
 D00JEO

483487  0  0  0  0  0  0  0  0999 V2000
    9.0335    0.8113   -1.6296 C   0  0  0  0  0
    9.4755    2.1480   -2.2317 C   0  0  0  0  0
    9.6105    2.0088   -3.7491 C   0  0  0  0  0
    8.4756    3.2533   -1.8332 C   0  0  0  0  0
    8.8749    4.6613   -2.2932 C   0  0  0  0  0
    7.8231    5.7193   -1.8679 C   0  0  0  0  0
    8.1019    6.6363   -1.0906 O   0  0  0  0  0
    6.5641    5.5710   -2.4181 N   0  0  0  0  0
    5.4478    6.3961   -1.9202 C   0  0  0  0  0
    5.2126    5.9741   -0.4443 C   0  0  0  0  0
    5.5957    4.8878   -0.0045 O   0  0  0  0  0
    4.5197    6.8646    0.3329 N   0  0  0  0  0
    4.3367    6.6547    1.7618 C   0  0  0  0  0
    4.0683    7.9991    2.4544 C   0  0  0  0  0
    5.3153    8.7872    2.8720 C   0  0  0  0  0
    6.3587    9.0567    1.7841 C   0  0  0  0  0
    7.4634    9.9462    2.3531 C   0  0  0  0  0
    8.6072   10.0926    1.4744 N   0  0  0  0  0
    9.7785   10.6088    1.9794 C   0  0  0  0  0
    9.9503   10.8652    3.1685 O   0  0  0  0  0
   10.8919   10.8016    0.9838 C   0  0  0  0  0
   11.3911    9.4435    0.4936 C   0  0  0  0  0
   10.9412    9.2410   -0.9765 C   0  0  0  0  0
    9.9750    9.8238   -1.4654 O   0  0  0  0  0
   11.6344    8.3161   -1.7286 N   0  0  0  0  0
   11.7359    6.9165   -1.2798 C   0  0  0  0  0
   10.8242    6.1191   -2.2382 C   0  0  0  0  0
   10.7180    6.4205   -3.4268 O   0  0  0  0  0
   10.1250    5.0822   -1.6541 N   0  0  0  0  0
   13.1747    6.4015   -1.3472 C   0  0  0  0  0
   13.3621    5.1339   -0.5067 C   0  0  0  0  0
   14.8272    4.6952   -0.4678 C   0  0  0  0  0
   15.0006    3.4426    0.3916 C   0  0  0  0  0
   16.3968    3.0297    0.4449 N   0  0  0  0  0
   12.8597    9.3487    0.5281 N   0  0  0  0  0
   13.7366    9.1855    1.5522 C   0  0  0  0  0
   14.9307    9.0753    1.2548 O   0  0  0  0  0
   13.2673    9.0774    3.0253 C   0  0  0  0  0
   12.7621    7.6484    3.2860 C   0  0  0  0  0
   12.2771    7.3903    4.7268 C   0  0  0  0  0
   11.0489    8.2272    5.0835 C   0  0  0  0  0
   11.9550    5.9038    4.9038 C   0  0  0  0  0
   14.4649    9.3368    3.8481 N   0  0  0  0  0
   14.9727   10.4841    4.3683 C   0  0  0  0  0
   16.2043   10.5170    4.5113 O   0  0  0  0  0
   14.1178   11.6215    4.9827 C   0  0  0  0  0
   12.9556   12.1433    4.1436 C   0  0  0  0  0
   12.5317   13.5579    4.5520 C   0  0  0  0  0
   11.3826   14.0867    3.7373 C   0  0  0  0  0
   10.4460   14.7440    4.1584 O   0  0  0  0  0
   11.5197   13.8790    2.4142 O   0  0  0  0  0
   13.6763   11.2213    6.3241 N   0  0  0  0  0
   14.2031   11.4377    7.5632 C   0  0  0  0  0
   13.6848   10.8460    8.5145 O   0  0  0  0  0
   15.3771   12.4159    7.8293 C   0  0  0  0  0
   16.6530   11.9748    7.1135 C   0  0  0  0  0
   17.9395   12.4601    7.7774 C   0  0  0  0  0
   19.1915   11.7639    7.2687 C   0  0  0  0  0
   20.1975   11.6412    7.9635 O   0  0  0  0  0
   19.2031   11.3501    5.9723 N   0  0  0  0  0
   14.9619   13.7761    7.4720 N   0  0  0  0  0
   14.1604   14.5631    8.2641 C   0  0  0  0  0
   13.1591   15.0554    7.7430 O   0  0  0  0  0
   14.5060   14.8031    9.7449 C   0  0  0  0  0
   13.9400   13.7115   10.6595 C   0  0  0  0  0
   13.6738   14.2344   11.9667 O   0  0  0  0  0
   15.9598   14.9755    9.8417 N   0  0  0  0  0
   16.7295   15.7557   10.6368 C   0  0  0  0  0
   17.9334   15.8052   10.3490 O   0  0  0  0  0
   16.2290   16.4582   11.9132 C   0  0  0  0  0
   15.0546   17.4293   11.7178 C   0  0  0  0  0
   14.9072   18.4671   12.8548 C   0  0  0  0  0
   16.0331   19.5029   12.8608 C   0  0  0  0  0
   13.5591   19.1838   12.7340 C   0  0  0  0  0
   15.9480   15.4682   12.9486 N   0  0  0  0  0
   16.7648   14.7612   13.7740 C   0  0  0  0  0
   16.2183   14.0339   14.6126 O   0  0  0  0  0
   18.3053   14.6792   13.5877 C   0  0  0  0  0
   18.5887   13.4457   12.7126 C   0  0  0  0  0
   20.0793   13.1757   12.4870 C   0  0  0  0  0
   20.2679   11.9588   11.5785 C   0  0  0  0  0
   21.7322   11.7596   11.1968 C   0  0  0  0  0
   21.8523   10.6361   10.2743 N   0  0  0  0  0
   18.9509   15.8701   13.0532 N   0  0  0  0  0
   19.3054   17.0035   13.7230 C   0  0  0  0  0
   19.8188   17.9393   13.1062 O   0  0  0  0  0
   19.0453   17.0784   15.2258 C   0  0  0  0  0
   19.0549   18.4739   15.6367 N   0  0  0  0  0
   18.4158   19.0905   16.6630 C   0  0  0  0  0
   18.5604   20.3086   16.8028 O   0  0  0  0  0
   17.4909   18.3105   17.6148 C   0  0  0  0  0
   16.1983   17.8479   16.9125 C   0  0  0  0  0
   14.9269   18.4794   17.5230 C   0  0  0  0  0
   14.8477   19.9854   17.2556 C   0  0  0  0  0
   13.6757   17.7967   16.9660 C   0  0  0  0  0
   18.2105   17.1909   18.2337 N   0  0  0  0  0
   19.1507   17.1584   19.2167 C   0  0  0  0  0
   19.8388   16.1317   19.2642 O   0  0  0  0  0
   19.3795   18.2802   20.2727 C   0  0  0  0  0
   20.8347   18.8107   20.2074 C   0  0  0  0  0
   21.1367   19.6199   18.9460 C   0  0  0  0  0
   21.1785   19.6350   21.4538 C   0  0  0  0  0
   18.3982   19.3565   20.3212 N   0  0  0  0  0
   17.1768   19.4072   20.9217 C   0  0  0  0  0
   16.3978   20.2875   20.5470 O   0  0  0  0  0
   16.7636   18.4567   22.0653 C   0  0  0  0  0
   16.7147   16.9856   21.6432 C   0  0  0  0  0
   15.6267   16.0046   22.7301 S   0  0  0  0  0
   17.6355   18.7303   23.2198 N   0  0  0  0  0
   17.4038   19.8360   24.0088 C   0  0  0  0  0
   18.2314   20.7457   23.9919 O   0  0  0  0  0
   16.1586   19.8825   24.9205 C   0  0  0  0  0
   15.1530   20.9949   24.5485 C   0  0  0  0  0
   14.2376   20.7161   23.3657 C   0  0  0  0  0
   14.3270   21.2589   25.7000 O   0  0  0  0  0
   15.5435   18.5608   25.1245 N   0  0  0  0  0
   15.8314   17.7707   26.2103 C   0  0  0  0  0
   16.2900   16.6467   26.0040 O   0  0  0  0  0
   15.6059   18.3046   27.6400 C   0  0  0  0  0
   16.9078   18.8005   28.2722 C   0  0  0  0  0
   16.8619   18.6228   29.6883 O   0  0  0  0  0
   14.5533   19.3316   27.6639 N   0  0  0  0  0
   13.2167   19.0195   27.6743 C   0  0  0  0  0
   12.5026   19.4361   26.7599 O   0  0  0  0  0
   12.6370   18.2210   28.8680 C   0  0  0  0  0
   12.5023   16.7393   28.4902 C   0  0  0  0  0
   11.6809   15.8876   29.4766 C   0  0  0  0  0
   10.2167   16.3236   29.5427 C   0  0  0  0  0
   11.7563   14.4149   29.0591 C   0  0  0  0  0
   13.4802   18.4357   30.0494 N   0  0  0  0  0
   13.6916   19.6617   30.6283 C   0  0  0  0  0
   14.8549   19.9594   30.9298 O   0  0  0  0  0
   12.5394   20.6481   30.9076 C   0  0  0  0  0
   11.9424   21.2842   29.6552 C   0  0  0  0  0
   11.5966   22.7340   29.8946 C   0  0  0  0  0
   11.6495   23.2761   30.9906 O   0  0  0  0  0
   11.2058   23.4136   28.7797 N   0  0  0  0  0
   11.5595   19.9317   31.7216 N   0  0  0  0  0
   11.6457   19.7620   33.0753 C   0  0  0  0  0
   11.3204   18.6548   33.5129 O   0  0  0  0  0
   12.1911   20.8530   34.0214 C   0  0  0  0  0
   13.7214   20.8191   34.1220 C   0  0  0  0  0
   14.1469   21.5757   35.2612 O   0  0  0  0  0
   11.7029   22.2091   33.7280 N   0  0  0  0  0
   10.7140   22.9499   34.3010 C   0  0  0  0  0
   10.5844   24.1155   33.9135 O   0  0  0  0  0
    9.8151   22.4213   35.4337 C   0  0  0  0  0
    9.0392   21.1623   35.0288 C   0  0  0  0  0
    7.7546   20.7307   36.2484 S   0  0  0  0  0
   10.5716   22.3167   36.7036 N   0  0  0  0  0
    3.1406    5.7094    2.0056 C   0  0  0  0  0
    2.1283    5.7460    1.2984 O   0  0  0  0  0
    3.1169    4.8852    3.0998 N   0  0  0  0  0
    4.2480    4.2983    3.8524 C   0  0  0  0  0
    5.2058    3.4955    2.9478 C   0  0  0  0  0
    5.7123    2.2381    3.6263 C   0  0  0  0  0
    5.2666    0.9781    3.2007 C   0  0  0  0  0
    5.7091   -0.1812    3.8396 C   0  0  0  0  0
    6.5966   -0.0839    4.9039 C   0  0  0  0  0
    7.0550    1.1544    5.3379 C   0  0  0  0  0
    6.6153    2.3145    4.6965 C   0  0  0  0  0
    6.9897   -1.2395    5.5098 O   0  0  0  0  0
    4.9657    5.3824    4.6917 C   0  0  0  0  0
    6.0675    5.8291    4.3620 O   0  0  0  0  0
    4.2821    5.9192    5.7631 N   0  0  0  0  0
    4.7949    7.0902    6.4552 C   0  0  0  0  0
    3.8648    7.2957    7.6409 C   0  0  0  0  0
    2.6126    6.5133    7.2532 C   0  0  0  0  0
    3.1699    5.3034    6.5120 C   0  0  0  0  0
    3.7676    4.2196    7.4523 C   0  0  0  0  0
    4.9918    4.0851    7.5863 O   0  0  0  0  0
    3.0225    3.3318    8.1522 N   0  0  0  0  0
    1.5951    3.1747    8.4527 C   0  0  0  0  0
    1.0645    4.2762    9.3816 C   0  0  0  0  0
    0.3806    3.6920   10.6230 C   0  0  0  0  0
   -0.1152    4.7987   11.5524 C   0  0  0  0  0
   -0.5349    4.2242   12.8260 N   0  0  0  0  0
    0.3201    4.0598   13.7610 C   0  0  0  0  0
    1.6456    4.3216   13.7999 N   0  0  0  0  0
   -0.0685    3.5198   14.9362 N   0  0  0  0  0
    0.7369    2.9634    7.1929 C   0  0  0  0  0
    0.3330    3.9243    6.5291 O   0  0  0  0  0
    0.4521    1.7172    6.7182 N   0  0  0  0  0
    0.9633    0.3745    7.0849 C   0  0  0  0  0
    2.5032    0.2522    7.0405 C   0  0  0  0  0
    2.9538   -1.2057    6.9938 C   0  0  0  0  0
    2.9864    0.9118    5.8600 O   0  0  0  0  0
    0.3635   -0.0698    8.4293 C   0  0  0  0  0
    0.9879    0.0759    9.4858 O   0  0  0  0  0
   -0.9403   -0.4743    8.5414 N   0  0  0  0  0
   -1.7279   -1.3826    7.6708 C   0  0  0  0  0
   -1.7997   -1.0334    6.1885 C   0  0  0  0  0
   -2.9681   -1.7363    5.5273 C   0  0  0  0  0
   -3.3960   -2.8300    5.8688 O   0  0  0  0  0
   -3.4813   -1.0919    4.4405 N   0  0  0  0  0
   -1.1196   -2.7716    7.9050 C   0  0  0  0  0
   -0.0399   -3.0761    7.3859 O   0  0  0  0  0
   -1.6711   -3.6381    8.7983 N   0  0  0  0  0
   -2.8788   -3.5569    9.6497 C   0  0  0  0  0
   -2.8958   -2.3846   10.6645 C   0  0  0  0  0
   -3.8691   -2.6515   11.8141 C   0  0  0  0  0
   -1.5826   -2.1810   11.2012 O   0  0  0  0  0
   -4.1597   -3.5725    8.7924 C   0  0  0  0  0
   -4.9291   -2.6081    8.7546 O   0  0  0  0  0
   -4.4700   -4.6651    8.0403 N   0  0  0  0  0
   -3.8187   -5.9638    7.9912 C   0  0  0  0  0
   -4.4706   -6.8860    9.0199 C   0  0  0  0  0
   -4.2729   -6.7118   10.2275 O   0  0  0  0  0
   -5.3608   -7.8514    8.6660 N   0  0  0  0  0
   -5.8865   -8.2865    7.3639 C   0  0  0  0  0
   -6.4273   -7.1614    6.4684 C   0  0  0  0  0
   -7.5306   -7.6431    5.6988 O   0  0  0  0  0
   -4.8270   -9.1070    6.6078 C   0  0  0  0  0
   -3.8038   -8.5879    6.1549 O   0  0  0  0  0
   -4.9568  -10.4582    6.4960 N   0  0  0  0  0
   -5.8966  -11.3397    7.1745 C   0  0  0  0  0
   -5.7392  -12.7639    6.6464 C   0  0  0  0  0
   -6.3017  -13.1106    5.6034 O   0  0  0  0  0
   -4.8795  -13.6551    7.2099 N   0  0  0  0  0
   -4.0728  -13.6352    8.4528 C   0  0  0  0  0
   -3.0834  -12.4451    8.5658 C   0  0  0  0  0
   -3.1848  -11.5860    9.8196 C   0  0  0  0  0
   -1.7434  -12.9584    8.4850 O   0  0  0  0  0
   -5.0369  -13.8494    9.6429 C   0  0  0  0  0
   -5.8357  -12.9594    9.9618 O   0  0  0  0  0
   -5.1128  -15.0910   10.2501 N   0  0  0  0  0
   -6.1856  -15.3539   11.1999 C   0  0  0  0  0
   -6.0376  -16.8128   11.6001 C   0  0  0  0  0
   -5.3153  -17.4394   10.4114 C   0  0  0  0  0
   -4.3900  -16.3257    9.9170 C   0  0  0  0  0
   -2.9704  -16.3284   10.5323 C   0  0  0  0  0
   -2.0401  -15.7047   10.0259 O   0  0  0  0  0
   -2.7629  -16.9296   11.7358 N   0  0  0  0  0
    5.7021    7.8995   -2.1354 C   0  0  0  0  0
    4.4488    8.6846   -2.3504 C   0  0  0  0  0
    4.1625    9.6061   -3.3375 C   0  0  0  0  0
    2.9032   10.0401   -3.0681 N   0  0  0  0  0
    2.4645    9.3886   -1.9522 C   0  0  0  0  0
    3.3789    8.5629   -1.4870 N   0  0  0  0  0
    2.2043   10.9989   -3.8220 N   0  0  0  0  0
    8.0510    0.5097   -2.0085 H   0  0  0  0  0
    8.9707    0.8781   -0.5383 H   0  0  0  0  0
    9.7486    0.0189   -1.8741 H   0  0  0  0  0
   10.4629    2.3874   -1.8187 H   0  0  0  0  0
   10.0531    2.9049   -4.1945 H   0  0  0  0  0
    8.6366    1.8382   -4.2206 H   0  0  0  0  0
   10.2615    1.1659   -4.0061 H   0  0  0  0  0
    8.3622    3.2548   -0.7403 H   0  0  0  0  0
    7.4890    2.9934   -2.2355 H   0  0  0  0  0
    8.9705    4.7170   -3.3825 H   0  0  0  0  0
    6.3126    4.6613   -2.7801 H   0  0  0  0  0
    4.5685    6.0698   -2.4900 H   0  0  0  0  0
    3.8773    7.5014   -0.1456 H   0  0  0  0  0
    5.2503    6.1955    2.1349 H   0  0  0  0  0
    3.4741    7.8353    3.3628 H   0  0  0  0  0
    3.4498    8.6369    1.8087 H   0  0  0  0  0
    4.9775    9.7450    3.2888 H   0  0  0  0  0
    5.8076    8.2591    3.6945 H   0  0  0  0  0
    6.7952    8.1139    1.4356 H   0  0  0  0  0
    5.8953    9.5454    0.9197 H   0  0  0  0  0
    7.8197    9.5379    3.3070 H   0  0  0  0  0
    7.0757   10.9519    2.5538 H   0  0  0  0  0
    8.4543   10.0967    0.4674 H   0  0  0  0  0
   11.6918   11.3504    1.4905 H   0  0  0  0  0
   10.5359   11.4646    0.1882 H   0  0  0  0  0
   10.9856    8.6234    1.0907 H   0  0  0  0  0
   11.3075    8.3539   -2.6956 H   0  0  0  0  0
   11.3368    6.8427   -0.2628 H   0  0  0  0  0
   10.0661    5.1117   -0.6426 H   0  0  0  0  0
   13.8610    7.1720   -0.9777 H   0  0  0  0  0
   13.4634    6.2014   -2.3868 H   0  0  0  0  0
   12.7508    4.3212   -0.9153 H   0  0  0  0  0
   13.0138    5.3190    0.5171 H   0  0  0  0  0
   15.4415    5.5097   -0.0638 H   0  0  0  0  0
   15.1782    4.4997   -1.4887 H   0  0  0  0  0
   14.4010    2.6197   -0.0123 H   0  0  0  0  0
   14.6481    3.6316    1.4116 H   0  0  0  0  0
   16.7403    2.8531   -0.4988 H   0  0  0  0  0
   16.9682    3.7911    0.8104 H   0  0  0  0  0
   13.3263    9.3885   -0.3750 H   0  0  0  0  0
   12.4999    9.8171    3.2107 H   0  0  0  0  0
   13.5729    6.9419    3.0572 H   0  0  0  0  0
   11.9546    7.3996    2.5890 H   0  0  0  0  0
   13.0805    7.6403    5.4304 H   0  0  0  0  0
   11.2839    9.2945    5.0901 H   0  0  0  0  0
   10.6818    7.9718    6.0834 H   0  0  0  0  0
   10.2334    8.0602    4.3717 H   0  0  0  0  0
   11.1497    5.5881    4.2317 H   0  0  0  0  0
   11.6410    5.6932    5.9318 H   0  0  0  0  0
   12.8351    5.2871    4.6926 H   0  0  0  0  0
   15.2496    8.7635    3.5437 H   0  0  0  0  0
   14.8182   12.4534    5.0780 H   0  0  0  0  0
   12.0845   11.4965    4.2638 H   0  0  0  0  0
   13.2410   12.1360    3.0861 H   0  0  0  0  0
   13.3648   14.2619    4.4518 H   0  0  0  0  0
   12.2132   13.5535    5.6001 H   0  0  0  0  0
   10.7292   14.3273    2.0431 H   0  0  0  0  0
   12.9518   10.5105    6.3552 H   0  0  0  0  0
   15.5571   12.3756    8.9059 H   0  0  0  0  0
   16.6568   12.3558    6.0891 H   0  0  0  0  0
   16.6764   10.8788    7.0676 H   0  0  0  0  0
   17.8869   12.2701    8.8561 H   0  0  0  0  0
   18.0660   13.5376    7.6287 H   0  0  0  0  0
   18.3631   11.1947    5.4234 H   0  0  0  0  0
   20.0287   10.8492    5.6688 H   0  0  0  0  0
   14.6049   13.8477    6.5285 H   0  0  0  0  0
   14.0508   15.7638    9.9870 H   0  0  0  0  0
   14.6375   12.8783   10.7812 H   0  0  0  0  0
   12.9945   13.3247   10.2652 H   0  0  0  0  0
   13.2987   13.4951   12.4839 H   0  0  0  0  0
   16.4943   14.6287    9.0535 H   0  0  0  0  0
   17.0685   17.0615   12.2511 H   0  0  0  0  0
   14.1160   16.8685   11.6791 H   0  0  0  0  0
   15.1582   17.9511   10.7582 H   0  0  0  0  0
   14.9167   17.9413   13.8161 H   0  0  0  0  0
   16.1072   20.0134   11.8948 H   0  0  0  0  0
   17.0018   19.0470   13.0801 H   0  0  0  0  0
   15.8566   20.2621   13.6306 H   0  0  0  0  0
   13.4815   19.7276   11.7865 H   0  0  0  0  0
   13.4249   19.9013   13.5506 H   0  0  0  0  0
   12.7316   18.4680   12.7843 H   0  0  0  0  0
   14.9707   15.1893   13.0334 H   0  0  0  0  0
   18.7264   14.5099   14.5875 H   0  0  0  0  0
   18.0950   13.5565   11.7406 H   0  0  0  0  0
   18.1337   12.5617   13.1785 H   0  0  0  0  0
   20.5534   14.0466   12.0206 H   0  0  0  0  0
   20.5792   13.0063   13.4479 H   0  0  0  0  0
   19.6684   12.0946   10.6702 H   0  0  0  0  0
   19.8860   11.0621   12.0827 H   0  0  0  0  0
   22.3344   11.5630   12.0901 H   0  0  0  0  0
   22.1262   12.6629   10.7183 H   0  0  0  0  0
   21.2918   10.8496    9.4350 H   0  0  0  0  0
   22.8113   10.5850    9.9347 H   0  0  0  0  0
   19.0785   15.9265   12.0394 H   0  0  0  0  0
   19.8490   16.5592   15.7566 H   0  0  0  0  0
   18.0818   16.6306   15.4666 H   0  0  0  0  0
   19.6178   19.0953   15.0599 H   0  0  0  0  0
   17.2150   19.0043   18.3952 H   0  0  0  0  0
   16.1089   16.7560   16.9789 H   0  0  0  0  0
   16.2273   18.0953   15.8444 H   0  0  0  0  0
   14.9385   18.3180   18.6083 H   0  0  0  0  0
   14.8400   20.1971   16.1812 H   0  0  0  0  0
   13.9335   20.4062   17.6884 H   0  0  0  0  0
   15.6921   20.5212   17.6980 H   0  0  0  0  0
   13.5932   17.9362   15.8833 H   0  0  0  0  0
   12.7721   18.2074   17.4287 H   0  0  0  0  0
   13.6945   16.7212   17.1702 H   0  0  0  0  0
   18.2561   16.3379   17.6901 H   0  0  0  0  0
   19.3006   17.7500   21.2253 H   0  0  0  0  0
   21.5118   17.9460   20.2009 H   0  0  0  0  0
   20.5304   20.5285   18.8879 H   0  0  0  0  0
   20.9609   19.0239   18.0463 H   0  0  0  0  0
   22.1885   19.9262   18.9316 H   0  0  0  0  0
   20.5728   20.5453   21.5178 H   0  0  0  0  0
   22.2319   19.9343   21.4408 H   0  0  0  0  0
   21.0124   19.0505   22.3649 H   0  0  0  0  0
   18.5030   20.0943   19.6272 H   0  0  0  0  0
   15.7479   18.7658   22.3241 H   0  0  0  0  0
   17.6939   16.5052   21.6774 H   0  0  0  0  0
   16.3212   16.8946   20.6259 H   0  0  0  0  0
   16.4439   15.9581   23.8011 H   0  0  0  0  0
   18.6026   18.8011   22.9206 H   0  0  0  0  0
   16.5893   20.1633   25.8884 H   0  0  0  0  0
   15.7010   21.9231   24.3515 H   0  0  0  0  0
   13.7196   19.7575   23.4722 H   0  0  0  0  0
   14.7872   20.7244   22.4254 H   0  0  0  0  0
   13.4579   21.4832   23.3000 H   0  0  0  0  0
   13.4868   20.7569   25.5940 H   0  0  0  0  0
   15.6065   17.9763   24.2997 H   0  0  0  0  0
   15.2485   17.4430   28.2072 H   0  0  0  0  0
   17.1011   19.8589   28.0664 H   0  0  0  0  0
   17.7646   18.2250   27.9085 H   0  0  0  0  0
   16.2905   19.3258   30.0721 H   0  0  0  0  0
   14.7164   20.0614   26.9745 H   0  0  0  0  0
   11.6548   18.6495   29.0726 H   0  0  0  0  0
   13.4968   16.2888   28.3965 H   0  0  0  0  0
   12.0482   16.6646   27.4926 H   0  0  0  0  0
   12.1166   15.9761   30.4791 H   0  0  0  0  0
    9.7597   16.3324   28.5471 H   0  0  0  0  0
   10.1154   17.3238   29.9731 H   0  0  0  0  0
    9.6362   15.6407   30.1729 H   0  0  0  0  0
   11.3324   14.2630   28.0602 H   0  0  0  0  0
   11.2040   13.7807   29.7608 H   0  0  0  0  0
   12.7942   14.0666   29.0422 H   0  0  0  0  0
   14.3539   17.9189   30.0418 H   0  0  0  0  0
   13.0006   21.4218   31.5204 H   0  0  0  0  0
   11.0333   20.7697   29.3263 H   0  0  0  0  0
   12.6729   21.2833   28.8422 H   0  0  0  0  0
   11.3337   23.0543   27.8422 H   0  0  0  0  0
   11.0069   24.4010   28.8826 H   0  0  0  0  0
   11.1999   19.0770   31.3093 H   0  0  0  0  0
   11.8137   20.5870   35.0105 H   0  0  0  0  0
   14.2183   21.2461   33.2485 H   0  0  0  0  0
   14.0840   19.7942   34.2477 H   0  0  0  0  0
   13.9159   22.5062   35.0813 H   0  0  0  0  0
   12.0676   22.6975   32.9086 H   0  0  0  0  0
    9.0695   23.2149   35.5908 H   0  0  0  0  0
    9.6873   20.2893   34.9483 H   0  0  0  0  0
    8.5599   21.3027   34.0539 H   0  0  0  0  0
    8.5685   20.8178   37.3141 H   0  0  0  0  0
   11.4159   21.7614   36.5817 H   0  0  0  0  0
   10.8981   23.2534   36.9516 H   0  0  0  0  0
    2.2639    4.3386    3.1132 H   0  0  0  0  0
    3.7758    3.5988    4.5519 H   0  0  0  0  0
    6.0725    4.0836    2.6264 H   0  0  0  0  0
    4.6860    3.2026    2.0265 H   0  0  0  0  0
    4.5677    0.8896    2.3718 H   0  0  0  0  0
    5.3590   -1.1552    3.5089 H   0  0  0  0  0
    7.7470    1.2428    6.1692 H   0  0  0  0  0
    6.9822    3.2800    5.0429 H   0  0  0  0  0
    7.6659   -1.0250    6.1739 H   0  0  0  0  0
    4.7540    7.9399    5.7674 H   0  0  0  0  0
    5.8337    6.9342    6.7628 H   0  0  0  0  0
    4.3099    6.8692    8.5476 H   0  0  0  0  0
    3.6610    8.3530    7.8335 H   0  0  0  0  0
    2.0012    6.2918    8.1210 H   0  0  0  0  0
    2.0078    7.1194    6.5663 H   0  0  0  0  0
    2.4581    4.8503    5.8246 H   0  0  0  0  0
    3.6333    2.7464    8.7107 H   0  0  0  0  0
    1.5691    2.2481    9.0194 H   0  0  0  0  0
    0.3531    4.9283    8.8630 H   0  0  0  0  0
    1.8940    4.8994    9.7371 H   0  0  0  0  0
   -0.4610    3.0534   10.3277 H   0  0  0  0  0
    1.0928    3.0496   11.1556 H   0  0  0  0  0
   -0.9808    5.2936   11.0967 H   0  0  0  0  0
    0.6373    5.5843   11.6839 H   0  0  0  0  0
    1.9867    4.9249   13.0650 H   0  0  0  0  0
    1.9468    4.6504   14.7100 H   0  0  0  0  0
   -1.0203    3.1746   14.8548 H   0  0  0  0  0
    0.5539    2.7825   15.2441 H   0  0  0  0  0
    0.0054    1.7725    5.8126 H   0  0  0  0  0
    0.5938   -0.2747    6.2960 H   0  0  0  0  0
    2.9698    0.7287    7.9048 H   0  0  0  0  0
    2.6250   -1.7580    7.8787 H   0  0  0  0  0
    4.0462   -1.2655    6.9379 H   0  0  0  0  0
    2.5676   -1.7075    6.1000 H   0  0  0  0  0
    3.9552    0.7929    5.8312 H   0  0  0  0  0
   -1.0960   -0.6796    9.5269 H   0  0  0  0  0
   -2.7403   -1.3425    8.0726 H   0  0  0  0  0
   -0.9179   -1.3667    5.6322 H   0  0  0  0  0
   -1.9153    0.0468    6.0596 H   0  0  0  0  0
   -3.1790   -0.1787    4.1344 H   0  0  0  0  0
   -4.2532   -1.5298    3.9668 H   0  0  0  0  0
   -1.0744   -4.4399    8.9586 H   0  0  0  0  0
   -2.8578   -4.4876   10.2287 H   0  0  0  0  0
   -3.1865   -1.4443   10.1872 H   0  0  0  0  0
   -4.8966   -2.7633   11.4569 H   0  0  0  0  0
   -3.5889   -3.5552   12.3645 H   0  0  0  0  0
   -3.8476   -1.8255   12.5342 H   0  0  0  0  0
   -1.6574   -1.6043   11.9828 H   0  0  0  0  0
   -5.2935   -4.5214    7.4717 H   0  0  0  0  0
   -2.7571   -5.8893    8.2328 H   0  0  0  0  0
   -3.8993   -6.3339    6.9742 H   0  0  0  0  0
   -5.7104   -8.3510    9.4761 H   0  0  0  0  0
   -6.7279   -8.9375    7.6176 H   0  0  0  0  0
   -5.6779   -6.7812    5.7683 H   0  0  0  0  0
   -6.8017   -6.3295    7.0721 H   0  0  0  0  0
   -7.7740   -6.9374    5.0726 H   0  0  0  0  0
   -4.2172  -10.8899    5.9515 H   0  0  0  0  0
   -6.9178  -11.0070    6.9641 H   0  0  0  0  0
   -5.7358  -11.2657    8.2474 H   0  0  0  0  0
   -4.8835  -14.5344    6.7067 H   0  0  0  0  0
   -3.4611  -14.5308    8.3384 H   0  0  0  0  0
   -3.1691  -11.8003    7.6906 H   0  0  0  0  0
   -3.0412  -12.1851   10.7242 H   0  0  0  0  0
   -4.1409  -11.0617    9.8813 H   0  0  0  0  0
   -2.3946  -10.8253    9.8239 H   0  0  0  0  0
   -1.1205  -12.2252    8.6268 H   0  0  0  0  0
   -7.1429  -15.1782   10.6964 H   0  0  0  0  0
   -6.1073  -14.6747   12.0551 H   0  0  0  0  0
   -5.4355  -16.8924   12.5102 H   0  0  0  0  0
   -7.0018  -17.2876   11.8024 H   0  0  0  0  0
   -4.8031  -18.3712   10.6674 H   0  0  0  0  0
   -6.0530  -17.6714    9.6321 H   0  0  0  0  0
   -4.2706  -16.4187    8.8321 H   0  0  0  0  0
   -3.4258  -17.5187   12.2147 H   0  0  0  0  0
   -1.8213  -16.8834   12.1068 H   0  0  0  0  0
    6.3425    8.0404   -3.0163 H   0  0  0  0  0
    6.2380    8.3381   -1.2861 H   0  0  0  0  0
    4.7352    9.9787   -4.1746 H   0  0  0  0  0
    1.4846    9.5521   -1.5252 H   0  0  0  0  0
    1.9926   11.8287   -3.2723 H   0  0  0  0  0
    1.3161   10.6383   -4.1633 H   0  0  0  0  0
  1  2  1  0  0  0
  1241  1  0  0  0
  1242  1  0  0  0
  1243  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2244  1  0  0  0
  3245  1  0  0  0
  3246  1  0  0  0
  3247  1  0  0  0
  4  5  1  0  0  0
  4248  1  0  0  0
  4249  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5250  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8251  1  0  0  0
  9234  1  0  0  0
  9 10  1  0  0  0
  9252  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12253  1  0  0  0
 13151  1  0  0  0
 13 14  1  0  0  0
 13254  1  0  0  0
 14 15  1  0  0  0
 14255  1  0  0  0
 14256  1  0  0  0
 15 16  1  0  0  0
 15257  1  0  0  0
 15258  1  0  0  0
 16 17  1  0  0  0
 16259  1  0  0  0
 16260  1  0  0  0
 17 18  1  0  0  0
 17261  1  0  0  0
 17262  1  0  0  0
 18 19  1  0  0  0
 18263  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21264  1  0  0  0
 21265  1  0  0  0
 22 35  1  0  0  0
 22 23  1  0  0  0
 22266  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 26  1  0  0  0
 25267  1  0  0  0
 26 30  1  0  0  0
 26 27  1  0  0  0
 26268  1  0  0  0
 27 28  2  0  0  0
 27 29  1  0  0  0
 29269  1  0  0  0
 30 31  1  0  0  0
 30270  1  0  0  0
 30271  1  0  0  0
 31 32  1  0  0  0
 31272  1  0  0  0
 31273  1  0  0  0
 32 33  1  0  0  0
 32274  1  0  0  0
 32275  1  0  0  0
 33 34  1  0  0  0
 33276  1  0  0  0
 33277  1  0  0  0
 34278  1  0  0  0
 34279  1  0  0  0
 35 36  1  0  0  0
 35280  1  0  0  0
 36 38  1  0  0  0
 36 37  2  0  0  0
 38 43  1  0  0  0
 38 39  1  0  0  0
 38281  1  0  0  0
 39 40  1  0  0  0
 39282  1  0  0  0
 39283  1  0  0  0
 40 42  1  0  0  0
 40 41  1  0  0  0
 40284  1  0  0  0
 41285  1  0  0  0
 41286  1  0  0  0
 41287  1  0  0  0
 42288  1  0  0  0
 42289  1  0  0  0
 42290  1  0  0  0
 43 44  1  0  0  0
 43291  1  0  0  0
 44 46  1  0  0  0
 44 45  2  0  0  0
 46 52  1  0  0  0
 46 47  1  0  0  0
 46292  1  0  0  0
 47 48  1  0  0  0
 47293  1  0  0  0
 47294  1  0  0  0
 48 49  1  0  0  0
 48295  1  0  0  0
 48296  1  0  0  0
 49 51  1  0  0  0
 49 50  2  0  0  0
 51297  1  0  0  0
 52 53  1  0  0  0
 52298  1  0  0  0
 53 55  1  0  0  0
 53 54  2  0  0  0
 55 61  1  0  0  0
 55 56  1  0  0  0
 55299  1  0  0  0
 56 57  1  0  0  0
 56300  1  0  0  0
 56301  1  0  0  0
 57 58  1  0  0  0
 57302  1  0  0  0
 57303  1  0  0  0
 58 60  1  0  0  0
 58 59  2  0  0  0
 60304  1  0  0  0
 60305  1  0  0  0
 61 62  1  0  0  0
 61306  1  0  0  0
 62 64  1  0  0  0
 62 63  2  0  0  0
 64 67  1  0  0  0
 64 65  1  0  0  0
 64307  1  0  0  0
 65 66  1  0  0  0
 65308  1  0  0  0
 65309  1  0  0  0
 66310  1  0  0  0
 67 68  1  0  0  0
 67311  1  0  0  0
 68 70  1  0  0  0
 68 69  2  0  0  0
 70 75  1  0  0  0
 70 71  1  0  0  0
 70312  1  0  0  0
 71 72  1  0  0  0
 71313  1  0  0  0
 71314  1  0  0  0
 72 74  1  0  0  0
 72 73  1  0  0  0
 72315  1  0  0  0
 73316  1  0  0  0
 73317  1  0  0  0
 73318  1  0  0  0
 74319  1  0  0  0
 74320  1  0  0  0
 74321  1  0  0  0
 75 76  1  0  0  0
 75322  1  0  0  0
 76 78  1  0  0  0
 76 77  2  0  0  0
 78 84  1  0  0  0
 78 79  1  0  0  0
 78323  1  0  0  0
 79 80  1  0  0  0
 79324  1  0  0  0
 79325  1  0  0  0
 80 81  1  0  0  0
 80326  1  0  0  0
 80327  1  0  0  0
 81 82  1  0  0  0
 81328  1  0  0  0
 81329  1  0  0  0
 82 83  1  0  0  0
 82330  1  0  0  0
 82331  1  0  0  0
 83332  1  0  0  0
 83333  1  0  0  0
 84 85  1  0  0  0
 84334  1  0  0  0
 85 87  1  0  0  0
 85 86  2  0  0  0
 87 88  1  0  0  0
 87335  1  0  0  0
 87336  1  0  0  0
 88 89  1  0  0  0
 88337  1  0  0  0
 89 91  1  0  0  0
 89 90  2  0  0  0
 91 96  1  0  0  0
 91 92  1  0  0  0
 91338  1  0  0  0
 92 93  1  0  0  0
 92339  1  0  0  0
 92340  1  0  0  0
 93 95  1  0  0  0
 93 94  1  0  0  0
 93341  1  0  0  0
 94342  1  0  0  0
 94343  1  0  0  0
 94344  1  0  0  0
 95345  1  0  0  0
 95346  1  0  0  0
 95347  1  0  0  0
 96 97  1  0  0  0
 96348  1  0  0  0
 97 99  1  0  0  0
 97 98  2  0  0  0
 99103  1  0  0  0
 99100  1  0  0  0
 99349  1  0  0  0
100102  1  0  0  0
100101  1  0  0  0
100350  1  0  0  0
101351  1  0  0  0
101352  1  0  0  0
101353  1  0  0  0
102354  1  0  0  0
102355  1  0  0  0
102356  1  0  0  0
103104  1  0  0  0
103357  1  0  0  0
104106  1  0  0  0
104105  2  0  0  0
106109  1  0  0  0
106107  1  0  0  0
106358  1  0  0  0
107108  1  0  0  0
107359  1  0  0  0
107360  1  0  0  0
108361  1  0  0  0
109110  1  0  0  0
109362  1  0  0  0
110112  1  0  0  0
110111  2  0  0  0
112116  1  0  0  0
112113  1  0  0  0
112363  1  0  0  0
113115  1  0  0  0
113114  1  0  0  0
113364  1  0  0  0
114365  1  0  0  0
114366  1  0  0  0
114367  1  0  0  0
115368  1  0  0  0
116117  1  0  0  0
116369  1  0  0  0
117119  1  0  0  0
117118  2  0  0  0
119122  1  0  0  0
119120  1  0  0  0
119370  1  0  0  0
120121  1  0  0  0
120371  1  0  0  0
120372  1  0  0  0
121373  1  0  0  0
122123  1  0  0  0
122374  1  0  0  0
123125  1  0  0  0
123124  2  0  0  0
125130  1  0  0  0
125126  1  0  0  0
125375  1  0  0  0
126127  1  0  0  0
126376  1  0  0  0
126377  1  0  0  0
127129  1  0  0  0
127128  1  0  0  0
127378  1  0  0  0
128379  1  0  0  0
128380  1  0  0  0
128381  1  0  0  0
129382  1  0  0  0
129383  1  0  0  0
129384  1  0  0  0
130131  1  0  0  0
130385  1  0  0  0
131133  1  0  0  0
131132  2  0  0  0
133138  1  0  0  0
133134  1  0  0  0
133386  1  0  0  0
134135  1  0  0  0
134387  1  0  0  0
134388  1  0  0  0
135137  1  0  0  0
135136  2  0  0  0
137389  1  0  0  0
137390  1  0  0  0
138139  1  0  0  0
138391  1  0  0  0
139141  1  0  0  0
139140  2  0  0  0
141144  1  0  0  0
141142  1  0  0  0
141392  1  0  0  0
142143  1  0  0  0
142393  1  0  0  0
142394  1  0  0  0
143395  1  0  0  0
144145  1  0  0  0
144396  1  0  0  0
145147  1  0  0  0
145146  2  0  0  0
147150  1  0  0  0
147148  1  0  0  0
147397  1  0  0  0
148149  1  0  0  0
148398  1  0  0  0
148399  1  0  0  0
149400  1  0  0  0
150401  1  0  0  0
150402  1  0  0  0
151153  1  0  0  0
151152  2  0  0  0
153154  1  0  0  0
153403  1  0  0  0
154163  1  0  0  0
154155  1  0  0  0
154404  1  0  0  0
155156  1  0  0  0
155405  1  0  0  0
155406  1  0  0  0
156157  2  0  0  0
156161  1  0  0  0
157158  1  0  0  0
157407  1  0  0  0
158159  2  0  0  0
158408  1  0  0  0
159160  1  0  0  0
159162  1  0  0  0
160161  2  0  0  0
160409  1  0  0  0
161410  1  0  0  0
162411  1  0  0  0
163165  1  0  0  0
163164  2  0  0  0
165169  1  0  0  0
165166  1  0  0  0
166167  1  0  0  0
166412  1  0  0  0
166413  1  0  0  0
167168  1  0  0  0
167414  1  0  0  0
167415  1  0  0  0
168169  1  0  0  0
168416  1  0  0  0
168417  1  0  0  0
169170  1  0  0  0
169418  1  0  0  0
170172  1  0  0  0
170171  2  0  0  0
172173  1  0  0  0
172419  1  0  0  0
173181  1  0  0  0
173174  1  0  0  0
173420  1  0  0  0
174175  1  0  0  0
174421  1  0  0  0
174422  1  0  0  0
175176  1  0  0  0
175423  1  0  0  0
175424  1  0  0  0
176177  1  0  0  0
176425  1  0  0  0
176426  1  0  0  0
177178  2  0  0  0
178180  1  0  0  0
178179  1  0  0  0
179427  1  0  0  0
179428  1  0  0  0
180429  1  0  0  0
180430  1  0  0  0
181183  1  0  0  0
181182  2  0  0  0
183184  1  0  0  0
183431  1  0  0  0
184188  1  0  0  0
184185  1  0  0  0
184432  1  0  0  0
185187  1  0  0  0
185186  1  0  0  0
185433  1  0  0  0
186434  1  0  0  0
186435  1  0  0  0
186436  1  0  0  0
187437  1  0  0  0
188190  1  0  0  0
188189  2  0  0  0
190191  1  0  0  0
190438  1  0  0  0
191196  1  0  0  0
191192  1  0  0  0
191439  1  0  0  0
192193  1  0  0  0
192440  1  0  0  0
192441  1  0  0  0
193195  1  0  0  0
193194  2  0  0  0
195442  1  0  0  0
195443  1  0  0  0
196198  1  0  0  0
196197  2  0  0  0
198199  1  0  0  0
198444  1  0  0  0
199203  1  0  0  0
199200  1  0  0  0
199445  1  0  0  0
200202  1  0  0  0
200201  1  0  0  0
200446  1  0  0  0
201447  1  0  0  0
201448  1  0  0  0
201449  1  0  0  0
202450  1  0  0  0
203205  1  0  0  0
203204  2  0  0  0
205206  1  0  0  0
205451  1  0  0  0
206207  1  0  0  0
206452  1  0  0  0
206453  1  0  0  0
207209  1  0  0  0
207208  2  0  0  0
209210  1  0  0  0
209454  1  0  0  0
210213  1  0  0  0
210211  1  0  0  0
210455  1  0  0  0
211212  1  0  0  0
211456  1  0  0  0
211457  1  0  0  0
212458  1  0  0  0
213215  1  0  0  0
213214  2  0  0  0
215216  1  0  0  0
215459  1  0  0  0
216217  1  0  0  0
216460  1  0  0  0
216461  1  0  0  0
217219  1  0  0  0
217218  2  0  0  0
219220  1  0  0  0
219462  1  0  0  0
220224  1  0  0  0
220221  1  0  0  0
220463  1  0  0  0
221223  1  0  0  0
221222  1  0  0  0
221464  1  0  0  0
222465  1  0  0  0
222466  1  0  0  0
222467  1  0  0  0
223468  1  0  0  0
224226  1  0  0  0
224225  2  0  0  0
226230  1  0  0  0
226227  1  0  0  0
227228  1  0  0  0
227469  1  0  0  0
227470  1  0  0  0
228229  1  0  0  0
228471  1  0  0  0
228472  1  0  0  0
229230  1  0  0  0
229473  1  0  0  0
229474  1  0  0  0
230231  1  0  0  0
230475  1  0  0  0
231233  1  0  0  0
231232  2  0  0  0
233476  1  0  0  0
233477  1  0  0  0
234235  1  0  0  0
234478  1  0  0  0
234479  1  0  0  0
235236  2  0  0  0
235239  1  0  0  0
236237  1  0  0  0
236480  1  0  0  0
237238  1  0  0  0
237240  1  0  0  0
238239  2  0  0  0
238481  1  0  0  0
240482  1  0  0  0
240483  1  0  0  0
M  END

>  <Chemical Name>
D00JEO

>  <PubChem CID>
44269079

>  <Formula>
C146H243N45O47S2

>  <Molecular Weight>
3444.938000

>  <IUPAC Name>


>  <XlogP>
-17.7

>  <Hydrogen Bond Donors>
52

>  <Hydrogen Bond Acceptors>
55

>  <Canonical SMILES>
CC(C)CC1C(=O)NC(C(=O)NC(CCCCNC(=O)CC(C(=O)NC(C(=O)N1)CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CS)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(C(C)O)C(=O)N4CCCC4C(=O)N)CC5=CN(C=N5)N

>  <Isomeric SMILES>
C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]2CCCN2C(=O)C(CC3=CC=C(C=C3)O)NC(=O)[C@@H]4CCCCNC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CC5=CN(C=N5)N)CC(C)C)CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)N)O

>  <InChI Std. ID>
InChI=1S/C146H243N45O47S2/c1-67(2)46-87(177-141(234)112(72(11)12)185-138(231)101(65-240)183-143(236)115(75(15)198)188-137(230)100(63-195)182-130(223)91(50-71(9)10)173-132(225)93(53-105(151)202)175-136(229)98(61-193)180-118(211)80(149)64-239)119(212)159-56-108(205)163-81(26-17-20-40-147)121(214)170-90(49-70(7)8)129(222)181-99(62-194)135(228)168-85(36-38-104(150)201)124(217)167-86(37-39-111(208)209)125(218)172-89(48-69(5)6)128(221)176-95-55-107(204)157-42-22-19-28-83(165-131(224)92(52-78-59-189(156)66-162-78)174-127(220)88(47-68(3)4)171-122(215)82(166-133(95)226)27-18-21-41-148)123(216)179-96(51-77-32-34-79(200)35-33-77)144(237)191-45-25-31-103(191)139(232)169-84(29-23-43-158-146(154)155)126(219)187-114(74(14)197)142(235)178-94(54-106(152)203)134(227)186-113(73(13)196)140(233)161-57-109(206)164-97(60-192)120(213)160-58-110(207)184-116(76(16)199)145(238)190-44-24-30-102(190)117(153)210/h32-35,59,66-76,80-103,112-116,192-200,239-240H,17-31,36-58,60-65,147-149,156H2,1-16H3,(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,210)(H,157,204)(H,159,212)(H,160,213)(H,161,233)(H,163,205)(H,164,206)(H,165,224)(H,166,226)(H,167,217)(H,168,228)(H,169,232)(H,170,214)(H,171,215)(H,172,218)(H,173,225)(H,174,220)(H,175,229)(H,176,221)(H,177,234)(H,178,235)(H,179,216)(H,180,211)(H,181,222)(H,182,223)(H,183,236)(H,184,207)(H,185,231)(H,186,227)(H,187,219)(H,188,230)(H,208,209)(H4,154,155,158)/t73-,74-,75-,76-,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96?,97+,98+,99+,100+,101+,102-,103-,112+,113+,114+,115+,116+/m1/s1

>  <InChI Key>
UFHYBLIOZZHAQY-HJMCUHAQSA-N

