
 CHEMBL410502

502511  0  0  0  0  0  0  0  0999 V2000
   23.6825    5.8051    9.2085 C   0  0  0  0  0
   23.0905    5.8759    7.8070 C   0  0  0  0  0
   21.6583    5.2952    7.6979 C   0  0  0  0  0
   20.6825    6.0789    8.5853 C   0  0  0  0  0
   21.2178    5.2536    6.2055 C   0  0  0  0  0
   21.9457    4.1383    5.4313 C   0  0  0  0  0
   22.9137    4.4505    4.7229 O   0  0  0  0  0
   21.7200    2.8119    5.5412 N   0  0  0  0  0
   20.6913    1.9091    6.0939 C   0  0  0  0  0
   20.3474    2.1111    7.5684 C   0  0  0  0  0
   19.4965    0.9687    8.0744 C   0  0  0  0  0
   18.9912    0.1210    7.3506 O   0  0  0  0  0
   19.2931    0.9517    9.4203 N   0  0  0  0  0
   19.4338    1.9251    5.2054 C   0  0  0  0  0
   18.6013    2.8327    5.3229 O   0  0  0  0  0
   19.2313    0.9970    4.2279 N   0  0  0  0  0
   20.0897   -0.0657    3.6767 C   0  0  0  0  0
   21.3824    0.4896    3.0418 C   0  0  0  0  0
   22.0857   -0.4922    2.0751 C   0  0  0  0  0
   21.3224   -0.6648    0.7614 C   0  0  0  0  0
   23.5060   -0.0007    1.7788 C   0  0  0  0  0
   20.3925   -1.2056    4.6715 C   0  0  0  0  0
   21.4980   -1.2826    5.2238 O   0  0  0  0  0
   19.5103   -2.1803    4.9838 N   0  0  0  0  0
   18.0543   -2.4120    4.8427 C   0  0  0  0  0
   17.4128   -2.0417    3.4821 C   0  0  0  0  0
   18.0330   -2.7471    2.2700 C   0  0  0  0  0
   15.8825   -2.2444    3.5316 C   0  0  0  0  0
   15.1562   -1.6934    2.3113 C   0  0  0  0  0
   17.9632   -3.9279    5.1615 C   0  0  0  0  0
   18.1610   -4.8004    4.3097 O   0  0  0  0  0
   17.9755   -4.3845    6.4541 N   0  0  0  0  0
   17.0727   -3.9830    7.5558 C   0  0  0  0  0
   17.4183   -2.6127    8.1935 C   0  0  0  0  0
   16.2634   -1.6458    8.4085 C   0  0  0  0  0
   18.0174   -2.8092    9.4928 O   0  0  0  0  0
   15.6235   -4.2123    7.0782 C   0  0  0  0  0
   15.0291   -3.3505    6.4233 O   0  0  0  0  0
   14.9971   -5.4195    7.1919 N   0  0  0  0  0
   15.3558   -6.7088    7.8129 C   0  0  0  0  0
   16.6922   -7.2816    7.3240 C   0  0  0  0  0
   16.7528   -8.8102    7.4112 C   0  0  0  0  0
   18.0560   -9.3473    6.8167 C   0  0  0  0  0
   18.0443  -10.7993    6.8354 N   0  0  0  0  0
   19.0654  -11.5465    6.3600 C   0  0  0  0  0
   20.2651  -11.1899    6.0948 N   0  0  0  0  0
   18.6988  -12.8281    6.1750 N   0  0  0  0  0
   15.2689   -6.5609    9.3432 C   0  0  0  0  0
   16.1293   -5.9400    9.9746 O   0  0  0  0  0
   14.2014   -7.0133   10.0566 N   0  0  0  0  0
   13.0795   -7.8988    9.7108 C   0  0  0  0  0
   12.1456   -7.3088    8.6488 C   0  0  0  0  0
   10.8217   -8.0723    8.5555 C   0  0  0  0  0
    9.9439   -7.5073    7.4602 C   0  0  0  0  0
   10.1676   -6.4615    6.8637 O   0  0  0  0  0
    8.8348   -8.2507    7.1874 N   0  0  0  0  0
   13.6534   -9.2849    9.3601 C   0  0  0  0  0
   13.7185   -9.6734    8.1899 O   0  0  0  0  0
   14.2236  -10.0925   10.3031 N   0  0  0  0  0
   13.9271  -10.2559   11.7382 C   0  0  0  0  0
   14.0828   -9.0012   12.6075 C   0  0  0  0  0
   14.2570   -9.3564   14.0893 C   0  0  0  0  0
   14.3356   -8.1088   14.9698 C   0  0  0  0  0
   14.5641   -8.4815   16.3541 N   0  0  0  0  0
   15.7531   -8.8988   16.8416 C   0  0  0  0  0
   16.9240   -8.7356   16.3519 N   0  0  0  0  0
   15.6113   -9.5551   18.0084 N   0  0  0  0  0
   12.5167  -10.8689   11.8126 C   0  0  0  0  0
   11.5160  -10.1605   11.6509 O   0  0  0  0  0
   12.3128  -12.2135   11.8977 N   0  0  0  0  0
   13.2110  -13.3397   12.2122 C   0  0  0  0  0
   14.3882  -13.5428   11.2477 C   0  0  0  0  0
   15.0279  -14.9048   11.4140 C   0  0  0  0  0
   14.5572  -16.0095   10.6920 C   0  0  0  0  0
   15.1338  -17.2675   10.8768 C   0  0  0  0  0
   16.1768  -17.4251   11.7817 C   0  0  0  0  0
   16.6583  -16.3426   12.5078 C   0  0  0  0  0
   16.0837  -15.0837   12.3225 C   0  0  0  0  0
   16.7062  -18.6723   11.9304 O   0  0  0  0  0
   13.6481  -13.2063   13.6785 C   0  0  0  0  0
   14.6208  -12.5497   14.0351 O   0  0  0  0  0
   12.7906  -13.7278   14.6058 N   0  0  0  0  0
   19.7742    5.2554    6.0078 N   0  0  0  0  0
   18.9814    6.1601    5.3701 C   0  0  0  0  0
   17.7812    5.8782    5.2498 O   0  0  0  0  0
   19.5235    7.4380    4.6981 C   0  0  0  0  0
   20.2415    8.4312    5.6262 C   0  0  0  0  0
   20.3733    9.7938    4.9732 C   0  0  0  0  0
   19.3127   10.7110    5.0262 C   0  0  0  0  0
   19.4043   11.9402    4.3687 C   0  0  0  0  0
   20.5542   12.2473    3.6497 C   0  0  0  0  0
   21.6169   11.3547    3.5912 C   0  0  0  0  0
   21.5296   10.1300    4.2540 C   0  0  0  0  0
   20.6720   13.4188    2.9630 O   0  0  0  0  0
   20.2930    7.0635    3.5056 N   0  0  0  0  0
   19.8702    6.7188    2.2548 C   0  0  0  0  0
   20.7460    6.5685    1.3952 O   0  0  0  0  0
   18.4061    6.3338    1.9186 C   0  0  0  0  0
   18.2943    4.8114    2.1601 C   0  0  0  0  0
   16.8940    4.3102    2.2010 C   0  0  0  0  0
   15.9467    4.0944    1.2255 C   0  0  0  0  0
   14.7730    3.6535    1.7788 N   0  0  0  0  0
   14.9965    3.5935    3.0722 C   0  0  0  0  0
   16.2712    3.9729    3.3802 N   0  0  0  0  0
   17.3852    7.1052    2.6307 N   0  0  0  0  0
   16.8595    8.3368    2.3918 C   0  0  0  0  0
   16.2658    8.8876    3.3264 O   0  0  0  0  0
   17.0811    9.1102    1.0747 C   0  0  0  0  0
   18.4744    9.7613    1.0698 C   0  0  0  0  0
   18.7627   10.5124   -0.2285 C   0  0  0  0  0
   20.0054   11.3961   -0.1402 C   0  0  0  0  0
   20.4118   11.7841   -1.4803 N   0  0  0  0  0
   21.3356   12.7254   -1.7520 C   0  0  0  0  0
   22.0903   13.3675   -0.9442 N   0  0  0  0  0
   21.4116   12.9747   -3.0751 N   0  0  0  0  0
   16.8479    8.3068   -0.1231 N   0  0  0  0  0
   15.7166    8.0806   -0.8404 C   0  0  0  0  0
   15.8433    7.4061   -1.8689 O   0  0  0  0  0
   14.3126    8.5835   -0.4245 C   0  0  0  0  0
   13.8091    7.8548    0.8296 C   0  0  0  0  0
   12.2932    7.9997    1.0817 C   0  0  0  0  0
   11.4579    7.2384    0.0513 C   0  0  0  0  0
   11.9534    7.4949    2.4873 C   0  0  0  0  0
   14.2497   10.0366   -0.2596 N   0  0  0  0  0
   14.1274   11.0065   -1.2147 C   0  0  0  0  0
   14.0797   12.1798   -0.8445 O   0  0  0  0  0
   14.0290   10.5993   -2.7018 C   0  0  0  0  0
   12.5920   10.1911   -3.0435 C   0  0  0  0  0
   11.9500   11.5017   -3.4865 C   0  0  0  0  0
   13.0710   12.1992   -4.2363 C   0  0  0  0  0
   14.2938   11.7197   -3.6169 N   0  0  0  0  0
   15.5030   12.2924   -3.9381 C   0  0  0  0  0
   15.5877   13.1997   -4.7762 O   0  0  0  0  0
   16.7843   11.7447   -3.2723 C   0  0  0  0  0
   17.3058   10.5362   -4.0376 C   0  0  0  0  0
   17.7786   12.8190   -3.3270 N   0  0  0  0  0
   17.8657   13.7668   -2.3166 C   0  0  0  0  0
   17.4091   13.5832   -1.1934 O   0  0  0  0  0
   18.4435   15.1160   -2.7940 C   0  0  0  0  0
   19.1216   15.8705   -1.6485 C   0  0  0  0  0
   19.2349   17.2549   -1.9961 O   0  0  0  0  0
   19.3550   14.8805   -3.9249 N   0  0  0  0  0
   19.6392   15.5679   -5.0554 C   0  0  0  0  0
   20.5361   15.0980   -5.7675 O   0  0  0  0  0
   18.9942   16.9182   -5.4393 C   0  0  0  0  0
   17.4597   16.9195   -5.4107 C   0  0  0  0  0
   16.8707   17.8996   -6.4040 C   0  0  0  0  0
   16.8160   17.5808   -7.7688 C   0  0  0  0  0
   16.3037   18.4983   -8.6866 C   0  0  0  0  0
   15.8396   19.7306   -8.2436 C   0  0  0  0  0
   15.8760   20.0625   -6.8939 C   0  0  0  0  0
   16.3924   19.1462   -5.9750 C   0  0  0  0  0
   15.3521   20.5977   -9.1756 O   0  0  0  0  0
   19.5882   17.9534   -4.5907 N   0  0  0  0  0
   20.7886   18.5868   -4.6885 C   0  0  0  0  0
   21.2758   18.9744   -3.6152 O   0  0  0  0  0
   21.4554   19.0520   -6.0169 C   0  0  0  0  0
   21.4147   18.0908   -7.2161 C   0  0  0  0  0
   22.5556   18.2929   -8.1897 C   0  0  0  0  0
   23.7986   17.6829   -7.9589 C   0  0  0  0  0
   24.8597   17.8875   -8.8407 C   0  0  0  0  0
   24.6810   18.6978   -9.9540 C   0  0  0  0  0
   23.4534   19.3002  -10.2063 C   0  0  0  0  0
   22.3915   19.1003   -9.3217 C   0  0  0  0  0
   25.7487   18.8918  -10.7798 O   0  0  0  0  0
   21.0208   20.4493   -6.3060 N   0  0  0  0  0
   19.6170   20.6228   -6.6652 C   0  0  0  0  0
   21.6184   21.5930   -5.7537 C   0  0  0  0  0
   20.9497   22.6090   -5.5192 O   0  0  0  0  0
   23.1485   21.6612   -5.4622 C   0  0  0  0  0
   23.5778   20.9074   -4.1958 C   0  0  0  0  0
   24.9396   21.3701   -3.6862 C   0  0  0  0  0
   25.3170   20.7399   -2.3461 C   0  0  0  0  0
   26.6644   21.1495   -1.9854 N   0  0  0  0  0
   26.9790   22.4150   -1.6354 C   0  0  0  0  0
   26.3243   23.1806   -0.8435 N   0  0  0  0  0
   28.1092   22.8499   -2.2227 N   0  0  0  0  0
   23.8939   21.2928   -6.6725 N   0  0  0  0  0
   24.1537   22.2295   -7.6466 C   0  0  0  0  0
   23.6559   22.0827   -8.7642 O   0  0  0  0  0
   25.0502   23.4525   -7.3515 C   0  0  0  0  0
   24.1934   24.7058   -7.2038 C   0  0  0  0  0
   25.9508   23.3067   -6.2110 N   0  0  0  0  0
   27.1744   22.7209   -6.1173 C   0  0  0  0  0
   27.7400   22.7577   -5.0149 O   0  0  0  0  0
   27.8865   22.0450   -7.3087 C   0  0  0  0  0
   27.1120   20.9060   -7.9512 C   0  0  0  0  0
   28.3270   23.0162   -8.3050 N   0  0  0  0  0
   29.4974   23.7222   -8.3323 C   0  0  0  0  0
   29.6165   24.6080   -9.1831 O   0  0  0  0  0
   30.6372   23.3429   -7.3548 C   0  0  0  0  0
   31.2877   22.0180   -7.7621 C   0  0  0  0  0
   32.3345   22.4494   -8.7799 C   0  0  0  0  0
   32.8491   23.7603   -8.2079 C   0  0  0  0  0
   31.7393   24.3102   -7.4407 N   0  0  0  0  0
   31.6171   25.5475   -6.8469 C   0  0  0  0  0
   30.5677   25.8585   -6.2677 O   0  0  0  0  0
   32.7133   26.6324   -7.0666 C   0  0  0  0  0
   32.6252   27.6772   -5.9472 C   0  0  0  0  0
   31.8784   28.8787   -6.4582 C   0  0  0  0  0
   32.4641   29.8777   -6.8649 O   0  0  0  0  0
   30.5256   28.7498   -6.4935 N   0  0  0  0  0
   34.0799   26.1178   -7.1422 N   0  0  0  0  0
   35.1061   26.4088   -7.9900 C   0  0  0  0  0
   36.1506   25.7735   -7.8167 O   0  0  0  0  0
   35.0366   27.5383   -9.0414 C   0  0  0  0  0
   33.8912   27.4299  -10.0415 C   0  0  0  0  0
   34.3693   27.5513  -11.4587 C   0  0  0  0  0
   33.9256   28.3136  -12.3011 O   0  0  0  0  0
   35.2932   26.6278  -11.7830 O   0  0  0  0  0
   35.0813   28.8250   -8.3460 N   0  0  0  0  0
   35.7208   29.9131   -8.9001 C   0  0  0  0  0
   36.0565   29.9502  -10.0809 O   0  0  0  0  0
   35.9999   31.0614   -7.9068 C   0  0  0  0  0
   36.9575   30.5822   -6.8040 C   0  0  0  0  0
   38.3295   30.8259   -7.4158 C   0  0  0  0  0
   38.1355   32.1442   -8.1423 C   0  0  0  0  0
   36.7321   32.1694   -8.5335 N   0  0  0  0  0
   36.2856   33.1808   -9.3464 C   0  0  0  0  0
   37.0808   34.0866   -9.6625 O   0  0  0  0  0
   34.8506   33.1867   -9.9826 C   0  0  0  0  0
   33.6622   32.8715   -9.0657 C   0  0  0  0  0
   32.2812   33.2468   -9.6211 C   0  0  0  0  0
   31.1862   32.9296   -8.5961 C   0  0  0  0  0
   29.8297   33.4718   -9.0422 C   0  0  0  0  0
   28.7995   33.1840   -8.0506 N   0  0  0  0  0
   34.7734   34.5049  -10.6608 N   0  0  0  0  0
   34.5845   35.6631   -9.9349 C   0  0  0  0  0
   34.1403   35.6688   -8.7857 O   0  0  0  0  0
   35.0891   36.9737  -10.5793 C   0  0  0  0  0
   34.6012   37.1427  -12.0204 C   0  0  0  0  0
   35.1430   38.3431  -12.5735 O   0  0  0  0  0
   34.5941   38.0945   -9.7498 N   0  0  0  0  0
   35.0327   38.5145   -8.5331 C   0  0  0  0  0
   34.2199   39.1689   -7.8649 O   0  0  0  0  0
   36.4990   38.3557   -8.0322 C   0  0  0  0  0
   37.1647   36.9887   -8.0879 C   0  0  0  0  0
   38.1884   36.9331   -6.9684 C   0  0  0  0  0
   38.0180   38.1881   -6.1353 C   0  0  0  0  0
   36.6869   38.8225   -6.5223 N   0  0  0  0  0
   36.7612   40.3214   -6.4300 C   0  0  0  0  0
   35.6114   38.1993   -5.7062 C   0  0  0  0  0
   35.6588   36.9723   -5.7016 O   0  0  0  0  0
   34.5985   38.9219   -4.7850 C   0  0  0  0  0
   35.1699   38.9197   -3.3564 C   0  0  0  0  0
   34.1179   39.1456   -2.2980 C   0  0  0  0  0
   33.3307   38.0753   -1.8482 C   0  0  0  0  0
   32.3495   38.2810   -0.8781 C   0  0  0  0  0
   32.1505   39.5532   -0.3575 C   0  0  0  0  0
   32.9175   40.6284   -0.7920 C   0  0  0  0  0
   33.9013   40.4237   -1.7627 C   0  0  0  0  0
   31.1821   39.7042    0.5889 O   0  0  0  0  0
   34.2264   40.2816   -5.2390 N   0  0  0  0  0
   24.7334    6.1115    9.1856 H   0  0  0  0  0
   23.6359    4.7859    9.6045 H   0  0  0  0  0
   23.1630    6.4736    9.9007 H   0  0  0  0  0
   23.7608    5.3230    7.1390 H   0  0  0  0  0
   23.0985    6.9194    7.4693 H   0  0  0  0  0
   21.7034    4.2778    8.0903 H   0  0  0  0  0
   20.6449    7.1341    8.3006 H   0  0  0  0  0
   20.9741    6.0257    9.6386 H   0  0  0  0  0
   19.6696    5.6676    8.5289 H   0  0  0  0  0
   21.5906    6.1619    5.7341 H   0  0  0  0  0
   22.4078    2.3342    4.9696 H   0  0  0  0  0
   21.1508    0.9246    6.0220 H   0  0  0  0  0
   19.7905    3.0346    7.7434 H   0  0  0  0  0
   21.2673    2.1324    8.1634 H   0  0  0  0  0
   19.7189    1.6025   10.0650 H   0  0  0  0  0
   18.7450    0.1881    9.8042 H   0  0  0  0  0
   18.3718    1.1692    3.7192 H   0  0  0  0  0
   19.5082   -0.4917    2.8609 H   0  0  0  0  0
   22.0954    0.7353    3.8315 H   0  0  0  0  0
   21.1643    1.4261    2.5123 H   0  0  0  0  0
   22.1722   -1.4757    2.5526 H   0  0  0  0  0
   21.1864    0.2951    0.2523 H   0  0  0  0  0
   20.3360   -1.1064    0.9225 H   0  0  0  0  0
   21.8675   -1.3312    0.0837 H   0  0  0  0  0
   23.4945    0.9824    1.2964 H   0  0  0  0  0
   24.0297   -0.6989    1.1169 H   0  0  0  0  0
   24.0904    0.0802    2.7017 H   0  0  0  0  0
   19.9442   -2.7834    5.6759 H   0  0  0  0  0
   17.5666   -1.8265    5.6226 H   0  0  0  0  0
   17.5555   -0.9672    3.3411 H   0  0  0  0  0
   19.1209   -2.8235    2.3521 H   0  0  0  0  0
   17.8177   -2.1872    1.3533 H   0  0  0  0  0
   17.6293   -3.7548    2.1320 H   0  0  0  0  0
   15.4850   -1.7294    4.4143 H   0  0  0  0  0
   15.6398   -3.3077    3.6404 H   0  0  0  0  0
   15.3952   -0.6363    2.1564 H   0  0  0  0  0
   14.0736   -1.7776    2.4506 H   0  0  0  0  0
   15.4178   -2.2459    1.4044 H   0  0  0  0  0
   18.1204   -5.3828    6.4064 H   0  0  0  0  0
   17.2806   -4.7271    8.3239 H   0  0  0  0  0
   18.1972   -2.1198    7.6146 H   0  0  0  0  0
   15.4586   -2.1121    8.9869 H   0  0  0  0  0
   15.8617   -1.2755    7.4617 H   0  0  0  0  0
   16.5940   -0.7775    8.9894 H   0  0  0  0  0
   18.8004   -3.3746    9.3688 H   0  0  0  0  0
   14.0653   -5.3764    6.7897 H   0  0  0  0  0
   14.5858   -7.3921    7.4653 H   0  0  0  0  0
   17.5322   -6.8729    7.8943 H   0  0  0  0  0
   16.8300   -7.0085    6.2711 H   0  0  0  0  0
   15.9083   -9.2400    6.8597 H   0  0  0  0  0
   16.6583   -9.1335    8.4545 H   0  0  0  0  0
   18.9048   -8.9708    7.3987 H   0  0  0  0  0
   18.1685   -8.9969    5.7840 H   0  0  0  0  0
   17.1533  -11.1865    6.5376 H   0  0  0  0  0
   20.3831  -10.1972    6.2955 H   0  0  0  0  0
   18.2527  -13.2255    6.9914 H   0  0  0  0  0
   19.5214  -13.3718    5.9284 H   0  0  0  0  0
   14.2766   -6.7428   11.0291 H   0  0  0  0  0
   12.4859   -7.9938   10.6212 H   0  0  0  0  0
   12.6022   -7.3039    7.6564 H   0  0  0  0  0
   11.9390   -6.2584    8.8933 H   0  0  0  0  0
   10.2756   -8.0015    9.5030 H   0  0  0  0  0
   11.0036   -9.1308    8.3400 H   0  0  0  0  0
    8.6767   -9.1679    7.5796 H   0  0  0  0  0
    8.2350   -7.9348    6.4357 H   0  0  0  0  0
   14.5763  -10.9300    9.8549 H   0  0  0  0  0
   14.6668  -10.9711   12.0894 H   0  0  0  0  0
   13.2172   -8.3394   12.5208 H   0  0  0  0  0
   14.9694   -8.4429   12.2863 H   0  0  0  0  0
   15.1710   -9.9496   14.2105 H   0  0  0  0  0
   13.4219   -9.9830   14.4260 H   0  0  0  0  0
   13.3875   -7.5617   14.9131 H   0  0  0  0  0
   15.1132   -7.4230   14.6165 H   0  0  0  0  0
   13.7954   -9.0165   16.7448 H   0  0  0  0  0
   16.8632   -8.2027   15.4851 H   0  0  0  0  0
   15.0751   -9.0282   18.6856 H   0  0  0  0  0
   16.5359   -9.7540   18.3813 H   0  0  0  0  0
   11.3219  -12.4256   11.9262 H   0  0  0  0  0
   12.5640  -14.2250   12.1440 H   0  0  0  0  0
   15.1731  -12.7927   11.3759 H   0  0  0  0  0
   14.0425  -13.4362   10.2114 H   0  0  0  0  0
   13.7441  -15.9032    9.9776 H   0  0  0  0  0
   14.7733  -18.1245   10.3141 H   0  0  0  0  0
   17.4718  -16.4554   13.2181 H   0  0  0  0  0
   16.4678  -14.2419   12.8985 H   0  0  0  0  0
   17.4459  -18.6241   12.5586 H   0  0  0  0  0
   12.0928  -14.4212   14.3724 H   0  0  0  0  0
   13.0835  -13.6717   15.5745 H   0  0  0  0  0
   19.2565    4.3983    6.1949 H   0  0  0  0  0
   18.6433    7.9799    4.3573 H   0  0  0  0  0
   21.2420    8.1011    5.9147 H   0  0  0  0  0
   19.6790    8.5399    6.5619 H   0  0  0  0  0
   18.3978   10.4681    5.5647 H   0  0  0  0  0
   18.5663   12.6291    4.4143 H   0  0  0  0  0
   22.5112   11.6096    3.0288 H   0  0  0  0  0
   22.3687    9.4408    4.1926 H   0  0  0  0  0
   19.8987   13.9739    3.1613 H   0  0  0  0  0
   21.2988    7.1897    3.5391 H   0  0  0  0  0
   18.2746    6.5221    0.8525 H   0  0  0  0  0
   18.8043    4.5310    3.0890 H   0  0  0  0  0
   18.8410    4.2837    1.3671 H   0  0  0  0  0
   16.0399    4.2435    0.1568 H   0  0  0  0  0
   14.2841    3.2894    3.8274 H   0  0  0  0  0
   16.6782    4.0249    4.3104 H   0  0  0  0  0
   17.1091    6.7374    3.5408 H   0  0  0  0  0
   16.3434    9.9155    1.0729 H   0  0  0  0  0
   19.2587    9.0156    1.2152 H   0  0  0  0  0
   18.5404   10.4499    1.9190 H   0  0  0  0  0
   17.9020   11.1379   -0.4794 H   0  0  0  0  0
   18.8829    9.7918   -1.0469 H   0  0  0  0  0
   20.8278   10.8550    0.3400 H   0  0  0  0  0
   19.7770   12.2827    0.4611 H   0  0  0  0  0
   19.6527   11.7726   -2.1555 H   0  0  0  0  0
   21.9101   13.0564    0.0143 H   0  0  0  0  0
   21.5079   12.1147   -3.6064 H   0  0  0  0  0
   22.2308   13.5571   -3.2465 H   0  0  0  0  0
   17.6530    7.8703   -0.5563 H   0  0  0  0  0
   13.6654    8.3277   -1.2682 H   0  0  0  0  0
   14.3311    8.2493    1.7050 H   0  0  0  0  0
   14.0672    6.7898    0.7688 H   0  0  0  0  0
   12.0176    9.0605    1.0349 H   0  0  0  0  0
   11.7227    6.1758    0.0332 H   0  0  0  0  0
   11.5957    7.6395   -0.9562 H   0  0  0  0  0
   10.3906    7.3155    0.2860 H   0  0  0  0  0
   12.2090    6.4360    2.6023 H   0  0  0  0  0
   10.8845    7.6116    2.6953 H   0  0  0  0  0
   12.5024    8.0612    3.2473 H   0  0  0  0  0
   14.2827   10.4162    0.6811 H   0  0  0  0  0
   14.7360    9.7937   -2.9015 H   0  0  0  0  0
   12.0430    9.7380   -2.2141 H   0  0  0  0  0
   12.5961    9.4847   -3.8825 H   0  0  0  0  0
   11.0597   11.3538   -4.1037 H   0  0  0  0  0
   11.6612   12.0910   -2.6079 H   0  0  0  0  0
   13.0901   11.9023   -5.2910 H   0  0  0  0  0
   13.0045   13.2901   -4.1780 H   0  0  0  0  0
   16.5842   11.4913   -2.2311 H   0  0  0  0  0
   16.5897    9.7109   -4.0413 H   0  0  0  0  0
   18.2397   10.1723   -3.5962 H   0  0  0  0  0
   17.5133   10.7905   -5.0837 H   0  0  0  0  0
   17.9175   13.2046   -4.2591 H   0  0  0  0  0
   17.5914   15.6917   -3.1501 H   0  0  0  0  0
   20.1250   15.4795   -1.4549 H   0  0  0  0  0
   18.5411   15.8156   -0.7227 H   0  0  0  0  0
   19.8704   17.6485   -1.3657 H   0  0  0  0  0
   20.0148   14.1133   -3.7744 H   0  0  0  0  0
   19.2985   17.0932   -6.4683 H   0  0  0  0  0
   17.0836   17.1856   -4.4173 H   0  0  0  0  0
   17.0659   15.9211   -5.6401 H   0  0  0  0  0
   17.1692   16.6164   -8.1279 H   0  0  0  0  0
   16.2619   18.2507   -9.7436 H   0  0  0  0  0
   15.5144   21.0227   -6.5392 H   0  0  0  0  0
   16.4263   19.4155   -4.9208 H   0  0  0  0  0
   15.0246   21.3907   -8.7200 H   0  0  0  0  0
   19.3653   17.8295   -3.5985 H   0  0  0  0  0
   22.5107   19.0915   -5.7538 H   0  0  0  0  0
   20.4776   18.1583   -7.7757 H   0  0  0  0  0
   21.4922   17.0594   -6.8624 H   0  0  0  0  0
   23.9466   17.0379   -7.0950 H   0  0  0  0  0
   25.8204   17.4135   -8.6623 H   0  0  0  0  0
   23.3079   19.9496  -11.0641 H   0  0  0  0  0
   21.4422   19.5958   -9.5164 H   0  0  0  0  0
   25.4536   19.4386  -11.5274 H   0  0  0  0  0
   19.3000   19.8610   -7.3775 H   0  0  0  0  0
   19.4626   21.6003   -7.1340 H   0  0  0  0  0
   19.0084   20.5732   -5.7583 H   0  0  0  0  0
   23.3383   22.7247   -5.2805 H   0  0  0  0  0
   23.6497   19.8308   -4.3584 H   0  0  0  0  0
   22.8310   21.0740   -3.4105 H   0  0  0  0  0
   24.9428   22.4612   -3.5835 H   0  0  0  0  0
   25.7007   21.1027   -4.4263 H   0  0  0  0  0
   25.2951   19.6474   -2.4258 H   0  0  0  0  0
   24.6000   21.0201   -1.5669 H   0  0  0  0  0
   27.3776   20.7304   -2.5718 H   0  0  0  0  0
   25.5390   22.6450   -0.4672 H   0  0  0  0  0
   28.0804   22.7613   -3.2417 H   0  0  0  0  0
   28.2420   23.8288   -1.9908 H   0  0  0  0  0
   23.4509   20.5097   -7.1415 H   0  0  0  0  0
   25.6771   23.5774   -8.2389 H   0  0  0  0  0
   23.5674   24.6711   -6.3071 H   0  0  0  0  0
   23.5299   24.8330   -8.0656 H   0  0  0  0  0
   24.8259   25.5970   -7.1266 H   0  0  0  0  0
   25.6346   23.6890   -5.3272 H   0  0  0  0  0
   28.7758   21.5860   -6.8644 H   0  0  0  0  0
   26.3714   21.2637   -8.6698 H   0  0  0  0  0
   26.6107   20.2891   -7.1992 H   0  0  0  0  0
   27.7943   20.2598   -8.5157 H   0  0  0  0  0
   27.6517   23.3644   -8.9746 H   0  0  0  0  0
   30.2439   23.3225   -6.3334 H   0  0  0  0  0
   30.6002   21.2820   -8.1868 H   0  0  0  0  0
   31.7838   21.5660   -6.8944 H   0  0  0  0  0
   33.1290   21.7099   -8.9140 H   0  0  0  0  0
   31.8621   22.6217   -9.7542 H   0  0  0  0  0
   33.6780   23.5682   -7.5197 H   0  0  0  0  0
   33.1639   24.4480   -8.9935 H   0  0  0  0  0
   32.4643   27.0871   -8.0256 H   0  0  0  0  0
   33.6171   28.0256   -5.6337 H   0  0  0  0  0
   32.1385   27.3020   -5.0396 H   0  0  0  0  0
   30.0623   27.8655   -6.2787 H   0  0  0  0  0
   29.9599   29.4930   -6.8803 H   0  0  0  0  0
   34.3341   25.4042   -6.4659 H   0  0  0  0  0
   35.9931   27.4632   -9.5766 H   0  0  0  0  0
   33.1472   28.2187   -9.8781 H   0  0  0  0  0
   33.3749   26.4672   -9.9820 H   0  0  0  0  0
   35.4968   26.8140  -12.7250 H   0  0  0  0  0
   34.6554   28.9192   -7.4308 H   0  0  0  0  0
   35.0673   31.4081   -7.4622 H   0  0  0  0  0
   36.8239   29.5398   -6.5023 H   0  0  0  0  0
   36.8403   31.2117   -5.9130 H   0  0  0  0  0
   39.1306   30.8685   -6.6732 H   0  0  0  0  0
   38.5688   30.0300   -8.1317 H   0  0  0  0  0
   38.3179   32.9964   -7.4777 H   0  0  0  0  0
   38.7847   32.2353   -9.0195 H   0  0  0  0  0
   34.8708   32.4527  -10.7974 H   0  0  0  0  0
   33.8102   33.3372   -8.0842 H   0  0  0  0  0
   33.6335   31.7919   -8.8916 H   0  0  0  0  0
   32.0928   32.6940  -10.5491 H   0  0  0  0  0
   32.2319   34.3113   -9.8676 H   0  0  0  0  0
   31.4532   33.3715   -7.6275 H   0  0  0  0  0
   31.1274   31.8441   -8.4503 H   0  0  0  0  0
   29.5387   33.0303  -10.0010 H   0  0  0  0  0
   29.8852   34.5566   -9.1847 H   0  0  0  0  0
   28.7207   32.1767   -7.9228 H   0  0  0  0  0
   29.0801   33.5601   -7.1453 H   0  0  0  0  0
   35.4341   34.5665  -11.4279 H   0  0  0  0  0
   36.1796   36.9903  -10.5577 H   0  0  0  0  0
   33.5085   37.1917  -12.0806 H   0  0  0  0  0
   34.9349   36.3176  -12.6560 H   0  0  0  0  0
   34.7030   39.0922  -12.1333 H   0  0  0  0  0
   33.5879   38.2300   -9.8060 H   0  0  0  0  0
   37.1039   39.0608   -8.6186 H   0  0  0  0  0
   37.6656   36.8299   -9.0477 H   0  0  0  0  0
   36.4449   36.1778   -7.9635 H   0  0  0  0  0
   39.2085   36.8708   -7.3633 H   0  0  0  0  0
   38.0392   36.0347   -6.3583 H   0  0  0  0  0
   38.8138   38.8997   -6.3846 H   0  0  0  0  0
   38.0406   38.0115   -5.0539 H   0  0  0  0  0
   37.6563   40.6554   -6.9668 H   0  0  0  0  0
   36.8566   40.6119   -5.3805 H   0  0  0  0  0
   35.9024   40.7775   -6.9235 H   0  0  0  0  0
   33.6835   38.3156   -4.8238 H   0  0  0  0  0
   35.9632   39.6729   -3.2596 H   0  0  0  0  0
   35.6667   37.9630   -3.1442 H   0  0  0  0  0
   33.4749   37.0708   -2.2407 H   0  0  0  0  0
   31.7430   37.4510   -0.5250 H   0  0  0  0  0
   32.7657   41.6246   -0.3877 H   0  0  0  0  0
   34.4976   41.2711   -2.0944 H   0  0  0  0  0
   31.1692   40.6288    0.8861 H   0  0  0  0  0
   33.7567   40.1794   -6.1533 H   0  0  0  0  0
   33.4831   40.6276   -4.6220 H   0  0  0  0  0
  1  2  1  0  0  0
  1254  1  0  0  0
  1255  1  0  0  0
  1256  1  0  0  0
  2  3  1  0  0  0
  2257  1  0  0  0
  2258  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3259  1  0  0  0
  4260  1  0  0  0
  4261  1  0  0  0
  4262  1  0  0  0
  5 83  1  0  0  0
  5  6  1  0  0  0
  5263  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8264  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9265  1  0  0  0
 10 11  1  0  0  0
 10266  1  0  0  0
 10267  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13268  1  0  0  0
 13269  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16270  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 17271  1  0  0  0
 18 19  1  0  0  0
 18272  1  0  0  0
 18273  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 19274  1  0  0  0
 20275  1  0  0  0
 20276  1  0  0  0
 20277  1  0  0  0
 21278  1  0  0  0
 21279  1  0  0  0
 21280  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24281  1  0  0  0
 25 30  1  0  0  0
 25 26  1  0  0  0
 25282  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
 26283  1  0  0  0
 27284  1  0  0  0
 27285  1  0  0  0
 27286  1  0  0  0
 28 29  1  0  0  0
 28287  1  0  0  0
 28288  1  0  0  0
 29289  1  0  0  0
 29290  1  0  0  0
 29291  1  0  0  0
 30 32  1  0  0  0
 30 31  2  0  0  0
 32 33  1  0  0  0
 32292  1  0  0  0
 33 37  1  0  0  0
 33 34  1  0  0  0
 33293  1  0  0  0
 34 36  1  0  0  0
 34 35  1  0  0  0
 34294  1  0  0  0
 35295  1  0  0  0
 35296  1  0  0  0
 35297  1  0  0  0
 36298  1  0  0  0
 37 39  1  0  0  0
 37 38  2  0  0  0
 39 40  1  0  0  0
 39299  1  0  0  0
 40 48  1  0  0  0
 40 41  1  0  0  0
 40300  1  0  0  0
 41 42  1  0  0  0
 41301  1  0  0  0
 41302  1  0  0  0
 42 43  1  0  0  0
 42303  1  0  0  0
 42304  1  0  0  0
 43 44  1  0  0  0
 43305  1  0  0  0
 43306  1  0  0  0
 44 45  1  0  0  0
 44307  1  0  0  0
 45 47  1  0  0  0
 45 46  2  0  0  0
 46308  1  0  0  0
 47309  1  0  0  0
 47310  1  0  0  0
 48 50  1  0  0  0
 48 49  2  0  0  0
 50 51  1  0  0  0
 50311  1  0  0  0
 51 57  1  0  0  0
 51 52  1  0  0  0
 51312  1  0  0  0
 52 53  1  0  0  0
 52313  1  0  0  0
 52314  1  0  0  0
 53 54  1  0  0  0
 53315  1  0  0  0
 53316  1  0  0  0
 54 56  1  0  0  0
 54 55  2  0  0  0
 56317  1  0  0  0
 56318  1  0  0  0
 57 59  1  0  0  0
 57 58  2  0  0  0
 59 60  1  0  0  0
 59319  1  0  0  0
 60 68  1  0  0  0
 60 61  1  0  0  0
 60320  1  0  0  0
 61 62  1  0  0  0
 61321  1  0  0  0
 61322  1  0  0  0
 62 63  1  0  0  0
 62323  1  0  0  0
 62324  1  0  0  0
 63 64  1  0  0  0
 63325  1  0  0  0
 63326  1  0  0  0
 64 65  1  0  0  0
 64327  1  0  0  0
 65 67  1  0  0  0
 65 66  2  0  0  0
 66328  1  0  0  0
 67329  1  0  0  0
 67330  1  0  0  0
 68 70  1  0  0  0
 68 69  2  0  0  0
 70 71  1  0  0  0
 70331  1  0  0  0
 71 80  1  0  0  0
 71 72  1  0  0  0
 71332  1  0  0  0
 72 73  1  0  0  0
 72333  1  0  0  0
 72334  1  0  0  0
 73 74  2  0  0  0
 73 78  1  0  0  0
 74 75  1  0  0  0
 74335  1  0  0  0
 75 76  2  0  0  0
 75336  1  0  0  0
 76 77  1  0  0  0
 76 79  1  0  0  0
 77 78  2  0  0  0
 77337  1  0  0  0
 78338  1  0  0  0
 79339  1  0  0  0
 80 82  1  0  0  0
 80 81  2  0  0  0
 82340  1  0  0  0
 82341  1  0  0  0
 83 84  1  0  0  0
 83342  1  0  0  0
 84 86  1  0  0  0
 84 85  2  0  0  0
 86 95  1  0  0  0
 86 87  1  0  0  0
 86343  1  0  0  0
 87 88  1  0  0  0
 87344  1  0  0  0
 87345  1  0  0  0
 88 89  2  0  0  0
 88 93  1  0  0  0
 89 90  1  0  0  0
 89346  1  0  0  0
 90 91  2  0  0  0
 90347  1  0  0  0
 91 92  1  0  0  0
 91 94  1  0  0  0
 92 93  2  0  0  0
 92348  1  0  0  0
 93349  1  0  0  0
 94350  1  0  0  0
 95 96  1  0  0  0
 95351  1  0  0  0
 96 98  1  0  0  0
 96 97  2  0  0  0
 98105  1  0  0  0
 98 99  1  0  0  0
 98352  1  0  0  0
 99100  1  0  0  0
 99353  1  0  0  0
 99354  1  0  0  0
100101  2  0  0  0
100104  1  0  0  0
101102  1  0  0  0
101355  1  0  0  0
102103  2  0  0  0
103104  1  0  0  0
103356  1  0  0  0
104357  1  0  0  0
105106  1  0  0  0
105358  1  0  0  0
106108  1  0  0  0
106107  2  0  0  0
108116  1  0  0  0
108109  1  0  0  0
108359  1  0  0  0
109110  1  0  0  0
109360  1  0  0  0
109361  1  0  0  0
110111  1  0  0  0
110362  1  0  0  0
110363  1  0  0  0
111112  1  0  0  0
111364  1  0  0  0
111365  1  0  0  0
112113  1  0  0  0
112366  1  0  0  0
113115  1  0  0  0
113114  2  0  0  0
114367  1  0  0  0
115368  1  0  0  0
115369  1  0  0  0
116117  1  0  0  0
116370  1  0  0  0
117119  1  0  0  0
117118  2  0  0  0
119124  1  0  0  0
119120  1  0  0  0
119371  1  0  0  0
120121  1  0  0  0
120372  1  0  0  0
120373  1  0  0  0
121123  1  0  0  0
121122  1  0  0  0
121374  1  0  0  0
122375  1  0  0  0
122376  1  0  0  0
122377  1  0  0  0
123378  1  0  0  0
123379  1  0  0  0
123380  1  0  0  0
124125  1  0  0  0
124381  1  0  0  0
125127  1  0  0  0
125126  2  0  0  0
127131  1  0  0  0
127128  1  0  0  0
127382  1  0  0  0
128129  1  0  0  0
128383  1  0  0  0
128384  1  0  0  0
129130  1  0  0  0
129385  1  0  0  0
129386  1  0  0  0
130131  1  0  0  0
130387  1  0  0  0
130388  1  0  0  0
131132  1  0  0  0
132134  1  0  0  0
132133  2  0  0  0
134136  1  0  0  0
134135  1  0  0  0
134389  1  0  0  0
135390  1  0  0  0
135391  1  0  0  0
135392  1  0  0  0
136137  1  0  0  0
136393  1  0  0  0
137139  1  0  0  0
137138  2  0  0  0
139142  1  0  0  0
139140  1  0  0  0
139394  1  0  0  0
140141  1  0  0  0
140395  1  0  0  0
140396  1  0  0  0
141397  1  0  0  0
142143  1  0  0  0
142398  1  0  0  0
143145  1  0  0  0
143144  2  0  0  0
145154  1  0  0  0
145146  1  0  0  0
145399  1  0  0  0
146147  1  0  0  0
146400  1  0  0  0
146401  1  0  0  0
147148  2  0  0  0
147152  1  0  0  0
148149  1  0  0  0
148402  1  0  0  0
149150  2  0  0  0
149403  1  0  0  0
150151  1  0  0  0
150153  1  0  0  0
151152  2  0  0  0
151404  1  0  0  0
152405  1  0  0  0
153406  1  0  0  0
154155  1  0  0  0
154407  1  0  0  0
155157  1  0  0  0
155156  2  0  0  0
157166  1  0  0  0
157158  1  0  0  0
157408  1  0  0  0
158159  1  0  0  0
158409  1  0  0  0
158410  1  0  0  0
159160  2  0  0  0
159164  1  0  0  0
160161  1  0  0  0
160411  1  0  0  0
161162  2  0  0  0
161412  1  0  0  0
162163  1  0  0  0
162165  1  0  0  0
163164  2  0  0  0
163413  1  0  0  0
164414  1  0  0  0
165415  1  0  0  0
166168  1  0  0  0
166167  1  0  0  0
167416  1  0  0  0
167417  1  0  0  0
167418  1  0  0  0
168170  1  0  0  0
168169  2  0  0  0
170178  1  0  0  0
170171  1  0  0  0
170419  1  0  0  0
171172  1  0  0  0
171420  1  0  0  0
171421  1  0  0  0
172173  1  0  0  0
172422  1  0  0  0
172423  1  0  0  0
173174  1  0  0  0
173424  1  0  0  0
173425  1  0  0  0
174175  1  0  0  0
174426  1  0  0  0
175177  1  0  0  0
175176  2  0  0  0
176427  1  0  0  0
177428  1  0  0  0
177429  1  0  0  0
178179  1  0  0  0
178430  1  0  0  0
179181  1  0  0  0
179180  2  0  0  0
181183  1  0  0  0
181182  1  0  0  0
181431  1  0  0  0
182432  1  0  0  0
182433  1  0  0  0
182434  1  0  0  0
183184  1  0  0  0
183435  1  0  0  0
184186  1  0  0  0
184185  2  0  0  0
186188  1  0  0  0
186187  1  0  0  0
186436  1  0  0  0
187437  1  0  0  0
187438  1  0  0  0
187439  1  0  0  0
188189  1  0  0  0
188440  1  0  0  0
189191  1  0  0  0
189190  2  0  0  0
191195  1  0  0  0
191192  1  0  0  0
191441  1  0  0  0
192193  1  0  0  0
192442  1  0  0  0
192443  1  0  0  0
193194  1  0  0  0
193444  1  0  0  0
193445  1  0  0  0
194195  1  0  0  0
194446  1  0  0  0
194447  1  0  0  0
195196  1  0  0  0
196198  1  0  0  0
196197  2  0  0  0
198203  1  0  0  0
198199  1  0  0  0
198448  1  0  0  0
199200  1  0  0  0
199449  1  0  0  0
199450  1  0  0  0
200202  1  0  0  0
200201  2  0  0  0
202451  1  0  0  0
202452  1  0  0  0
203204  1  0  0  0
203453  1  0  0  0
204206  1  0  0  0
204205  2  0  0  0
206211  1  0  0  0
206207  1  0  0  0
206454  1  0  0  0
207208  1  0  0  0
207455  1  0  0  0
207456  1  0  0  0
208210  1  0  0  0
208209  2  0  0  0
210457  1  0  0  0
211212  1  0  0  0
211458  1  0  0  0
212214  1  0  0  0
212213  2  0  0  0
214218  1  0  0  0
214215  1  0  0  0
214459  1  0  0  0
215216  1  0  0  0
215460  1  0  0  0
215461  1  0  0  0
216217  1  0  0  0
216462  1  0  0  0
216463  1  0  0  0
217218  1  0  0  0
217464  1  0  0  0
217465  1  0  0  0
218219  1  0  0  0
219221  1  0  0  0
219220  2  0  0  0
221227  1  0  0  0
221222  1  0  0  0
221466  1  0  0  0
222223  1  0  0  0
222467  1  0  0  0
222468  1  0  0  0
223224  1  0  0  0
223469  1  0  0  0
223470  1  0  0  0
224225  1  0  0  0
224471  1  0  0  0
224472  1  0  0  0
225226  1  0  0  0
225473  1  0  0  0
225474  1  0  0  0
226475  1  0  0  0
226476  1  0  0  0
227228  1  0  0  0
227477  1  0  0  0
228230  1  0  0  0
228229  2  0  0  0
230233  1  0  0  0
230231  1  0  0  0
230478  1  0  0  0
231232  1  0  0  0
231479  1  0  0  0
231480  1  0  0  0
232481  1  0  0  0
233234  1  0  0  0
233482  1  0  0  0
234236  1  0  0  0
234235  2  0  0  0
236237  1  0  0  0
236240  1  0  0  0
236483  1  0  0  0
237238  1  0  0  0
237484  1  0  0  0
237485  1  0  0  0
238239  1  0  0  0
238486  1  0  0  0
238487  1  0  0  0
239240  1  0  0  0
239488  1  0  0  0
239489  1  0  0  0
240242  1  0  0  0
240241  1  0  0  0
241490  1  0  0  0
241491  1  0  0  0
241492  1  0  0  0
242244  1  0  0  0
242243  2  0  0  0
244253  1  0  0  0
244245  1  0  0  0
244493  1  0  0  0
245246  1  0  0  0
245494  1  0  0  0
245495  1  0  0  0
246247  2  0  0  0
246251  1  0  0  0
247248  1  0  0  0
247496  1  0  0  0
248249  2  0  0  0
248497  1  0  0  0
249250  1  0  0  0
249252  1  0  0  0
250251  2  0  0  0
250498  1  0  0  0
251499  1  0  0  0
252500  1  0  0  0
253501  1  0  0  0
253502  1  0  0  0
M  CHG  1 240   1
M  END

>  <Chemical Name>
CHEMBL410502

>  <PubChem CID>
91928648

>  <Formula>
C163H249N48O42+

>  <Molecular Weight>
3553.079000

>  <IUPAC Name>


>  <XlogP>
-9.1

>  <Hydrogen Bond Donors>
51

>  <Hydrogen Bond Acceptors>
49

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C4CCCN4C(=O)C(C)NC(=O)C(CO)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CC6=CC=C(C=C6)O)N(C)C(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(C)NC(=O)C7CCCN7C(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C8CCCN8C(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C9CCC[N+]9(C)C(=O)C(CC1=CC=C(C=C1)O)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC6=CC=C(C=C6)O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]9CCC[N+]9(C)C(=O)[C@H](CC1=CC=C(C=C1)O)N

>  <InChI Std. ID>
InChI=1S/C163H248N48O42/c1-15-84(7)128(152(246)200-114(75-125(167)221)141(235)194-110(68-83(5)6)143(237)205-129(85(8)16-2)153(247)206-130(89(12)214)154(248)190-104(30-21-61-181-162(174)175)134(228)189-105(56-57-124(166)220)137(231)187-102(28-19-59-179-160(170)171)135(229)193-108(131(169)225)70-91-38-48-97(216)49-39-91)204-144(238)112(72-93-42-52-99(218)53-43-93)195-140(234)113(74-95-78-178-81-183-95)196-136(230)103(29-20-60-180-161(172)173)188-138(232)109(67-82(3)4)197-148(242)120-33-23-63-208(120)155(249)88(11)186-145(239)117(79-212)202-139(233)111(71-92-40-50-98(217)51-41-92)198-150(244)122(73-94-44-54-100(219)55-45-94)207(13)156(250)106(31-22-62-182-163(176)177)191-133(227)87(10)184-132(226)86(9)185-147(241)119-32-24-65-210(119)158(252)116(76-126(168)222)201-142(236)115(77-127(223)224)199-149(243)121-34-25-64-209(121)157(251)107(27-17-18-58-164)192-146(240)118(80-213)203-151(245)123-35-26-66-211(123,14)159(253)101(165)69-90-36-46-96(215)47-37-90/h36-55,78,81-89,101-123,128-130,212-214H,15-35,56-77,79-80,164-165H2,1-14H3,(H53-,166,167,168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,206,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,248)/p+1/t84-,85-,86-,87-,88-,89+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,128-,129-,130-,211?/m0/s1

>  <InChI Key>
BKBRMIPURHSPPU-RSTBFRGESA-O

