  0  0
   11.4591   24.5320  -40.3310 C   0  0  0  0  0
   10.7875   23.8636  -39.1557 C   0  0  0  0  0
   10.2832   22.7498  -39.2116 O   0  0  0  0  0
   10.8076   24.5737  -37.9937 N   0  0  0  0  0
   13.6513   26.6481  -41.4108 C   0  0  0  0  0
   13.8924   27.3059  -40.3939 O   0  0  0  0  0
   13.4858   27.3368  -42.5746 N   0  0  0  0  0
   12.9566   26.9073  -43.8762 C   0  0  0  0  0
   13.8475   25.9131  -44.6269 C   0  0  0  0  0
   13.4807   25.8505  -46.1117 C   0  0  0  0  0
   14.3534   24.8498  -46.8279 C   0  0  0  0  0
   15.3223   25.1682  -47.5057 O   0  0  0  0  0
   14.0200   23.5445  -46.6284 N   0  0  0  0  0
   11.5230   26.4053  -43.6333 C   0  0  0  0  0
   11.2513   25.2018  -43.6384 O   0  0  0  0  0
   10.5289   27.2671  -43.2580 N   0  0  0  0  0
   10.2863   28.6205  -43.7781 C   0  0  0  0  0
   11.3032   29.6868  -43.4006 C   0  0  0  0  0
   10.1029   28.4477  -45.2912 C   0  0  0  0  0
   11.0647   28.5049  -46.0637 O   0  0  0  0  0
    8.9203   28.0046  -45.8054 N   0  0  0  0  0
    7.5508   28.1767  -45.3072 C   0  0  0  0  0
    7.2129   27.5068  -43.9827 C   0  0  0  0  0
    7.2654   29.6870  -45.3208 C   0  0  0  0  0
    7.6002   30.4091  -44.3758 O   0  0  0  0  0
    6.8149   30.3151  -46.4462 N   0  0  0  0  0
    6.0916   29.7852  -47.6185 C   0  0  0  0  0
    6.8375   28.7310  -48.4301 C   0  0  0  0  0
    6.2786   28.6531  -49.8281 C   0  0  0  0  0
    5.2590   28.0296  -50.0998 O   0  0  0  0  0
    6.9774   29.3264  -50.7831 N   0  0  0  0  0
    4.7409   29.2832  -47.0834 C   0  0  0  0  0
    4.6710   28.2979  -46.3420 O   0  0  0  0  0
    3.5940   29.9820  -47.2730 N   0  0  0  0  0
    3.2761   31.1623  -48.0910 C   0  0  0  0  0
    3.9408   32.4445  -47.5909 C   0  0  0  0  0
    3.0221   33.6098  -47.8890 C   0  0  0  0  0
    2.5201   33.8182  -48.9873 O   0  0  0  0  0
    2.7769   34.4481  -46.8440 N   0  0  0  0  0
    3.5945   30.8318  -49.5619 C   0  0  0  0  0
    4.6417   31.2151  -50.0926 O   0  0  0  0  0
    2.7845   29.9948  -50.2747 N   0  0  0  0  0
    1.3745   29.6383  -50.0567 C   0  0  0  0  0
    1.1515   28.6332  -48.9235 C   0  0  0  0  0
   -0.1813   27.8930  -49.0848 C   0  0  0  0  0
   -0.4449   26.9635  -47.9020 C   0  0  0  0  0
   -1.7394   26.3309  -48.0449 N   0  0  0  0  0
   -1.9854   25.2122  -48.7569 C   0  0  0  0  0
   -1.2125   24.5834  -49.5596 N   0  0  0  0  0
   -3.2395   24.7665  -48.5575 N   0  0  0  0  0
    0.5902   30.9492  -49.8696 C   0  0  0  0  0
   -0.1152   31.1708  -48.8849 O   0  0  0  0  0
    0.8431   31.9692  -50.7491 N   0  0  0  0  0
    0.4192   31.9725  -52.1553 C   0  0  0  0  0
    0.8653   30.7877  -53.0228 C   0  0  0  0  0
    0.8159   31.0977  -54.5362 C   0  0  0  0  0
    2.0220   31.9330  -54.9797 C   0  0  0  0  0
    0.7897   29.7957  -55.3404 C   0  0  0  0  0
   -1.1120   32.1020  -52.0783 C   0  0  0  0  0
   -1.8480   31.1121  -52.0671 O   0  0  0  0  0
   -1.6889   33.3181  -51.8419 N   0  0  0  0  0
   -1.2050   34.6616  -52.1906 C   0  0  0  0  0
   -0.0156   35.1719  -51.3594 C   0  0  0  0  0
    0.1450   36.7099  -51.3959 C   0  0  0  0  0
   -0.8843   37.4157  -50.5089 C   0  0  0  0  0
    1.5518   37.1016  -50.9328 C   0  0  0  0  0
   -0.9556   34.6376  -53.7127 C   0  0  0  0  0
    0.1749   34.5483  -54.1942 O   0  0  0  0  0
   -2.0088   34.5807  -54.5868 N   0  0  0  0  0
   -3.2848   35.2978  -54.4532 C   0  0  0  0  0
   -4.2827   34.6120  -53.5091 C   0  0  0  0  0
   -5.7531   35.0409  -53.7063 C   0  0  0  0  0
   -6.3198   34.6026  -55.0582 C   0  0  0  0  0
   -6.6107   34.4451  -52.5840 C   0  0  0  0  0
   -2.9192   36.7439  -54.0676 C   0  0  0  0  0
   -3.2838   37.2641  -53.0123 O   0  0  0  0  0
   -2.0467   37.4639  -54.8531 N   0  0  0  0  0
   -2.2383   37.7228  -56.2988 C   0  0  0  0  0
   -2.0303   36.5374  -57.2250 C   0  0  0  0  0
   -1.7971   37.0328  -58.6209 C   0  0  0  0  0
   -2.6571   37.3554  -59.4214 O   0  0  0  0  0
   -0.4901   37.1110  -58.9304 O   0  0  0  0  0
   -3.6505   38.3074  -56.3480 C   0  0  0  0  0
   -4.6377   37.5711  -56.4340 O   0  0  0  0  0
   -3.8662   39.6076  -56.0010 N   0  0  0  0  0
   -3.0647   40.8302  -56.2319 C   0  0  0  0  0
   -1.8980   41.0410  -55.2279 C   0  0  0  0  0
   -0.4684   40.9810  -55.7497 C   0  0  0  0  0
   -2.0540   42.3356  -54.6203 O   0  0  0  0  0
   -2.7366   40.9007  -57.7325 C   0  0  0  0  0
   -1.8548   40.1762  -58.2122 O   0  0  0  0  0
   -3.4556   41.6279  -58.6289 N   0  0  0  0  0
   -4.4977   42.6696  -58.5571 C   0  0  0  0  0
   -5.9837   42.2296  -58.3996 C   0  0  0  0  0
   -6.3041   41.4592  -57.1287 C   0  0  0  0  0
   -6.9271   43.4464  -58.5758 C   0  0  0  0  0
   -8.4134   43.1161  -58.4971 C   0  0  0  0  0
   -4.0783   43.8700  -57.7021 C   0  0  0  0  0
   -4.0968   43.9496  -56.4867 O   0  0  0  0  0
   -3.5910   44.8900  -58.4405 O   0  0  0  0  0
   12.0554   -4.9852    1.2124 N   0  0  0  0  0
   12.7387   -5.0473    2.4021 C   0  0  0  0  0
   13.8305   -5.6265    2.3912 O   0  0  0  0  0
   12.3003   -4.1729    3.6272 C   0  0  0  0  0
   10.8523   -4.2295    4.0955 C   0  0  0  0  0
   10.7988   -5.5465    4.8553 C   0  0  0  0  0
   12.1478   -5.5827    5.5628 C   0  0  0  0  0
   13.0071   -4.6618    4.8225 N   0  0  0  0  0
   14.2938   -4.4687    5.2620 C   0  0  0  0  0
   14.6811   -5.1069    6.2576 O   0  0  0  0  0
   15.2457   -3.3482    4.7562 C   0  0  0  0  0
   15.1215   -2.6885    3.3894 C   0  0  0  0  0
   14.4988   -1.3067    3.6214 C   0  0  0  0  0
   14.3016   -1.1843    5.1218 C   0  0  0  0  0
   15.1406   -2.2166    5.6867 N   0  0  0  0  0
   15.6863   -2.0692    6.9425 C   0  0  0  0  0
   15.4546   -1.0511    7.6060 O   0  0  0  0  0
   16.6012   -3.1727    7.5143 C   0  0  0  0  0
   17.7195   -2.5389    8.2047 N   0  0  0  0  0
   17.8223   -2.1019    9.4868 C   0  0  0  0  0
   18.7577   -1.3318    9.7380 O   0  0  0  0  0
   16.9060   -2.5783   10.6228 C   0  0  0  0  0
   15.4104   -2.3328   10.5488 C   0  0  0  0  0
   14.8440   -3.3463   11.5453 C   0  0  0  0  0
   15.8815   -4.4437   11.5497 C   0  0  0  0  0
   15.7923   -5.5208   12.1113 O   0  0  0  0  0
   16.9893   -3.9957   10.8621 N   0  0  0  0  0
    6.7373   -5.7067   -1.3942 H   0  0  0  0  0
    8.1864   -5.2283   -2.2929 H   0  0  0  0  0
    7.3717   -4.0717   -1.2170 H   0  0  0  0  0
    8.5997   -6.6944   -0.2643 H   0  0  0  0  0
    7.9802   -5.4116    0.7594 H   0  0  0  0  0
   10.4427   -5.1452   -1.0658 H   0  0  0  0  0
    9.2803   -3.1972    0.9803 H   0  0  0  0  0
    9.3066   -2.9827   -0.7791 H   0  0  0  0  0
   10.8141   -2.9858    0.1174 H   0  0  0  0  0
   10.1652   -5.4444    1.9470 H   0  0  0  0  0
   11.6873   -8.7829    0.3826 H   0  0  0  0  0
   12.4424   -8.5927   -1.5847 H   0  0  0  0  0
   10.1669   -6.7950   -2.4331 H   0  0  0  0  0
    9.7993   -8.3460   -1.6352 H   0  0  0  0  0
    9.9813   -8.4825   -3.9069 H   0  0  0  0  0
   12.5589   -7.4141   -3.7466 H   0  0  0  0  0
   14.4868   -5.1925   -3.3572 H   0  0  0  0  0
   15.6786   -7.3185   -3.6256 H   0  0  0  0  0
   14.3064   -7.7684   -6.3200 H   0  0  0  0  0
   13.9178   -8.6472   -4.8286 H   0  0  0  0  0
   15.5068   -8.8024   -5.5388 H   0  0  0  0  0
   16.5904   -5.2453   -4.7179 H   0  0  0  0  0
   15.8899   -5.7823   -6.2513 H   0  0  0  0  0
   17.9563   -7.3569   -4.6335 H   0  0  0  0  0
   18.3208   -6.3011   -6.0081 H   0  0  0  0  0
   17.3635   -7.7604   -6.2591 H   0  0  0  0  0
   12.4170   -3.8746   -6.1027 H   0  0  0  0  0
   13.2624   -1.9873   -5.1115 H   0  0  0  0  0
   15.7047   -3.4210   -3.9807 H   0  0  0  0  0
   14.2652   -3.0316   -3.0393 H   0  0  0  0  0
   14.9088    0.2809   -3.0525 H   0  0  0  0  0
   15.1003   -1.9265   -8.2474 H   0  0  0  0  0
   13.4187   -0.5977   -8.7219 H   0  0  0  0  0
   11.7472   -1.3301   -6.2945 H   0  0  0  0  0
   11.8078   -2.3640   -7.7153 H   0  0  0  0  0
   11.1045    0.6109   -7.8712 H   0  0  0  0  0
   10.4878   -1.7349   -9.7543 H   0  0  0  0  0
   11.6982   -0.4822  -10.0554 H   0  0  0  0  0
    9.9903   -0.0520   -9.9896 H   0  0  0  0  0
    9.1943   -1.7555   -7.5067 H   0  0  0  0  0
    8.7199   -0.0800   -7.8424 H   0  0  0  0  0
    9.5209   -0.4810   -6.3185 H   0  0  0  0  0
   15.9187    1.9248   -5.9650 H   0  0  0  0  0
   14.3993    2.8527   -5.9397 H   0  0  0  0  0
   15.0336    4.1726   -7.8004 H   0  0  0  0  0
   16.6633    3.8446   -7.1912 H   0  0  0  0  0
   16.1314    3.1291   -9.7023 H   0  0  0  0  0
   16.9165    1.9391   -8.6671 H   0  0  0  0  0
   15.0171    0.6358   -9.3424 H   0  0  0  0  0
   12.1465    2.1709  -10.7733 H   0  0  0  0  0
   13.0493    2.0126  -12.7332 H   0  0  0  0  0
   14.0539    4.1646  -13.2027 H   0  0  0  0  0
   11.9473    4.5192  -11.0375 H   0  0  0  0  0
   11.5972    3.8902  -12.6590 H   0  0  0  0  0
   12.2269    5.5204  -12.4690 H   0  0  0  0  0
   15.7093    4.3254  -11.4210 H   0  0  0  0  0
   14.4269    4.6543  -10.2419 H   0  0  0  0  0
   15.0050    6.3685  -12.7072 H   0  0  0  0  0
   15.5913    6.6990  -11.0688 H   0  0  0  0  0
   13.8591    6.7475  -11.4034 H   0  0  0  0  0
   16.4427    1.2325  -13.6821 H   0  0  0  0  0
   15.6118    1.5932  -15.6869 H   0  0  0  0  0
   15.0395   -0.5945  -15.0059 H   0  0  0  0  0
   13.4552   -0.2489  -13.1541 H   0  0  0  0  0
   12.8081   -1.3404  -14.3500 H   0  0  0  0  0
   12.2133    0.3171  -14.2918 H   0  0  0  0  0
   14.5466    0.3061  -17.3055 H   0  0  0  0  0
   12.8669    0.5477  -16.8382 H   0  0  0  0  0
   14.3055   -2.1564  -16.8002 H   0  0  0  0  0
   13.2647   -1.5658  -18.1053 H   0  0  0  0  0
   12.5723   -1.8857  -16.5152 H   0  0  0  0  0
   13.5738    4.5630  -15.8709 H   0  0  0  0  0
   15.5651    5.4961  -16.1134 H   0  0  0  0  0
   17.1944    3.0289  -15.4681 H   0  0  0  0  0
   16.5092    4.0151  -14.1737 H   0  0  0  0  0
   18.1878    5.2901  -16.3671 H   0  0  0  0  0
   17.7474    6.0250  -13.4162 H   0  0  0  0  0
   16.8792    6.7706  -14.7593 H   0  0  0  0  0
   18.6294    6.9739  -14.6226 H   0  0  0  0  0
   19.2216    3.9750  -13.8004 H   0  0  0  0  0
   20.1742    4.9905  -14.8989 H   0  0  0  0  0
   19.5431    3.4363  -15.4582 H   0  0  0  0  0
   15.7577    4.2322  -19.5159 H   0  0  0  0  0
   15.3024    6.3567  -19.8541 H   0  0  0  0  0
   13.9639    6.4821  -17.1194 H   0  0  0  0  0
   13.2431    5.6593  -18.4872 H   0  0  0  0  0
   14.0877    8.6068  -18.5734 H   0  0  0  0  0
   12.1587    6.9829  -20.3208 H   0  0  0  0  0
   13.7464    7.5870  -20.8196 H   0  0  0  0  0
   12.4523    8.7242  -20.4511 H   0  0  0  0  0
   11.3470    7.4328  -17.8733 H   0  0  0  0  0
   11.7117    9.1505  -18.1205 H   0  0  0  0  0
   12.4348    8.2828  -16.7610 H   0  0  0  0  0
   18.2327    7.8090  -18.1744 H   0  0  0  0  0
   19.2564    7.0555  -19.9792 H   0  0  0  0  0
   16.8777    5.5220  -21.0556 H   0  0  0  0  0
   18.0379    4.8003  -19.9386 H   0  0  0  0  0
   19.0167    6.1469  -22.4955 H   0  0  0  0  0
   18.2371    4.5803  -22.5760 H   0  0  0  0  0
   19.8555    3.5901  -21.0161 H   0  0  0  0  0
   20.6871    5.1168  -20.8103 H   0  0  0  0  0
   20.8052    3.2557  -23.0227 H   0  0  0  0  0
   21.9888    6.2554  -21.9155 H   0  0  0  0  0
   21.4885    4.2141  -25.0669 H   0  0  0  0  0
   22.9028    5.0688  -24.8823 H   0  0  0  0  0
   17.8494    9.7918  -21.9525 H   0  0  0  0  0
   19.8689   10.5445  -21.5707 H   0  0  0  0  0
   20.0356    8.8990  -19.0113 H   0  0  0  0  0
   19.0707   10.3612  -19.1680 H   0  0  0  0  0
   21.0926   11.6612  -19.7787 H   0  0  0  0  0
   22.0818   10.2004  -19.7280 H   0  0  0  0  0
   21.5311    9.9088  -17.3049 H   0  0  0  0  0
   20.5507   11.3769  -17.3515 H   0  0  0  0  0
   22.5710   12.7113  -18.0092 H   0  0  0  0  0
   23.5575   11.2429  -17.9737 H   0  0  0  0  0
   23.0276   10.9992  -15.6650 H   0  0  0  0  0
   23.7419   12.4350  -15.9534 H   0  0  0  0  0
   21.8447    7.8503  -23.1279 H   0  0  0  0  0
   21.6659    9.2076  -24.8083 H   0  0  0  0  0
   19.3735   10.7831  -23.5904 H   0  0  0  0  0
   19.1810    9.2803  -24.4954 H   0  0  0  0  0
   20.3044   10.3671  -26.4758 H   0  0  0  0  0
   20.4790   11.8651  -25.5295 H   0  0  0  0  0
   17.6955   12.9606  -27.9647 H   0  0  0  0  0
   19.1276   11.9711  -28.3148 H   0  0  0  0  0
   19.2500   13.3693  -27.2085 H   0  0  0  0  0
   23.5960   12.0978  -23.7778 H   0  0  0  0  0
   24.8535   11.3226  -25.3857 H   0  0  0  0  0
   25.6067   10.4374  -23.3644 H   0  0  0  0  0
   24.0650    7.8698  -23.9184 H   0  0  0  0  0
   23.8359    9.0070  -22.5658 H   0  0  0  0  0
   25.2977    8.0670  -22.6748 H   0  0  0  0  0
   26.7362    9.9713  -25.6088 H   0  0  0  0  0
   26.0734    8.3383  -25.5357 H   0  0  0  0  0
   27.9099    9.5684  -23.4168 H   0  0  0  0  0
   28.4257    8.4975  -24.7293 H   0  0  0  0  0
   27.3568    7.8812  -23.4692 H   0  0  0  0  0
   23.1926    9.8280  -28.1758 H   0  0  0  0  0
   23.4818   11.8883  -28.8769 H   0  0  0  0  0
   23.9156   13.0795  -26.1309 H   0  0  0  0  0
   22.3261   12.6717  -26.7607 H   0  0  0  0  0
   22.9011   14.0990  -28.8181 H   0  0  0  0  0
   24.3355   14.6591  -27.9465 H   0  0  0  0  0
   22.1708   16.1252  -25.4973 H   0  0  0  0  0
   27.1133   11.5342  -29.0867 H   0  0  0  0  0
   26.4226   10.6527  -31.0373 H   0  0  0  0  0
   27.3402    9.0074  -29.7054 H   0  0  0  0  0
   24.5924    8.0880  -28.7699 H   0  0  0  0  0
   25.7997    8.9617  -27.7918 H   0  0  0  0  0
   26.1545    7.3619  -28.3970 H   0  0  0  0  0
   26.4829    8.5322  -32.0204 H   0  0  0  0  0
   25.0202    7.8378  -31.3299 H   0  0  0  0  0
   27.8515    6.8095  -30.7790 H   0  0  0  0  0
   26.7244    6.1335  -31.9663 H   0  0  0  0  0
   26.3364    6.0476  -30.2474 H   0  0  0  0  0
   22.9404   11.4850  -31.6237 H   0  0  0  0  0
   24.2449   13.4293  -32.2946 H   0  0  0  0  0
   26.5087   11.4996  -32.9010 H   0  0  0  0  0
   26.5082   12.7060  -31.5993 H   0  0  0  0  0
   26.2708   14.5291  -33.2491 H   0  0  0  0  0
   26.2437   13.3340  -34.5765 H   0  0  0  0  0
   29.5612   14.2874  -34.4940 H   0  0  0  0  0
   22.5205   11.9500  -35.1659 H   0  0  0  0  0
   21.0849   13.5188  -34.5386 H   0  0  0  0  0
   22.3839   13.9197  -31.8217 H   0  0  0  0  0
   21.1598   12.7055  -32.1752 H   0  0  0  0  0
   19.5695   14.5045  -32.8196 H   0  0  0  0  0
   20.8234   15.7250  -32.5631 H   0  0  0  0  0
   21.0384   14.9472  -30.1719 H   0  0  0  0  0
   19.7135   13.8151  -30.4382 H   0  0  0  0  0
   18.1833   15.7336  -30.9616 H   0  0  0  0  0
   19.5219   16.8676  -30.7171 H   0  0  0  0  0
   18.2784   16.6993  -28.7482 H   0  0  0  0  0
   19.7423   16.0402  -28.4824 H   0  0  0  0  0
   23.2691   16.1604  -35.7874 H   0  0  0  0  0
   21.7685   15.9826  -37.4034 H   0  0  0  0  0
   21.0079   13.1565  -36.5791 H   0  0  0  0  0
   22.4592   13.5355  -37.4800 H   0  0  0  0  0
   21.1838   14.4748  -39.3340 H   0  0  0  0  0
   19.6826   14.4573  -38.4127 H   0  0  0  0  0
   18.7444   12.3582  -37.7043 H   0  0  0  0  0
   19.0914   10.9685  -38.6923 H   0  0  0  0  0
   19.0325   17.0954  -35.1999 H   0  0  0  0  0
   19.9564   19.0568  -35.6996 H   0  0  0  0  0
   22.4147   17.9127  -37.0576 H   0  0  0  0  0
   22.3203   18.2049  -35.3180 H   0  0  0  0  0
   21.8739   20.5888  -35.7041 H   0  0  0  0  0
   21.7781   20.3156  -37.4631 H   0  0  0  0  0
   25.4242   19.6082  -36.3414 H   0  0  0  0  0
   18.3257   18.6690  -38.9473 H   0  0  0  0  0
   16.8308   19.8259  -37.8226 H   0  0  0  0  0
   18.0074   19.2408  -35.0856 H   0  0  0  0  0
   17.0125   18.0847  -35.9699 H   0  0  0  0  0
   15.1752   19.7484  -36.0905 H   0  0  0  0  0
   16.1843   20.9516  -35.2798 H   0  0  0  0  0
   16.3316   19.4681  -33.2696 H   0  0  0  0  0
   15.3213   18.2683  -34.0808 H   0  0  0  0  0
   13.4576   19.9488  -34.2459 H   0  0  0  0  0
   14.4686   21.1513  -33.4427 H   0  0  0  0  0
   13.6389   18.5795  -32.2883 H   0  0  0  0  0
   14.5887   19.6755  -31.5466 H   0  0  0  0  0
   18.9465   22.8221  -37.8175 H   0  0  0  0  0
   17.8767   23.0643  -39.7173 H   0  0  0  0  0
   16.7308   20.2471  -39.8093 H   0  0  0  0  0
   18.3781   20.6178  -40.3171 H   0  0  0  0  0
   17.5205   22.2010  -42.0065 H   0  0  0  0  0
   15.8564   21.9552  -41.4085 H   0  0  0  0  0
   17.1017   18.6210  -42.9588 H   0  0  0  0  0
   14.7304   23.9002  -38.0937 H   0  0  0  0  0
   15.2745   25.8033  -39.0620 H   0  0  0  0  0
   18.2196   25.0370  -38.8827 H   0  0  0  0  0
   17.2477   25.5113  -37.4973 H   0  0  0  0  0
   16.6901   27.6761  -38.6141 H   0  0  0  0  0
   17.6494   27.2109  -40.0187 H   0  0  0  0  0
   19.6897   27.0559  -38.5753 H   0  0  0  0  0
   18.7288   27.5279  -37.1707 H   0  0  0  0  0
   18.1572   29.7030  -38.2955 H   0  0  0  0  0
   19.1348   29.2343  -39.6937 H   0  0  0  0  0
   21.0359   29.1137  -38.2584 H   0  0  0  0  0
   20.3655   30.5983  -38.2222 H   0  0  0  0  0
   15.3860   24.6181  -42.5388 H   0  0  0  0  0
   13.1873   24.7058  -42.2634 H   0  0  0  0  0
   13.2357   25.0486  -39.2564 H   0  0  0  0  0
   13.2971   23.4675  -40.0404 H   0  0  0  0  0
   11.1550   23.9948  -41.2363 H   0  0  0  0  0
   11.0849   25.5580  -40.4167 H   0  0  0  0  0
   11.0516   25.5544  -37.9512 H   0  0  0  0  0
   10.3194   24.1720  -37.2056 H   0  0  0  0  0
   13.5364   28.3375  -42.4237 H   0  0  0  0  0
   12.9216   27.8074  -44.4881 H   0  0  0  0  0
   13.7808   24.9050  -44.2108 H   0  0  0  0  0
   14.8984   26.2154  -44.5315 H   0  0  0  0  0
   13.6155   26.8278  -46.5892 H   0  0  0  0  0
   12.4314   25.5655  -46.2502 H   0  0  0  0  0
   13.1898   23.2515  -46.1307 H   0  0  0  0  0
   14.5759   22.8373  -47.0930 H   0  0  0  0  0
    9.6803   26.7357  -43.1017 H   0  0  0  0  0
    9.3539   28.9449  -43.3232 H   0  0  0  0  0
   12.2287   29.6425  -43.9762 H   0  0  0  0  0
   11.5483   29.6361  -42.3352 H   0  0  0  0  0
   10.8810   30.6792  -43.5991 H   0  0  0  0  0
    9.0039   27.8705  -46.8056 H   0  0  0  0  0
    6.9329   27.6663  -46.0384 H   0  0  0  0  0
    7.5801   28.0413  -43.1056 H   0  0  0  0  0
    7.5915   26.4804  -43.9538 H   0  0  0  0  0
    6.1237   27.4625  -43.8633 H   0  0  0  0  0
    6.7148   31.3101  -46.2811 H   0  0  0  0  0
    5.9538   30.6650  -48.2409 H   0  0  0  0  0
    6.7554   27.7203  -48.0229 H   0  0  0  0  0
    7.9046   28.9749  -48.4871 H   0  0  0  0  0
    7.6013   30.0869  -50.5488 H   0  0  0  0  0
    6.5330   29.3849  -51.6920 H   0  0  0  0  0
    2.8172   29.5498  -46.7874 H   0  0  0  0  0
    2.1995   31.2815  -47.9740 H   0  0  0  0  0
    4.9041   32.6539  -48.0658 H   0  0  0  0  0
    4.1145   32.3870  -46.5100 H   0  0  0  0  0
    3.0253   34.2362  -45.8875 H   0  0  0  0  0
    2.1204   35.2034  -47.0028 H   0  0  0  0  0
    3.1721   29.7696  -51.1825 H   0  0  0  0  0
    1.0445   29.1640  -50.9829 H   0  0  0  0  0
    1.1449   29.1359  -47.9528 H   0  0  0  0  0
    1.9676   27.9004  -48.9082 H   0  0  0  0  0
   -0.1723   27.3222  -50.0211 H   0  0  0  0  0
   -1.0047   28.6132  -49.1687 H   0  0  0  0  0
   -0.4469   27.5500  -46.9756 H   0  0  0  0  0
    0.3487   26.2145  -47.8003 H   0  0  0  0  0
   -2.3169   26.3948  -47.2134 H   0  0  0  0  0
   -0.3088   25.0530  -49.6032 H   0  0  0  0  0
   -3.9292   25.4992  -48.6666 H   0  0  0  0  0
   -3.4266   24.0105  -49.2099 H   0  0  0  0  0
    0.5594   32.8302  -50.2942 H   0  0  0  0  0
    0.8576   32.8725  -52.5722 H   0  0  0  0  0
    0.2296   29.9185  -52.8206 H   0  0  0  0  0
    1.8920   30.5043  -52.7729 H   0  0  0  0  0
   -0.1017   31.6527  -54.7656 H   0  0  0  0  0
    2.9583   31.3811  -54.8412 H   0  0  0  0  0
    2.1055   32.8657  -54.4169 H   0  0  0  0  0
    1.9404   32.1935  -56.0405 H   0  0  0  0  0
    1.6791   29.1880  -55.1415 H   0  0  0  0  0
    0.7535   30.0033  -56.4152 H   0  0  0  0  0
   -0.0931   29.1998  -55.0867 H   0  0  0  0  0
   -2.6925   33.2172  -51.7500 H   0  0  0  0  0
   -2.0445   35.3171  -51.9737 H   0  0  0  0  0
    0.9193   34.7306  -51.7143 H   0  0  0  0  0
   -0.1379   34.8590  -50.3150 H   0  0  0  0  0
    0.0216   37.0636  -52.4267 H   0  0  0  0  0
   -0.7729   37.1193  -49.4602 H   0  0  0  0  0
   -1.9089   37.1886  -50.8106 H   0  0  0  0  0
   -0.7599   38.5028  -50.5646 H   0  0  0  0  0
    1.7411   36.7651  -49.9076 H   0  0  0  0  0
    1.6829   38.1888  -50.9627 H   0  0  0  0  0
    2.3136   36.6580  -51.5823 H   0  0  0  0  0
   -1.6724   34.4621  -55.5329 H   0  0  0  0  0
   -3.7163   35.3013  -55.4520 H   0  0  0  0  0
   -4.0224   34.8197  -52.4673 H   0  0  0  0  0
   -4.2123   33.5238  -53.6377 H   0  0  0  0  0
   -5.8220   36.1334  -53.6382 H   0  0  0  0  0
   -6.1988   33.5246  -55.2088 H   0  0  0  0  0
   -5.8305   35.1184  -55.8884 H   0  0  0  0  0
   -7.3887   34.8338  -55.1235 H   0  0  0  0  0
   -6.5845   33.3498  -52.6041 H   0  0  0  0  0
   -7.6549   34.7606  -52.6805 H   0  0  0  0  0
   -6.2538   34.7742  -51.6024 H   0  0  0  0  0
   -1.8231   38.3079  -54.3438 H   0  0  0  0  0
   -1.5072   38.4851  -56.5466 H   0  0  0  0  0
   -2.8735   35.8443  -57.2724 H   0  0  0  0  0
   -1.1510   35.9570  -56.9239 H   0  0  0  0  0
   -0.4766   37.4921  -59.8343 H   0  0  0  0  0
   -4.8444   39.7629  -55.7994 H   0  0  0  0  0
   -3.7815   41.6234  -56.0264 H   0  0  0  0  0
   -2.0073   40.3345  -54.4002 H   0  0  0  0  0
   -0.2947   41.7354  -56.5233 H   0  0  0  0  0
   -0.1958   40.0003  -56.1395 H   0  0  0  0  0
    0.2349   41.2104  -54.9396 H   0  0  0  0  0
   -1.4202   42.4066  -53.8852 H   0  0  0  0  0
   -3.1068   41.4528  -59.5653 H   0  0  0  0  0
   -4.4708   43.0628  -59.5862 H   0  0  0  0  0
   -6.1974   41.5404  -59.2296 H   0  0  0  0  0
   -5.9380   41.9615  -56.2305 H   0  0  0  0  0
   -5.8784   40.4623  -57.2174 H   0  0  0  0  0
   -7.3751   41.2892  -56.9912 H   0  0  0  0  0
   -6.7315   43.8976  -59.5563 H   0  0  0  0  0
   -6.7099   44.2131  -57.8234 H   0  0  0  0  0
   -8.6611   42.2360  -59.0980 H   0  0  0  0  0
   -9.0059   43.9600  -58.8637 H   0  0  0  0  0
   -8.7249   42.9337  -57.4633 H   0  0  0  0  0
   -3.3125   45.5553  -57.7757 H   0  0  0  0  0
   12.6869   -5.3097    0.4731 H   0  0  0  0  0
   12.5669   -3.1414    3.4123 H   0  0  0  0  0
   10.0947   -4.1204    3.3234 H   0  0  0  0  0
   10.6729   -3.4108    4.8071 H   0  0  0  0  0
    9.9600   -5.6010    5.5549 H   0  0  0  0  0
   10.7156   -6.3895    4.1617 H   0  0  0  0  0
   12.0660   -5.2278    6.5964 H   0  0  0  0  0
   12.5826   -6.5877    5.5663 H   0  0  0  0  0
   16.2497   -3.7828    4.8167 H   0  0  0  0  0
   14.6023   -3.2646    2.6295 H   0  0  0  0  0
   16.1303   -2.5294    2.9839 H   0  0  0  0  0
   15.1873   -0.5304    3.2668 H   0  0  0  0  0
   13.5591   -1.1667    3.0789 H   0  0  0  0  0
   14.5549   -0.1881    5.4964 H   0  0  0  0  0
   13.2657   -1.4085    5.4012 H   0  0  0  0  0
   17.0483   -3.7773    6.7259 H   0  0  0  0  0
   16.0384   -3.8160    8.1908 H   0  0  0  0  0
   18.3922   -2.0702    7.6108 H   0  0  0  0  0
   17.2831   -2.0992   11.5381 H   0  0  0  0  0
   14.9867   -2.5476    9.5678 H   0  0  0  0  0
   15.1386   -1.3031   10.7995 H   0  0  0  0  0
   14.7725   -2.9186   12.5497 H   0  0  0  0  0
   13.8729   -3.7314   11.2248 H   0  0  0  0  0
   17.8582   -4.5127   10.9227 H   0  0  0  0  0
  1  2  1  0  0  0
  1323  1  0  0  0
  1324  1  0  0  0
  1325  1  0  0  0
  2  3  1  0  0  0
  2326  1  0  0  0
  2327  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3328  1  0  0  0
  4329  1  0  0  0
  4330  1  0  0  0
  4331  1  0  0  0
  5296  1  0  0  0
  5  6  1  0  0  0
  5332  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8333  1  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
  9334  1  0  0  0
 10 11  1  0  0  0
 10335  1  0  0  0
 10336  1  0  0  0
 11337  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14338  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 15339  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 16340  1  0  0  0
 17341  1  0  0  0
 17342  1  0  0  0
 17343  1  0  0  0
 18 19  1  0  0  0
 18344  1  0  0  0
 18345  1  0  0  0
 19346  1  0  0  0
 19347  1  0  0  0
 19348  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22349  1  0  0  0
 23 28  1  0  0  0
 23 24  1  0  0  0
 23350  1  0  0  0
 24 25  1  0  0  0
 24351  1  0  0  0
 24352  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27353  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30 31  1  0  0  0
 30354  1  0  0  0
 31 36  1  0  0  0
 31 32  1  0  0  0
 31355  1  0  0  0
 32 33  1  0  0  0
 32356  1  0  0  0
 32357  1  0  0  0
 33 35  1  0  0  0
 33 34  1  0  0  0
 33358  1  0  0  0
 34359  1  0  0  0
 34360  1  0  0  0
 34361  1  0  0  0
 35362  1  0  0  0
 35363  1  0  0  0
 35364  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
 39365  1  0  0  0
 39366  1  0  0  0
 40 41  1  0  0  0
 40367  1  0  0  0
 40368  1  0  0  0
 41 42  1  0  0  0
 41369  1  0  0  0
 41370  1  0  0  0
 42 43  1  0  0  0
 42371  1  0  0  0
 43 45  1  0  0  0
 43 44  2  0  0  0
 45 46  1  0  0  0
 45372  1  0  0  0
 46 51  1  0  0  0
 46 47  1  0  0  0
 46373  1  0  0  0
 47 49  1  0  0  0
 47 48  1  0  0  0
 47374  1  0  0  0
 48375  1  0  0  0
 48376  1  0  0  0
 48377  1  0  0  0
 49 50  1  0  0  0
 49378  1  0  0  0
 49379  1  0  0  0
 50380  1  0  0  0
 50381  1  0  0  0
 50382  1  0  0  0
 51 53  1  0  0  0
 51 52  2  0  0  0
 53 54  1  0  0  0
 53383  1  0  0  0
 54 59  1  0  0  0
 54 55  1  0  0  0
 54384  1  0  0  0
 55 57  1  0  0  0
 55 56  1  0  0  0
 55385  1  0  0  0
 56386  1  0  0  0
 56387  1  0  0  0
 56388  1  0  0  0
 57 58  1  0  0  0
 57389  1  0  0  0
 57390  1  0  0  0
 58391  1  0  0  0
 58392  1  0  0  0
 58393  1  0  0  0
 59 61  1  0  0  0
 59 60  2  0  0  0
 61 62  1  0  0  0
 61394  1  0  0  0
 62 67  1  0  0  0
 62 63  1  0  0  0
 62395  1  0  0  0
 63 64  1  0  0  0
 63396  1  0  0  0
 63397  1  0  0  0
 64 66  1  0  0  0
 64 65  1  0  0  0
 64398  1  0  0  0
 65399  1  0  0  0
 65400  1  0  0  0
 65401  1  0  0  0
 66402  1  0  0  0
 66403  1  0  0  0
 66404  1  0  0  0
 67 69  1  0  0  0
 67 68  2  0  0  0
 69 70  1  0  0  0
 69405  1  0  0  0
 70 75  1  0  0  0
 70 71  1  0  0  0
 70406  1  0  0  0
 71 72  1  0  0  0
 71407  1  0  0  0
 71408  1  0  0  0
 72 74  1  0  0  0
 72 73  1  0  0  0
 72409  1  0  0  0
 73410  1  0  0  0
 73411  1  0  0  0
 73412  1  0  0  0
 74413  1  0  0  0
 74414  1  0  0  0
 74415  1  0  0  0
 75 77  1  0  0  0
 75 76  2  0  0  0
 77 78  1  0  0  0
 77416  1  0  0  0
 78 86  1  0  0  0
 78 79  1  0  0  0
 78417  1  0  0  0
 79 80  1  0  0  0
 79418  1  0  0  0
 79419  1  0  0  0
 80 81  1  0  0  0
 80420  1  0  0  0
 80421  1  0  0  0
 81 82  1  0  0  0
 81422  1  0  0  0
 81423  1  0  0  0
 82 83  1  0  0  0
 82424  1  0  0  0
 83 85  1  0  0  0
 83 84  2  0  0  0
 84425  1  0  0  0
 85426  1  0  0  0
 85427  1  0  0  0
 86 88  1  0  0  0
 86 87  2  0  0  0
 88 89  1  0  0  0
 88428  1  0  0  0
 89 95  1  0  0  0
 89 90  1  0  0  0
 89429  1  0  0  0
 90 91  1  0  0  0
 90430  1  0  0  0
 90431  1  0  0  0
 91 92  1  0  0  0
 91432  1  0  0  0
 91433  1  0  0  0
 92 93  1  0  0  0
 92434  1  0  0  0
 92435  1  0  0  0
 93 94  1  0  0  0
 93436  1  0  0  0
 93437  1  0  0  0
 94438  1  0  0  0
 94439  1  0  0  0
 95 97  1  0  0  0
 95 96  2  0  0  0
 97 98  1  0  0  0
 97440  1  0  0  0
 98103  1  0  0  0
 98 99  1  0  0  0
 98441  1  0  0  0
 99100  1  0  0  0
 99442  1  0  0  0
 99443  1  0  0  0
100101  1  0  0  0
100444  1  0  0  0
100445  1  0  0  0
101102  1  0  0  0
102446  1  0  0  0
102447  1  0  0  0
102448  1  0  0  0
103105  1  0  0  0
103104  2  0  0  0
105106  1  0  0  0
105449  1  0  0  0
106111  1  0  0  0
106107  1  0  0  0
106450  1  0  0  0
107109  1  0  0  0
107108  1  0  0  0
107451  1  0  0  0
108452  1  0  0  0
108453  1  0  0  0
108454  1  0  0  0
109110  1  0  0  0
109455  1  0  0  0
109456  1  0  0  0
110457  1  0  0  0
110458  1  0  0  0
110459  1  0  0  0
111113  1  0  0  0
111112  2  0  0  0
113114  1  0  0  0
113460  1  0  0  0
114120  1  0  0  0
114115  1  0  0  0
114461  1  0  0  0
115116  1  0  0  0
115462  1  0  0  0
115463  1  0  0  0
116117  1  0  0  0
116464  1  0  0  0
116465  1  0  0  0
117119  1  0  0  0
117118  2  0  0  0
119466  1  0  0  0
120122  1  0  0  0
120121  2  0  0  0
122123  1  0  0  0
122467  1  0  0  0
123128  1  0  0  0
123124  1  0  0  0
123468  1  0  0  0
124126  1  0  0  0
124125  1  0  0  0
124469  1  0  0  0
125470  1  0  0  0
125471  1  0  0  0
125472  1  0  0  0
126127  1  0  0  0
126473  1  0  0  0
126474  1  0  0  0
127475  1  0  0  0
127476  1  0  0  0
127477  1  0  0  0
128130  1  0  0  0
128129  2  0  0  0
130131  1  0  0  0
130478  1  0  0  0
131137  1  0  0  0
131132  1  0  0  0
131479  1  0  0  0
132133  1  0  0  0
132480  1  0  0  0
132481  1  0  0  0
133134  1  0  0  0
133482  1  0  0  0
133483  1  0  0  0
134136  1  0  0  0
134135  2  0  0  0
136484  1  0  0  0
137139  1  0  0  0
137138  2  0  0  0
139140  1  0  0  0
139485  1  0  0  0
140146  1  0  0  0
140141  1  0  0  0
140486  1  0  0  0
141142  1  0  0  0
141487  1  0  0  0
141488  1  0  0  0
142143  1  0  0  0
142489  1  0  0  0
142490  1  0  0  0
143144  1  0  0  0
143491  1  0  0  0
143492  1  0  0  0
144145  1  0  0  0
144493  1  0  0  0
144494  1  0  0  0
145495  1  0  0  0
145496  1  0  0  0
146148  1  0  0  0
146147  2  0  0  0
148149  1  0  0  0
148497  1  0  0  0
149155  1  0  0  0
149150  1  0  0  0
149498  1  0  0  0
150151  1  0  0  0
150499  1  0  0  0
150500  1  0  0  0
151152  1  0  0  0
151501  1  0  0  0
151502  1  0  0  0
152154  1  0  0  0
152153  2  0  0  0
154503  1  0  0  0
154504  1  0  0  0
155157  1  0  0  0
155156  2  0  0  0
157158  1  0  0  0
157505  1  0  0  0
158164  1  0  0  0
158159  1  0  0  0
158506  1  0  0  0
159160  1  0  0  0
159507  1  0  0  0
159508  1  0  0  0
160161  1  0  0  0
160509  1  0  0  0
160510  1  0  0  0
161163  1  0  0  0
161162  2  0  0  0
163511  1  0  0  0
164166  1  0  0  0
164165  2  0  0  0
166167  1  0  0  0
166512  1  0  0  0
167173  1  0  0  0
167168  1  0  0  0
167513  1  0  0  0
168169  1  0  0  0
168514  1  0  0  0
168515  1  0  0  0
169170  1  0  0  0
169516  1  0  0  0
169517  1  0  0  0
170171  1  0  0  0
170518  1  0  0  0
170519  1  0  0  0
171172  1  0  0  0
171520  1  0  0  0
171521  1  0  0  0
172522  1  0  0  0
172523  1  0  0  0
173175  1  0  0  0
173174  2  0  0  0
175176  1  0  0  0
175524  1  0  0  0
176182  1  0  0  0
176177  1  0  0  0
176525  1  0  0  0
177178  1  0  0  0
177526  1  0  0  0
177527  1  0  0  0
178179  1  0  0  0
178528  1  0  0  0
178529  1  0  0  0
179181  1  0  0  0
179180  2  0  0  0
181530  1  0  0  0
182184  1  0  0  0
182183  2  0  0  0
184185  1  0  0  0
184531  1  0  0  0
185191  1  0  0  0
185186  1  0  0  0
185532  1  0  0  0
186187  1  0  0  0
186533  1  0  0  0
186534  1  0  0  0
187188  1  0  0  0
187535  1  0  0  0
187536  1  0  0  0
188189  1  0  0  0
188537  1  0  0  0
188538  1  0  0  0
189190  1  0  0  0
189539  1  0  0  0
189540  1  0  0  0
190541  1  0  0  0
190542  1  0  0  0
191193  1  0  0  0
191192  2  0  0  0
193194  1  0  0  0
193543  1  0  0  0
194200  1  0  0  0
194195  1  0  0  0
194544  1  0  0  0
195196  1  0  0  0
195545  1  0  0  0
195546  1  0  0  0
196197  1  0  0  0
196547  1  0  0  0
196548  1  0  0  0
197199  1  0  0  0
197198  2  0  0  0
199549  1  0  0  0
199550  1  0  0  0
200202  1  0  0  0
200201  2  0  0  0
202203  1  0  0  0
202551  1  0  0  0
203209  1  0  0  0
203204  1  0  0  0
203552  1  0  0  0
204205  1  0  0  0
204553  1  0  0  0
204554  1  0  0  0
205206  1  0  0  0
205555  1  0  0  0
205556  1  0  0  0
206208  1  0  0  0
206207  2  0  0  0
208557  1  0  0  0
208558  1  0  0  0
209211  1  0  0  0
209210  2  0  0  0
211212  1  0  0  0
211559  1  0  0  0
212214  1  0  0  0
212213  1  0  0  0
212560  1  0  0  0
213561  1  0  0  0
213562  1  0  0  0
213563  1  0  0  0
214216  1  0  0  0
214215  2  0  0  0
216217  1  0  0  0
216564  1  0  0  0
217219  1  0  0  0
217218  1  0  0  0
217565  1  0  0  0
218566  1  0  0  0
218567  1  0  0  0
218568  1  0  0  0
219221  1  0  0  0
219220  2  0  0  0
221222  1  0  0  0
221569  1  0  0  0
222227  1  0  0  0
222223  1  0  0  0
222570  1  0  0  0
223224  1  0  0  0
223571  1  0  0  0
223572  1  0  0  0
224226  1  0  0  0
224225  2  0  0  0
226573  1  0  0  0
226574  1  0  0  0
227229  1  0  0  0
227228  2  0  0  0
229230  1  0  0  0
229575  1  0  0  0
230235  1  0  0  0
230231  1  0  0  0
230576  1  0  0  0
231232  1  0  0  0
231577  1  0  0  0
231578  1  0  0  0
232234  1  0  0  0
232233  2  0  0  0
234579  1  0  0  0
234580  1  0  0  0
235237  1  0  0  0
235236  2  0  0  0
237238  1  0  0  0
237581  1  0  0  0
238246  1  0  0  0
238239  1  0  0  0
238582  1  0  0  0
239240  1  0  0  0
239583  1  0  0  0
239584  1  0  0  0
240241  1  0  0  0
240585  1  0  0  0
240586  1  0  0  0
241242  1  0  0  0
241587  1  0  0  0
241588  1  0  0  0
242243  1  0  0  0
242589  1  0  0  0
243245  1  0  0  0
243244  2  0  0  0
244590  1  0  0  0
245591  1  0  0  0
245592  1  0  0  0
246248  1  0  0  0
246247  2  0  0  0
248249  1  0  0  0
248593  1  0  0  0
249254  1  0  0  0
249250  1  0  0  0
249594  1  0  0  0
250251  1  0  0  0
250595  1  0  0  0
250596  1  0  0  0
251253  1  0  0  0
251252  1  0  0  0
251597  1  0  0  0
252598  1  0  0  0
252599  1  0  0  0
252600  1  0  0  0
253601  1  0  0  0
253602  1  0  0  0
253603  1  0  0  0
254256  1  0  0  0
254255  2  0  0  0
256257  1  0  0  0
256604  1  0  0  0
257262  1  0  0  0
257258  1  0  0  0
257605  1  0  0  0
258259  1  0  0  0
258606  1  0  0  0
258607  1  0  0  0
259261  1  0  0  0
259260  1  0  0  0
259608  1  0  0  0
260609  1  0  0  0
260610  1  0  0  0
260611  1  0  0  0
261612  1  0  0  0
261613  1  0  0  0
261614  1  0  0  0
262264  1  0  0  0
262263  2  0  0  0
264265  1  0  0  0
264615  1  0  0  0
265270  1  0  0  0
265266  1  0  0  0
265616  1  0  0  0
266267  1  0  0  0
266617  1  0  0  0
266618  1  0  0  0
267269  1  0  0  0
267268  1  0  0  0
267619  1  0  0  0
268620  1  0  0  0
268621  1  0  0  0
268622  1  0  0  0
269623  1  0  0  0
269624  1  0  0  0
269625  1  0  0  0
270272  1  0  0  0
270271  2  0  0  0
272273  1  0  0  0
272626  1  0  0  0
273278  1  0  0  0
273274  1  0  0  0
273627  1  0  0  0
274275  1  0  0  0
274628  1  0  0  0
274629  1  0  0  0
275277  1  0  0  0
275276  2  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
281285  1  0  0  0
281282  1  0  0  0
281632  1  0  0  0
282284  1  0  0  0
282283  1  0  0  0
282633  1  0  0  0
283634  1  0  0  0
283635  1  0  0  0
283636  1  0  0  0
284637  1  0  0  0
285287  1  0  0  0
285286  2  0  0  0
287288  1  0  0  0
287638  1  0  0  0
288293  1  0  0  0
288289  1  0  0  0
288639  1  0  0  0
289291  1  0  0  0
289290  1  0  0  0
289640  1  0  0  0
290641  1  0  0  0
290642  1  0  0  0
290643  1  0  0  0
291292  1  0  0  0
291644  1  0  0  0
291645  1  0  0  0
292646  1  0  0  0
292647  1  0  0  0
292648  1  0  0  0
293295  1  0  0  0
293294  2  0  0  0
295649  1  0  0  0
296297  1  0  0  0
296650  1  0  0  0
297299  1  0  0  0
297298  2  0  0  0
299303  1  0  0  0
299300  1  0  0  0
299651  1  0  0  0
300301  1  0  0  0
300652  1  0  0  0
300653  1  0  0  0
301302  1  0  0  0
301654  1  0  0  0
301655  1  0  0  0
302303  1  0  0  0
302656  1  0  0  0
302657  1  0  0  0
303304  1  0  0  0
304306  1  0  0  0
304305  2  0  0  0
306310  1  0  0  0
306307  1  0  0  0
306658  1  0  0  0
307308  1  0  0  0
307659  1  0  0  0
307660  1  0  0  0
308309  1  0  0  0
308661  1  0  0  0
308662  1  0  0  0
309310  1  0  0  0
309663  1  0  0  0
309664  1  0  0  0
310311  1  0  0  0
311313  1  0  0  0
311312  2  0  0  0
313314  1  0  0  0
313665  1  0  0  0
313666  1  0  0  0
314315  1  0  0  0
314667  1  0  0  0
315317  1  0  0  0
315316  2  0  0  0
317322  1  0  0  0
317318  1  0  0  0
317668  1  0  0  0
318319  1  0  0  0
318669  1  0  0  0
318670  1  0  0  0
319320  1  0  0  0
319671  1  0  0  0
319672  1  0  0  0
320322  1  0  0  0
320321  2  0  0  0
322673  1  0  0  0
M  END

>  <Chemical Name>
BDBM50158970

>  <PubChem CID>
91933194

>  <Formula>
C205H351N55O61S

>  <Molecular Weight>
4594.447000

>  <IUPAC Name>


>  <XlogP>
-16.0

>  <Hydrogen Bond Donors>
61

>  <Hydrogen Bond Acceptors>
68

>  <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(C(C)CC)C(=O)NC(C(C)CC)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)C2CCCN2C(=O)C3CCCN3C(=O)CNC(=O)C4CCC(=O)N4

>  <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]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)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]2CCCN2C(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@@H]4CCC(=O)N4

>  <InChI Std. ID>
InChI=1S/C205H351N55O61S/c1-31-105(20)157(250-180(297)128(67-75-154(276)277)238-195(312)158(106(21)32-2)251-181(298)129(76-86-322-30)236-172(289)118(54-41-45-80-209)225-173(290)119(55-46-81-219-204(215)216)229-182(299)130(87-99(8)9)241-186(303)134(91-103(16)17)246-197(314)161(109(24)35-5)255-199(316)162(110(25)36-6)254-192(309)141-57-48-84-259(141)201(318)139(92-104(18)19)248-189(306)137(95-155(278)279)247-196(313)159(107(22)33-3)252-191(308)140(98-261)249-198(315)160(108(23)34-4)253-193(310)142-58-49-85-260(142)202(319)143-59-50-83-258(143)150(269)97-221-167(284)121-63-71-149(268)224-121)194(311)237-127(66-74-153(274)275)179(296)228-116(52-39-43-78-207)170(287)233-124(62-70-146(212)265)176(293)235-126(65-73-152(272)273)178(295)227-117(53-40-44-79-208)171(288)234-125(64-72-151(270)271)177(294)226-115(51-38-42-77-206)169(286)232-123(61-69-145(211)264)175(292)231-122(60-68-144(210)263)168(285)223-112(27)165(282)222-113(28)166(283)239-135(93-147(213)266)188(305)244-136(94-148(214)267)187(304)230-120(56-47-82-220-205(217)218)174(291)240-131(88-100(10)11)183(300)242-132(89-101(12)13)184(301)243-133(90-102(14)15)185(302)245-138(96-156(280)281)190(307)257-164(114(29)262)200(317)256-163(203(320)321)111(26)37-7/h99-143,157-164,261-262H,31-98,206-209H2,1-30H3,(H2,210,263)(H2,211,264)(H2,212,265)(H2,213,266)(H2,214,267)(H,221,284)(H,222,282)(H,223,285)(H,224,268)(H,225,290)(H,226,294)(H,227,295)(H,228,296)(H,229,299)(H,230,304)(H,231,292)(H,232,286)(H,233,287)(H,234,288)(H,235,293)(H,236,289)(H,237,311)(H,238,312)(H,239,283)(H,240,291)(H,241,303)(H,242,300)(H,243,301)(H,244,305)(H,245,302)(H,246,314)(H,247,313)(H,248,306)(H,249,315)(H,250,297)(H,251,298)(H,252,308)(H,253,310)(H,254,309)(H,255,316)(H,256,317)(H,257,307)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,320,321)(H4,215,216,219)(H4,217,218,220)/t105-,106-,107-,108-,109-,110-,111-,112-,113-,114+,115-,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-,157-,158-,159-,160-,161-,162-,163-,164-/m0/s1

>  <InChI Key>
ITEHNJXIICTCNU-RUWZNVMYSA-N

