
 BDBM50163757

464469  0  0  0  0  0  0  0  0999 V2000
   18.2793   18.9171   22.6731 C   0  0  0  0  0
   17.8472   18.5712   21.2451 C   0  0  0  0  0
   19.0218   17.9491   20.4890 C   0  0  0  0  0
   16.6113   17.6448   21.2855 C   0  0  0  0  0
   15.9992   17.3373   19.9161 C   0  0  0  0  0
   14.8096   16.3523   19.8370 C   0  0  0  0  0
   14.1070   16.2951   18.8205 O   0  0  0  0  0
   14.7006   15.3293   20.7514 N   0  0  0  0  0
   13.6485   15.4175   21.8032 C   0  0  0  0  0
   14.0042   16.3821   22.9346 C   0  0  0  0  0
   13.1244   16.1699   24.1673 C   0  0  0  0  0
   13.4844   17.1530   25.2552 C   0  0  0  0  0
   14.0775   16.8399   26.2808 O   0  0  0  0  0
   13.1090   18.4408   25.0165 N   0  0  0  0  0
   12.2801   15.7650   21.1501 C   0  0  0  0  0
   11.8063   16.9020   21.2349 O   0  0  0  0  0
   11.6883   14.8094   20.3516 N   0  0  0  0  0
   10.6800   15.1816   19.3901 C   0  0  0  0  0
   10.9174   14.1924   18.2684 C   0  0  0  0  0
   11.4840   12.9420   18.9542 C   0  0  0  0  0
   11.8451   13.3459   20.3803 C   0  0  0  0  0
   11.0677   12.8705   21.6440 C   0  0  0  0  0
   11.3728   13.3805   22.7382 O   0  0  0  0  0
   10.0984   11.9414   21.7502 N   0  0  0  0  0
    9.2779   11.1293   20.8435 C   0  0  0  0  0
    8.3443   11.9781   19.9735 C   0  0  0  0  0
    7.3955   11.1688   19.0902 C   0  0  0  0  0
    6.4759   12.0823   18.2797 C   0  0  0  0  0
    5.6292   11.2663   17.4189 N   0  0  0  0  0
    4.4579   10.9325   17.8027 C   0  0  0  0  0
    3.8082   11.1908   18.9580 N   0  0  0  0  0
    3.6698   10.1983   16.9889 N   0  0  0  0  0
   10.1135   10.0303   20.1729 C   0  0  0  0  0
   11.3191   10.0409   19.9794 O   0  0  0  0  0
    9.3823    8.9516   19.8292 O   0  0  0  0  0
   15.6211   18.5186   19.1297 N   0  0  0  0  0
   14.6893   19.4294   19.5945 C   0  0  0  0  0
   14.2632   19.4250   20.7467 O   0  0  0  0  0
   14.2428   20.5156   18.5740 C   0  0  0  0  0
   14.6345   21.8859   19.1492 C   0  0  0  0  0
   13.9614   23.0509   18.4198 C   0  0  0  0  0
   14.2604   24.3793   19.1196 C   0  0  0  0  0
   13.5488   25.5440   18.4327 C   0  0  0  0  0
   13.8092   26.7973   19.1325 N   0  0  0  0  0
   14.8545   20.3112   17.2540 N   0  0  0  0  0
   14.3779   19.4602   16.2917 C   0  0  0  0  0
   15.1667   18.6170   15.8574 O   0  0  0  0  0
   12.9083   19.5141   15.8113 C   0  0  0  0  0
   11.9656   18.7000   16.6827 C   0  0  0  0  0
   12.4720   20.9039   15.6839 N   0  0  0  0  0
   12.6093   21.7291   14.6043 C   0  0  0  0  0
   12.8544   22.9130   14.8609 O   0  0  0  0  0
   12.5382   21.2479   13.1320 C   0  0  0  0  0
   13.8561   20.5858   12.7060 C   0  0  0  0  0
   13.4318   19.5005   11.7285 C   0  0  0  0  0
   12.0779   19.0524   12.2492 C   0  0  0  0  0
   11.4917   20.2578   12.8206 N   0  0  0  0  0
   10.1261   20.4184   12.7087 C   0  0  0  0  0
    9.4042   19.4133   12.6301 O   0  0  0  0  0
    9.4209   21.8008   12.7377 C   0  0  0  0  0
    9.2287   22.2668   14.1847 C   0  0  0  0  0
    9.3017   23.7826   14.1054 C   0  0  0  0  0
   10.2778   24.0383   12.9726 C   0  0  0  0  0
   10.0721   22.9253   12.0533 N   0  0  0  0  0
   10.2569   23.1679   10.7091 C   0  0  0  0  0
   11.0157   24.0808   10.3566 O   0  0  0  0  0
    9.5197   22.3703    9.5998 C   0  0  0  0  0
    9.8907   20.8888    9.5260 C   0  0  0  0  0
    9.5955   20.2898    8.1437 C   0  0  0  0  0
    9.8746   18.7848    8.1228 C   0  0  0  0  0
    9.5357   18.1772    6.7616 C   0  0  0  0  0
    9.7755   16.7388    6.7574 N   0  0  0  0  0
    8.0671   22.5433    9.6831 N   0  0  0  0  0
    7.2134   23.3887    9.0459 C   0  0  0  0  0
    6.0167   23.2880    9.3402 O   0  0  0  0  0
    7.6539   24.4132    7.9740 C   0  0  0  0  0
    8.6485   25.4518    8.5022 C   0  0  0  0  0
    8.6715   26.7205    7.6405 C   0  0  0  0  0
    9.7252   27.7118    8.1415 C   0  0  0  0  0
    9.7648   28.9662    7.2698 C   0  0  0  0  0
   10.8039   29.8741    7.7380 N   0  0  0  0  0
    8.1688   23.7386    6.7819 N   0  0  0  0  0
    7.4878   23.3013    5.6877 C   0  0  0  0  0
    8.1003   22.5932    4.8805 O   0  0  0  0  0
    6.0188   23.7066    5.4387 C   0  0  0  0  0
    5.9399   25.1939    5.0619 C   0  0  0  0  0
    4.9263   25.8225    5.8527 O   0  0  0  0  0
    5.5457   22.8356    4.3455 N   0  0  0  0  0
    4.3234   22.4794    3.8881 C   0  0  0  0  0
    4.2926   21.7022    2.9241 O   0  0  0  0  0
    2.9969   22.9014    4.5506 C   0  0  0  0  0
    2.7697   22.2168    5.9073 C   0  0  0  0  0
    2.7642   20.6859    5.8604 C   0  0  0  0  0
    1.5121   20.1147    5.2429 C   0  0  0  0  0
    0.8049   20.6532    4.4074 O   0  0  0  0  0
    1.2547   18.8786    5.7091 O   0  0  0  0  0
    2.8990   24.3502    4.6905 N   0  0  0  0  0
    2.4571   25.3168    3.8338 C   0  0  0  0  0
    2.7752   26.4763    4.1335 O   0  0  0  0  0
    1.7562   25.0159    2.4812 C   0  0  0  0  0
    2.7500   24.6761    1.3576 C   0  0  0  0  0
    3.3698   25.8925    0.6525 C   0  0  0  0  0
    4.5786   26.4852    1.3767 C   0  0  0  0  0
    5.2188   27.6113    0.5656 C   0  0  0  0  0
    6.3423   28.1786    1.3050 N   0  0  0  0  0
    0.7674   23.9467    2.6181 N   0  0  0  0  0
   -0.5434   24.1939    2.9593 C   0  0  0  0  0
   -1.0119   25.3239    3.0666 O   0  0  0  0  0
   -1.3761   22.9246    3.2288 C   0  0  0  0  0
   -1.5482   22.7224    4.7439 C   0  0  0  0  0
   -2.6120   23.5995    5.4103 C   0  0  0  0  0
   -2.6969   23.2990    6.9082 C   0  0  0  0  0
   -3.7971   24.0729    7.4717 N   0  0  0  0  0
   -4.1091   23.8791    8.6959 C   0  0  0  0  0
   -3.5620   23.0499    9.6119 N   0  0  0  0  0
   -5.1382   24.5588    9.2443 N   0  0  0  0  0
   -2.6465   23.0112    2.5073 N   0  0  0  0  0
   -3.1288   22.1974    1.5228 C   0  0  0  0  0
   -4.1092   22.5602    0.8705 O   0  0  0  0  0
   -2.4668   20.8214    1.2806 C   0  0  0  0  0
   -2.7691   19.8735    2.4486 C   0  0  0  0  0
   -1.7993   18.6945    2.4876 C   0  0  0  0  0
   -1.8525   17.9825    3.8177 C   0  0  0  0  0
   -0.9254   18.0049    4.6229 O   0  0  0  0  0
   -3.0057   17.3117    4.0812 N   0  0  0  0  0
   -2.9675   20.2345    0.0299 N   0  0  0  0  0
   -2.4518   20.3347   -1.2301 C   0  0  0  0  0
   -3.1584   19.9623   -2.1695 O   0  0  0  0  0
   -1.0011   20.8391   -1.4394 C   0  0  0  0  0
   -0.0443   19.7143   -0.9856 C   0  0  0  0  0
    1.4353   20.1021   -0.9234 C   0  0  0  0  0
    1.8003   20.9280    0.2926 C   0  0  0  0  0
    0.9994   21.5673    0.9655 O   0  0  0  0  0
    3.1376   20.9502    0.5514 N   0  0  0  0  0
   -0.7236   21.1661   -2.8495 N   0  0  0  0  0
   -1.2005   22.1569   -3.6496 C   0  0  0  0  0
   -0.4849   22.4639   -4.6107 O   0  0  0  0  0
   -2.5831   22.8227   -3.4321 C   0  0  0  0  0
   -2.6283   23.7818   -2.2234 C   0  0  0  0  0
   -1.6285   24.9376   -2.3177 C   0  0  0  0  0
   -4.0453   24.3299   -2.0160 C   0  0  0  0  0
   -2.9277   23.5232   -4.6817 N   0  0  0  0  0
   -3.5393   23.0609   -5.8056 C   0  0  0  0  0
   -3.4369   23.7494   -6.8302 O   0  0  0  0  0
   -4.3538   21.7439   -5.8429 C   0  0  0  0  0
   -3.4604   20.5016   -5.7442 C   0  0  0  0  0
   -4.1677   19.2614   -6.3010 C   0  0  0  0  0
   -3.2679   18.0274   -6.2586 C   0  0  0  0  0
   -4.0007   16.9239   -6.8682 N   0  0  0  0  0
   -3.3909   15.8216   -7.0789 C   0  0  0  0  0
   -2.1152   15.4699   -6.8089 N   0  0  0  0  0
   -4.0421   14.7932   -7.6624 N   0  0  0  0  0
   -5.4306   21.7416   -4.8513 N   0  0  0  0  0
   -6.6949   22.2457   -4.9037 C   0  0  0  0  0
   -7.3658   22.2134   -3.8672 O   0  0  0  0  0
   -7.3503   22.7453   -6.2169 C   0  0  0  0  0
   -6.5465   23.8164   -6.9482 C   0  0  0  0  0
   -7.3853   24.6636   -7.8992 C   0  0  0  0  0
   -6.6513   25.8632   -8.4694 C   0  0  0  0  0
   -7.2535   26.8649   -8.8467 O   0  0  0  0  0
   -5.3048   25.7682   -8.6400 N   0  0  0  0  0
   -7.6249   21.5829   -7.0656 N   0  0  0  0  0
   -8.7405   20.7926   -7.0351 C   0  0  0  0  0
   -8.5446   19.5747   -7.1174 O   0  0  0  0  0
  -10.1648   21.3542   -7.2284 C   0  0  0  0  0
  -10.6082   22.5208   -6.3332 C   0  0  0  0  0
  -12.0944   22.6863   -6.2933 C   0  0  0  0  0
  -13.0670   22.0784   -5.5283 C   0  0  0  0  0
  -14.3138   22.5142   -5.8899 N   0  0  0  0  0
  -14.1148   23.4076   -6.8304 C   0  0  0  0  0
  -12.7852   23.5593   -7.1025 N   0  0  0  0  0
  -10.2547   21.6759   -8.6703 N   0  0  0  0  0
  -11.4342   21.8194   -9.3423 C   0  0  0  0  0
  -11.6661   22.9457   -9.7966 O   0  0  0  0  0
  -12.3106   20.5791   -9.7048 C   0  0  0  0  0
  -12.6105   19.6134   -8.5586 C   0  0  0  0  0
  -13.5178   18.4436   -8.9461 C   0  0  0  0  0
  -13.8818   17.5388   -7.7983 C   0  0  0  0  0
  -14.7428   16.6740   -7.8391 O   0  0  0  0  0
  -13.1377   17.7026   -6.6924 O   0  0  0  0  0
  -13.5645   21.1039  -10.2686 N   0  0  0  0  0
  -13.8765   21.4317  -11.5537 C   0  0  0  0  0
  -14.7483   22.2916  -11.7200 O   0  0  0  0  0
  -13.1909   20.8090  -12.7893 C   0  0  0  0  0
  -11.9977   21.6864  -13.1904 C   0  0  0  0  0
  -11.0608   20.7191  -13.8909 C   0  0  0  0  0
  -11.2277   19.4471  -13.0802 C   0  0  0  0  0
  -12.6305   19.4581  -12.6675 N   0  0  0  0  0
  -13.2510   18.2535  -12.4382 C   0  0  0  0  0
  -12.5457   17.2572  -12.2143 O   0  0  0  0  0
  -14.7600   18.0094  -12.6865 C   0  0  0  0  0
  -15.7959   19.0986  -12.4512 C   0  0  0  0  0
  -17.0831   18.4999  -12.2657 O   0  0  0  0  0
  -14.8339   17.4378  -14.0472 N   0  0  0  0  0
  -14.9273   16.1052  -14.3588 C   0  0  0  0  0
  -14.2619   15.6898  -15.3106 O   0  0  0  0  0
  -15.8815   15.1517  -13.5876 C   0  0  0  0  0
  -15.2118   14.5678  -12.3297 C   0  0  0  0  0
  -16.1446   13.8426  -11.3410 C   0  0  0  0  0
  -16.7090   12.5500  -11.9226 C   0  0  0  0  0
  -15.3869   13.5243  -10.0481 C   0  0  0  0  0
  -17.1326   15.8792  -13.3472 N   0  0  0  0  0
  -18.0044   16.2564  -14.3404 C   0  0  0  0  0
  -18.4083   17.4249  -14.3373 O   0  0  0  0  0
  -18.4316   15.2978  -15.4739 C   0  0  0  0  0
  -17.4074   15.2794  -16.6185 C   0  0  0  0  0
  -17.9788   14.6908  -17.8884 C   0  0  0  0  0
  -18.5653   15.5181  -18.8549 C   0  0  0  0  0
  -19.1029   14.9687  -20.0199 C   0  0  0  0  0
  -19.0644   13.5910  -20.2264 C   0  0  0  0  0
  -18.4861   12.7598  -19.2702 C   0  0  0  0  0
  -17.9447   13.3061  -18.1068 C   0  0  0  0  0
  -18.6981   13.9660  -14.9334 N   0  0  0  0  0
  -19.8096   13.4498  -14.3514 C   0  0  0  0  0
  -19.6926   12.3350  -13.8316 O   0  0  0  0  0
  -21.1928   14.1196  -14.4116 C   0  0  0  0  0
  -21.2521   15.5275  -13.8173 C   0  0  0  0  0
  -22.5823   15.8230  -13.3882 O   0  0  0  0  0
  -21.6968   14.0733  -15.7880 N   0  0  0  0  0
  -22.4306   13.1074  -16.4067 C   0  0  0  0  0
  -22.4177   13.1084  -17.6419 O   0  0  0  0  0
  -23.2282   12.0288  -15.6493 C   0  0  0  0  0
  -22.3256   10.9170  -15.1085 C   0  0  0  0  0
  -23.0930    9.7276  -14.8959 O   0  0  0  0  0
  -24.0897   12.5811  -14.5997 N   0  0  0  0  0
  -25.3177   13.1637  -14.7413 C   0  0  0  0  0
  -25.8319   13.6789  -13.7481 O   0  0  0  0  0
  -26.0090   13.1526  -16.1073 C   0  0  0  0  0
  -26.7095   11.8822  -16.3213 N   0  0  0  0  0
   19.1337   19.6023   22.6662 H   0  0  0  0  0
   18.5682   18.0194   23.2301 H   0  0  0  0  0
   17.4654   19.4077   23.2177 H   0  0  0  0  0
   17.5777   19.5109   20.7478 H   0  0  0  0  0
   19.2905   16.9730   20.9068 H   0  0  0  0  0
   19.9051   18.5946   20.5453 H   0  0  0  0  0
   18.7887   17.8152   19.4286 H   0  0  0  0  0
   15.8696   18.1109   21.9371 H   0  0  0  0  0
   16.8919   16.7013   21.7707 H   0  0  0  0  0
   16.7728   16.8405   19.3169 H   0  0  0  0  0
   14.4437   14.5264   20.1925 H   0  0  0  0  0
   13.6004   14.4117   22.2308 H   0  0  0  0  0
   13.9163   17.4182   22.5934 H   0  0  0  0  0
   15.0491   16.2324   23.2325 H   0  0  0  0  0
   13.2558   15.1565   24.5639 H   0  0  0  0  0
   12.0616   16.2896   23.9301 H   0  0  0  0  0
   12.7166   18.7384   24.1315 H   0  0  0  0  0
   13.3677   19.1440   25.6950 H   0  0  0  0  0
   10.7778   16.2205   19.0617 H   0  0  0  0  0
    9.6970   15.0414   19.8525 H   0  0  0  0  0
   10.0118   13.9893   17.6900 H   0  0  0  0  0
   11.6678   14.5912   17.5742 H   0  0  0  0  0
   10.8029   12.1068   18.8604 H   0  0  0  0  0
   12.3926   12.6359   18.4193 H   0  0  0  0  0
   12.8891   13.0795   20.5734 H   0  0  0  0  0
    9.8308   11.8686   22.7263 H   0  0  0  0  0
    8.6303   10.5772   21.5412 H   0  0  0  0  0
    8.8977   12.6707   19.3433 H   0  0  0  0  0
    7.7456   12.6175   20.6370 H   0  0  0  0  0
    6.7969   10.4916   19.7109 H   0  0  0  0  0
    7.9682   10.5469   18.3927 H   0  0  0  0  0
    7.0805   12.7334   17.6370 H   0  0  0  0  0
    5.9029   12.7523   18.9307 H   0  0  0  0  0
    4.4007   11.4976   19.7173 H   0  0  0  0  0
    3.2176   10.4195   19.2474 H   0  0  0  0  0
    4.0938   10.1338   16.0680 H   0  0  0  0  0
    2.7309   10.5716   16.9207 H   0  0  0  0  0
   10.0273    8.3226   19.4408 H   0  0  0  0  0
   15.5895   18.3402   18.1296 H   0  0  0  0  0
   13.1584   20.4404   18.4931 H   0  0  0  0  0
   15.7249   22.0100   19.1154 H   0  0  0  0  0
   14.3519   21.9327   20.2088 H   0  0  0  0  0
   12.8768   22.8909   18.3961 H   0  0  0  0  0
   14.3104   23.0945   17.3820 H   0  0  0  0  0
   15.3436   24.5539   19.1257 H   0  0  0  0  0
   13.9385   24.3183   20.1672 H   0  0  0  0  0
   12.4676   25.3690   18.4122 H   0  0  0  0  0
   13.8853   25.6363   17.3947 H   0  0  0  0  0
   14.8134   26.9710   19.1612 H   0  0  0  0  0
   13.5120   26.7164   20.1044 H   0  0  0  0  0
   15.8632   20.2205   17.3229 H   0  0  0  0  0
   12.9167   19.0645   14.8224 H   0  0  0  0  0
   11.7662   19.1669   17.6495 H   0  0  0  0  0
   12.3688   17.6994   16.8691 H   0  0  0  0  0
   10.9963   18.5877   16.1837 H   0  0  0  0  0
   12.5749   21.4486   16.5305 H   0  0  0  0  0
   12.3720   22.1190   12.4965 H   0  0  0  0  0
   14.4016   20.1479   13.5453 H   0  0  0  0  0
   14.5340   21.3075   12.2376 H   0  0  0  0  0
   13.3200   19.9347   10.7275 H   0  0  0  0  0
   14.1511   18.6796   11.6630 H   0  0  0  0  0
   11.4582   18.6391   11.4464 H   0  0  0  0  0
   12.1681   18.2959   13.0330 H   0  0  0  0  0
    8.4412   21.6732   12.2668 H   0  0  0  0  0
   10.0035   21.8831   14.8512 H   0  0  0  0  0
    8.2702   21.9285   14.5925 H   0  0  0  0  0
    8.3148   24.1823   13.8421 H   0  0  0  0  0
    9.6154   24.2457   15.0450 H   0  0  0  0  0
   10.0867   25.0021   12.4888 H   0  0  0  0  0
   11.3146   24.0269   13.3099 H   0  0  0  0  0
    9.8534   22.8280    8.6654 H   0  0  0  0  0
    9.3143   20.3216   10.2598 H   0  0  0  0  0
   10.9540   20.7559    9.7556 H   0  0  0  0  0
   10.2096   20.7905    7.3855 H   0  0  0  0  0
    8.5462   20.4664    7.8783 H   0  0  0  0  0
    9.2803   18.2937    8.9040 H   0  0  0  0  0
   10.9306   18.6051    8.3607 H   0  0  0  0  0
   10.1417   18.6425    5.9769 H   0  0  0  0  0
    8.4845   18.3614    6.5147 H   0  0  0  0  0
   10.7478   16.5498    6.9971 H   0  0  0  0  0
    9.2151   16.2950    7.4846 H   0  0  0  0  0
    7.5727   21.9653   10.3521 H   0  0  0  0  0
    6.7352   24.9395    7.6952 H   0  0  0  0  0
    9.6598   25.0379    8.5110 H   0  0  0  0  0
    8.3959   25.7214    9.5349 H   0  0  0  0  0
    7.6823   27.1938    7.6542 H   0  0  0  0  0
    8.8919   26.4572    6.5992 H   0  0  0  0  0
   10.7105   27.2281    8.1373 H   0  0  0  0  0
    9.5052   27.9857    9.1810 H   0  0  0  0  0
    8.7957   29.4761    7.2959 H   0  0  0  0  0
    9.9719   28.6956    6.2289 H   0  0  0  0  0
   10.7831   30.7301    7.1854 H   0  0  0  0  0
   10.6158   30.1498    8.7011 H   0  0  0  0  0
    9.1185   23.3880    6.8061 H   0  0  0  0  0
    5.4336   23.4756    6.3307 H   0  0  0  0  0
    5.6831   25.3246    4.0059 H   0  0  0  0  0
    6.8740   25.7307    5.2485 H   0  0  0  0  0
    4.5316   26.5387    5.3060 H   0  0  0  0  0
    6.3018   22.4176    3.8037 H   0  0  0  0  0
    2.2175   22.5789    3.8671 H   0  0  0  0  0
    1.8159   22.5666    6.3246 H   0  0  0  0  0
    3.5391   22.5311    6.6197 H   0  0  0  0  0
    2.8141   20.3261    6.8958 H   0  0  0  0  0
    3.6330   20.2885    5.3277 H   0  0  0  0  0
    0.4173   18.5656    5.2724 H   0  0  0  0  0
    3.3959   24.7619    5.4789 H   0  0  0  0  0
    1.2041   25.9253    2.2134 H   0  0  0  0  0
    2.2095   24.1191    0.5805 H   0  0  0  0  0
    3.5417   24.0115    1.7140 H   0  0  0  0  0
    2.6087   26.6648    0.4897 H   0  0  0  0  0
    3.6980   25.5673   -0.3434 H   0  0  0  0  0
    5.3189   25.6964    1.5589 H   0  0  0  0  0
    4.2789   26.8808    2.3486 H   0  0  0  0  0
    4.4856   28.3986    0.3586 H   0  0  0  0  0
    5.5785   27.2271   -0.3947 H   0  0  0  0  0
    5.9933   28.6208    2.1556 H   0  0  0  0  0
    6.7565   28.9305    0.7538 H   0  0  0  0  0
    0.9978   23.0177    2.2590 H   0  0  0  0  0
   -0.8134   22.0706    2.8498 H   0  0  0  0  0
   -0.5852   22.8903    5.2427 H   0  0  0  0  0
   -1.8114   21.6749    4.9306 H   0  0  0  0  0
   -3.5922   23.4165    4.9539 H   0  0  0  0  0
   -2.3839   24.6611    5.2634 H   0  0  0  0  0
   -1.7503   23.5725    7.3893 H   0  0  0  0  0
   -2.8686   22.2254    7.0543 H   0  0  0  0  0
   -2.6444   22.7055    9.3615 H   0  0  0  0  0
   -3.5521   23.4631   10.5375 H   0  0  0  0  0
   -5.6349   25.0665    8.5176 H   0  0  0  0  0
   -5.7726   23.9542    9.7510 H   0  0  0  0  0
   -3.1239   23.9075    2.5693 H   0  0  0  0  0
   -1.3975   20.9856    1.1741 H   0  0  0  0  0
   -3.8003   19.5025    2.3779 H   0  0  0  0  0
   -2.7209   20.4045    3.4026 H   0  0  0  0  0
   -0.7680   19.0393    2.3487 H   0  0  0  0  0
   -2.0163   17.9780    1.6877 H   0  0  0  0  0
   -3.7680   17.2338    3.4214 H   0  0  0  0  0
   -3.0810   16.8102    4.9574 H   0  0  0  0  0
   -3.9673   20.0544    0.0018 H   0  0  0  0  0
   -0.8487   21.7548   -0.8640 H   0  0  0  0  0
   -0.1429   18.8744   -1.6876 H   0  0  0  0  0
   -0.3442   19.3183   -0.0106 H   0  0  0  0  0
    1.7532   20.6491   -1.8163 H   0  0  0  0  0
    2.0225   19.1758   -0.8830 H   0  0  0  0  0
    3.7931   20.3198    0.1095 H   0  0  0  0  0
    3.4745   21.3786    1.4163 H   0  0  0  0  0
    0.1752   20.8710   -3.2100 H   0  0  0  0  0
   -3.3153   22.0346   -3.2880 H   0  0  0  0  0
   -2.3761   23.2209   -1.3202 H   0  0  0  0  0
   -0.6047   24.5688   -2.4339 H   0  0  0  0  0
   -1.6566   25.5403   -1.4030 H   0  0  0  0  0
   -1.8519   25.6039   -3.1567 H   0  0  0  0  0
   -4.3607   24.9669   -2.8489 H   0  0  0  0  0
   -4.0970   24.9284   -1.1001 H   0  0  0  0  0
   -4.7679   23.5123   -1.9202 H   0  0  0  0  0
   -2.3240   24.3053   -4.9109 H   0  0  0  0  0
   -4.8171   21.7138   -6.8312 H   0  0  0  0  0
   -3.1676   20.3045   -4.7108 H   0  0  0  0  0
   -2.5362   20.6696   -6.3111 H   0  0  0  0  0
   -4.4762   19.4472   -7.3379 H   0  0  0  0  0
   -5.0851   19.0642   -5.7324 H   0  0  0  0  0
   -3.0156   17.7907   -5.2184 H   0  0  0  0  0
   -2.3422   18.2324   -6.8097 H   0  0  0  0  0
   -1.6505   16.0811   -6.1506 H   0  0  0  0  0
   -2.0423   14.5007   -6.5219 H   0  0  0  0  0
   -4.9513   15.1100   -7.9890 H   0  0  0  0  0
   -3.5156   14.3878   -8.4262 H   0  0  0  0  0
   -5.1950   21.4246   -3.9157 H   0  0  0  0  0
   -8.2844   23.1970   -5.8924 H   0  0  0  0  0
   -5.7733   23.3462   -7.5576 H   0  0  0  0  0
   -6.0580   24.4726   -6.2181 H   0  0  0  0  0
   -8.2608   25.0514   -7.3651 H   0  0  0  0  0
   -7.7427   24.0581   -8.7394 H   0  0  0  0  0
   -4.7134   25.0772   -8.1865 H   0  0  0  0  0
   -4.8343   26.5921   -8.9926 H   0  0  0  0  0
   -6.8314   20.9504   -7.1180 H   0  0  0  0  0
  -10.8266   20.5191   -7.0005 H   0  0  0  0  0
  -10.1738   23.4628   -6.6867 H   0  0  0  0  0
  -10.2573   22.3533   -5.3077 H   0  0  0  0  0
  -12.9386   21.3309   -4.7549 H   0  0  0  0  0
  -14.8817   23.9665   -7.3509 H   0  0  0  0  0
  -12.3975   24.1536   -7.8271 H   0  0  0  0  0
   -9.6761   22.4839   -8.8697 H   0  0  0  0  0
  -11.7550   20.0492  -10.4723 H   0  0  0  0  0
  -13.0600   20.1555   -7.7205 H   0  0  0  0  0
  -11.6685   19.1790   -8.2091 H   0  0  0  0  0
  -13.0125   17.8229   -9.6903 H   0  0  0  0  0
  -14.4582   18.8152   -9.3648 H   0  0  0  0  0
  -13.4839   17.0277   -6.0707 H   0  0  0  0  0
  -14.0947   21.6875   -9.6279 H   0  0  0  0  0
  -13.9155   20.7769  -13.6097 H   0  0  0  0  0
  -11.4973   22.1152  -12.3161 H   0  0  0  0  0
  -12.2985   22.5171  -13.8367 H   0  0  0  0  0
  -11.3999   20.5567  -14.9213 H   0  0  0  0  0
  -10.0258   21.0696  -13.9211 H   0  0  0  0  0
  -10.9884   18.5560  -13.6696 H   0  0  0  0  0
  -10.5961   19.4560  -12.1869 H   0  0  0  0  0
  -15.0172   17.2307  -11.9691 H   0  0  0  0  0
  -15.8638   19.8157  -13.2731 H   0  0  0  0  0
  -15.5924   19.6227  -11.5192 H   0  0  0  0  0
  -17.5807   18.5810  -13.1110 H   0  0  0  0  0
  -14.2063   17.8846  -14.7076 H   0  0  0  0  0
  -16.1022   14.3221  -14.2619 H   0  0  0  0  0
  -14.6705   15.3390  -11.7796 H   0  0  0  0  0
  -14.4247   13.8746  -12.6590 H   0  0  0  0  0
  -16.9786   14.5044  -11.0780 H   0  0  0  0  0
  -15.9117   11.8418  -12.1712 H   0  0  0  0  0
  -17.2795   12.7432  -12.8296 H   0  0  0  0  0
  -17.3818   12.0644  -11.2074 H   0  0  0  0  0
  -14.5427   12.8523  -10.2369 H   0  0  0  0  0
  -16.0472   13.0432   -9.3186 H   0  0  0  0  0
  -14.9959   14.4384   -9.5901 H   0  0  0  0  0
  -17.0454   16.6334  -12.6662 H   0  0  0  0  0
  -19.3762   15.6903  -15.8602 H   0  0  0  0  0
  -16.5177   14.6996  -16.3545 H   0  0  0  0  0
  -17.0506   16.2970  -16.8242 H   0  0  0  0  0
  -18.6009   16.5962  -18.7149 H   0  0  0  0  0
  -19.5525   15.6146  -20.7696 H   0  0  0  0  0
  -19.4864   13.1640  -21.1324 H   0  0  0  0  0
  -18.4572   11.6852  -19.4311 H   0  0  0  0  0
  -17.4939   12.6396  -17.3751 H   0  0  0  0  0
  -17.9010   13.3563  -14.8023 H   0  0  0  0  0
  -21.8396   13.4921  -13.7956 H   0  0  0  0  0
  -20.9683   16.3029  -14.5329 H   0  0  0  0  0
  -20.6045   15.6103  -12.9393 H   0  0  0  0  0
  -23.1640   15.8009  -14.1696 H   0  0  0  0  0
  -21.1891   14.6172  -16.4788 H   0  0  0  0  0
  -23.8932   11.5764  -16.3928 H   0  0  0  0  0
  -21.8707   11.1804  -14.1514 H   0  0  0  0  0
  -21.5273   10.6735  -15.8166 H   0  0  0  0  0
  -23.7687    9.9379  -14.2254 H   0  0  0  0  0
  -23.7332   12.6717  -13.6550 H   0  0  0  0  0
  -25.2865   13.3401  -16.9058 H   0  0  0  0  0
  -26.7295   13.9771  -16.1252 H   0  0  0  0  0
  -26.0468   11.1094  -16.3267 H   0  0  0  0  0
  -27.1463   11.8950  -17.2414 H   0  0  0  0  0
  1  2  1  0  0  0
  1230  1  0  0  0
  1231  1  0  0  0
  1232  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2233  1  0  0  0
  3234  1  0  0  0
  3235  1  0  0  0
  3236  1  0  0  0
  4  5  1  0  0  0
  4237  1  0  0  0
  4238  1  0  0  0
  5 36  1  0  0  0
  5  6  1  0  0  0
  5239  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8240  1  0  0  0
  9 15  1  0  0  0
  9 10  1  0  0  0
  9241  1  0  0  0
 10 11  1  0  0  0
 10242  1  0  0  0
 10243  1  0  0  0
 11 12  1  0  0  0
 11244  1  0  0  0
 11245  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14246  1  0  0  0
 14247  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 21  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18248  1  0  0  0
 18249  1  0  0  0
 19 20  1  0  0  0
 19250  1  0  0  0
 19251  1  0  0  0
 20 21  1  0  0  0
 20252  1  0  0  0
 20253  1  0  0  0
 21 22  1  0  0  0
 21254  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24255  1  0  0  0
 25 33  1  0  0  0
 25 26  1  0  0  0
 25256  1  0  0  0
 26 27  1  0  0  0
 26257  1  0  0  0
 26258  1  0  0  0
 27 28  1  0  0  0
 27259  1  0  0  0
 27260  1  0  0  0
 28 29  1  0  0  0
 28261  1  0  0  0
 28262  1  0  0  0
 29 30  2  0  0  0
 30 32  1  0  0  0
 30 31  1  0  0  0
 31263  1  0  0  0
 31264  1  0  0  0
 32265  1  0  0  0
 32266  1  0  0  0
 33 35  1  0  0  0
 33 34  2  0  0  0
 35267  1  0  0  0
 36 37  1  0  0  0
 36268  1  0  0  0
 37 39  1  0  0  0
 37 38  2  0  0  0
 39 45  1  0  0  0
 39 40  1  0  0  0
 39269  1  0  0  0
 40 41  1  0  0  0
 40270  1  0  0  0
 40271  1  0  0  0
 41 42  1  0  0  0
 41272  1  0  0  0
 41273  1  0  0  0
 42 43  1  0  0  0
 42274  1  0  0  0
 42275  1  0  0  0
 43 44  1  0  0  0
 43276  1  0  0  0
 43277  1  0  0  0
 44278  1  0  0  0
 44279  1  0  0  0
 45 46  1  0  0  0
 45280  1  0  0  0
 46 48  1  0  0  0
 46 47  2  0  0  0
 48 50  1  0  0  0
 48 49  1  0  0  0
 48281  1  0  0  0
 49282  1  0  0  0
 49283  1  0  0  0
 49284  1  0  0  0
 50 51  1  0  0  0
 50285  1  0  0  0
 51 53  1  0  0  0
 51 52  2  0  0  0
 53 57  1  0  0  0
 53 54  1  0  0  0
 53286  1  0  0  0
 54 55  1  0  0  0
 54287  1  0  0  0
 54288  1  0  0  0
 55 56  1  0  0  0
 55289  1  0  0  0
 55290  1  0  0  0
 56 57  1  0  0  0
 56291  1  0  0  0
 56292  1  0  0  0
 57 58  1  0  0  0
 58 60  1  0  0  0
 58 59  2  0  0  0
 60 64  1  0  0  0
 60 61  1  0  0  0
 60293  1  0  0  0
 61 62  1  0  0  0
 61294  1  0  0  0
 61295  1  0  0  0
 62 63  1  0  0  0
 62296  1  0  0  0
 62297  1  0  0  0
 63 64  1  0  0  0
 63298  1  0  0  0
 63299  1  0  0  0
 64 65  1  0  0  0
 65 67  1  0  0  0
 65 66  2  0  0  0
 67 73  1  0  0  0
 67 68  1  0  0  0
 67300  1  0  0  0
 68 69  1  0  0  0
 68301  1  0  0  0
 68302  1  0  0  0
 69 70  1  0  0  0
 69303  1  0  0  0
 69304  1  0  0  0
 70 71  1  0  0  0
 70305  1  0  0  0
 70306  1  0  0  0
 71 72  1  0  0  0
 71307  1  0  0  0
 71308  1  0  0  0
 72309  1  0  0  0
 72310  1  0  0  0
 73 74  1  0  0  0
 73311  1  0  0  0
 74 76  1  0  0  0
 74 75  2  0  0  0
 76 82  1  0  0  0
 76 77  1  0  0  0
 76312  1  0  0  0
 77 78  1  0  0  0
 77313  1  0  0  0
 77314  1  0  0  0
 78 79  1  0  0  0
 78315  1  0  0  0
 78316  1  0  0  0
 79 80  1  0  0  0
 79317  1  0  0  0
 79318  1  0  0  0
 80 81  1  0  0  0
 80319  1  0  0  0
 80320  1  0  0  0
 81321  1  0  0  0
 81322  1  0  0  0
 82 83  1  0  0  0
 82323  1  0  0  0
 83 85  1  0  0  0
 83 84  2  0  0  0
 85 88  1  0  0  0
 85 86  1  0  0  0
 85324  1  0  0  0
 86 87  1  0  0  0
 86325  1  0  0  0
 86326  1  0  0  0
 87327  1  0  0  0
 88 89  1  0  0  0
 88328  1  0  0  0
 89 91  1  0  0  0
 89 90  2  0  0  0
 91 97  1  0  0  0
 91 92  1  0  0  0
 91329  1  0  0  0
 92 93  1  0  0  0
 92330  1  0  0  0
 92331  1  0  0  0
 93 94  1  0  0  0
 93332  1  0  0  0
 93333  1  0  0  0
 94 96  1  0  0  0
 94 95  2  0  0  0
 96334  1  0  0  0
 97 98  1  0  0  0
 97335  1  0  0  0
 98100  1  0  0  0
 98 99  2  0  0  0
100106  1  0  0  0
100101  1  0  0  0
100336  1  0  0  0
101102  1  0  0  0
101337  1  0  0  0
101338  1  0  0  0
102103  1  0  0  0
102339  1  0  0  0
102340  1  0  0  0
103104  1  0  0  0
103341  1  0  0  0
103342  1  0  0  0
104105  1  0  0  0
104343  1  0  0  0
104344  1  0  0  0
105345  1  0  0  0
105346  1  0  0  0
106107  1  0  0  0
106347  1  0  0  0
107109  1  0  0  0
107108  2  0  0  0
109117  1  0  0  0
109110  1  0  0  0
109348  1  0  0  0
110111  1  0  0  0
110349  1  0  0  0
110350  1  0  0  0
111112  1  0  0  0
111351  1  0  0  0
111352  1  0  0  0
112113  1  0  0  0
112353  1  0  0  0
112354  1  0  0  0
113114  2  0  0  0
114116  1  0  0  0
114115  1  0  0  0
115355  1  0  0  0
115356  1  0  0  0
116357  1  0  0  0
116358  1  0  0  0
117118  1  0  0  0
117359  1  0  0  0
118120  1  0  0  0
118119  2  0  0  0
120126  1  0  0  0
120121  1  0  0  0
120360  1  0  0  0
121122  1  0  0  0
121361  1  0  0  0
121362  1  0  0  0
122123  1  0  0  0
122363  1  0  0  0
122364  1  0  0  0
123125  1  0  0  0
123124  2  0  0  0
125365  1  0  0  0
125366  1  0  0  0
126127  1  0  0  0
126367  1  0  0  0
127129  1  0  0  0
127128  2  0  0  0
129135  1  0  0  0
129130  1  0  0  0
129368  1  0  0  0
130131  1  0  0  0
130369  1  0  0  0
130370  1  0  0  0
131132  1  0  0  0
131371  1  0  0  0
131372  1  0  0  0
132134  1  0  0  0
132133  2  0  0  0
134373  1  0  0  0
134374  1  0  0  0
135136  1  0  0  0
135375  1  0  0  0
136138  1  0  0  0
136137  2  0  0  0
138142  1  0  0  0
138139  1  0  0  0
138376  1  0  0  0
139141  1  0  0  0
139140  1  0  0  0
139377  1  0  0  0
140378  1  0  0  0
140379  1  0  0  0
140380  1  0  0  0
141381  1  0  0  0
141382  1  0  0  0
141383  1  0  0  0
142143  1  0  0  0
142384  1  0  0  0
143145  1  0  0  0
143144  2  0  0  0
145153  1  0  0  0
145146  1  0  0  0
145385  1  0  0  0
146147  1  0  0  0
146386  1  0  0  0
146387  1  0  0  0
147148  1  0  0  0
147388  1  0  0  0
147389  1  0  0  0
148149  1  0  0  0
148390  1  0  0  0
148391  1  0  0  0
149150  2  0  0  0
150152  1  0  0  0
150151  1  0  0  0
151392  1  0  0  0
151393  1  0  0  0
152394  1  0  0  0
152395  1  0  0  0
153154  1  0  0  0
153396  1  0  0  0
154156  1  0  0  0
154155  2  0  0  0
156162  1  0  0  0
156157  1  0  0  0
156397  1  0  0  0
157158  1  0  0  0
157398  1  0  0  0
157399  1  0  0  0
158159  1  0  0  0
158400  1  0  0  0
158401  1  0  0  0
159161  1  0  0  0
159160  2  0  0  0
161402  1  0  0  0
161403  1  0  0  0
162163  1  0  0  0
162404  1  0  0  0
163165  1  0  0  0
163164  2  0  0  0
165172  1  0  0  0
165166  1  0  0  0
165405  1  0  0  0
166167  1  0  0  0
166406  1  0  0  0
166407  1  0  0  0
167168  2  0  0  0
167171  1  0  0  0
168169  1  0  0  0
168408  1  0  0  0
169170  2  0  0  0
170171  1  0  0  0
170409  1  0  0  0
171410  1  0  0  0
172173  1  0  0  0
172411  1  0  0  0
173175  1  0  0  0
173174  2  0  0  0
175181  1  0  0  0
175176  1  0  0  0
175412  1  0  0  0
176177  1  0  0  0
176413  1  0  0  0
176414  1  0  0  0
177178  1  0  0  0
177415  1  0  0  0
177416  1  0  0  0
178180  1  0  0  0
178179  2  0  0  0
180417  1  0  0  0
181182  1  0  0  0
181418  1  0  0  0
182184  1  0  0  0
182183  2  0  0  0
184188  1  0  0  0
184185  1  0  0  0
184419  1  0  0  0
185186  1  0  0  0
185420  1  0  0  0
185421  1  0  0  0
186187  1  0  0  0
186422  1  0  0  0
186423  1  0  0  0
187188  1  0  0  0
187424  1  0  0  0
187425  1  0  0  0
188189  1  0  0  0
189191  1  0  0  0
189190  2  0  0  0
191194  1  0  0  0
191192  1  0  0  0
191426  1  0  0  0
192193  1  0  0  0
192427  1  0  0  0
192428  1  0  0  0
193429  1  0  0  0
194195  1  0  0  0
194430  1  0  0  0
195197  1  0  0  0
195196  2  0  0  0
197202  1  0  0  0
197198  1  0  0  0
197431  1  0  0  0
198199  1  0  0  0
198432  1  0  0  0
198433  1  0  0  0
199201  1  0  0  0
199200  1  0  0  0
199434  1  0  0  0
200435  1  0  0  0
200436  1  0  0  0
200437  1  0  0  0
201438  1  0  0  0
201439  1  0  0  0
201440  1  0  0  0
202203  1  0  0  0
202441  1  0  0  0
203205  1  0  0  0
203204  2  0  0  0
205213  1  0  0  0
205206  1  0  0  0
205442  1  0  0  0
206207  1  0  0  0
206443  1  0  0  0
206444  1  0  0  0
207208  2  0  0  0
207212  1  0  0  0
208209  1  0  0  0
208445  1  0  0  0
209210  2  0  0  0
209446  1  0  0  0
210211  1  0  0  0
210447  1  0  0  0
211212  2  0  0  0
211448  1  0  0  0
212449  1  0  0  0
213214  1  0  0  0
213450  1  0  0  0
214216  1  0  0  0
214215  2  0  0  0
216219  1  0  0  0
216217  1  0  0  0
216451  1  0  0  0
217218  1  0  0  0
217452  1  0  0  0
217453  1  0  0  0
218454  1  0  0  0
219220  1  0  0  0
219455  1  0  0  0
220222  1  0  0  0
220221  2  0  0  0
222225  1  0  0  0
222223  1  0  0  0
222456  1  0  0  0
223224  1  0  0  0
223457  1  0  0  0
223458  1  0  0  0
224459  1  0  0  0
225226  1  0  0  0
225460  1  0  0  0
226228  1  0  0  0
226227  2  0  0  0
228229  1  0  0  0
228461  1  0  0  0
228462  1  0  0  0
229463  1  0  0  0
229464  1  0  0  0
M  END

>  <Chemical Name>
BDBM50163757

>  <PubChem CID>
91936721

>  <Formula>
C141H235N47O41

>  <Molecular Weight>
3244.719000

>  <IUPAC Name>
(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[(2S)-2-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[(2S)-2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

>  <XlogP>
-23.0

>  <Hydrogen Bond Donors>
46

>  <Hydrogen Bond Acceptors>
50

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC4=CN=CN4)NC(=O)C(CCC(=O)O)NC(=O)C5CCCN5C(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CO)NC(=O)C(CO)NC(=O)CN

>  <Isomeric SMILES>
C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN

>  <InChI Std. ID>
InChI=1S/C141H235N47O41/c1-73(2)62-92(123(213)175-90(42-48-107(150)196)135(225)185-58-22-37-102(185)132(222)176-91(138(228)229)34-21-57-160-141(155)156)177-116(206)79(28-11-15-51-142)164-112(202)76(7)162-130(220)100-35-24-60-187(100)137(227)103-38-25-61-188(103)134(224)89(31-14-18-54-145)174-115(205)81(30-13-17-53-144)168-128(218)97(69-190)181-121(211)87(43-49-109(198)199)170-113(203)80(29-12-16-52-143)165-114(204)82(32-19-55-158-139(151)152)166-117(207)84(39-45-104(147)193)169-119(209)86(41-47-106(149)195)173-133(223)111(75(5)6)184-122(212)83(33-20-56-159-140(153)154)167-118(208)85(40-46-105(148)194)171-126(216)95(65-78-67-157-72-161-78)180-120(210)88(44-50-110(200)201)172-131(221)101-36-23-59-186(101)136(226)99(71-192)183-124(214)93(63-74(3)4)178-125(215)94(64-77-26-9-8-10-27-77)179-129(219)98(70-191)182-127(217)96(68-189)163-108(197)66-146/h8-10,26-27,67,72-76,79-103,111,189-192H,11-25,28-66,68-71,142-146H2,1-7H3,(H2,147,193)(H2,148,194)(H2,149,195)(H2,150,196)(H,157,161)(H,162,220)(H,163,197)(H,164,202)(H,165,204)(H,166,207)(H,167,208)(H,168,218)(H,169,209)(H,170,203)(H,171,216)(H,172,221)(H,173,223)(H,174,205)(H,175,213)(H,176,222)(H,177,206)(H,178,215)(H,179,219)(H,180,210)(H,181,211)(H,182,217)(H,183,214)(H,184,212)(H,198,199)(H,200,201)(H,228,229)(H4,151,152,158)(H4,153,154,159)(H4,155,156,160)/t76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,111-/m0/s1

>  <InChI Key>
BGHSOEHUOOAYMY-JTZMCQEISA-N

