
 CHEMBL2369895

478481  0  0  0  0  0  0  0  0999 V2000
    8.5676    3.7787    3.3257 C   0  0  0  0  0
    9.4437    4.5687    2.3477 C   0  0  0  0  0
   10.5489    3.6597    1.8065 C   0  0  0  0  0
    8.5570    5.1773    1.2341 C   0  0  0  0  0
    9.2917    6.1105    0.2709 C   0  0  0  0  0
    8.6659    6.4776   -1.0951 C   0  0  0  0  0
    9.3562    7.0350   -1.9595 O   0  0  0  0  0
    7.4166    6.0669   -1.4617 N   0  0  0  0  0
    6.1551    6.6595   -0.9618 C   0  0  0  0  0
    5.6172    6.0623    0.3591 C   0  0  0  0  0
    5.3112    4.8695    0.4242 O   0  0  0  0  0
    5.5168    6.8928    1.4566 N   0  0  0  0  0
    4.9898    6.3454    2.7101 C   0  0  0  0  0
    5.1255    7.3151    3.8977 C   0  0  0  0  0
    6.5696    7.6668    4.2642 C   0  0  0  0  0
    6.7413    7.9140    5.7642 C   0  0  0  0  0
    8.0245    8.4941    6.1194 N   0  0  0  0  0
    9.2148    7.8346    5.9365 C   0  0  0  0  0
    9.3105    6.7415    5.3860 O   0  0  0  0  0
   10.4339    8.5784    6.4363 C   0  0  0  0  0
   11.6207    8.3467    5.4906 C   0  0  0  0  0
   11.4021    9.2111    4.2308 C   0  0  0  0  0
   11.9688   10.2822    4.0507 O   0  0  0  0  0
   10.4655    8.6866    3.3730 N   0  0  0  0  0
    9.9543    9.3762    2.1827 C   0  0  0  0  0
    9.1197    8.2927    1.4673 C   0  0  0  0  0
    7.8936    8.2347    1.5238 O   0  0  0  0  0
    9.8678    7.2923    0.8992 N   0  0  0  0  0
    9.1064   10.5914    2.5890 C   0  0  0  0  0
    8.5204   11.3643    1.4030 C   0  0  0  0  0
    7.6548   12.5289    1.8963 C   0  0  0  0  0
    6.9621   13.2461    0.7400 C   0  0  0  0  0
    6.1551   14.3524    1.2485 N   0  0  0  0  0
   12.8803    8.6964    6.1621 N   0  0  0  0  0
   14.1141    8.1149    6.1195 C   0  0  0  0  0
   15.0313    8.6606    6.7389 O   0  0  0  0  0
   14.3952    6.8424    5.2864 C   0  0  0  0  0
   13.5062    5.6397    5.6473 C   0  0  0  0  0
   14.2660    4.4905    6.3448 C   0  0  0  0  0
   14.7846    4.9005    7.7245 C   0  0  0  0  0
   13.3520    3.2693    6.4767 C   0  0  0  0  0
   14.2889    7.2317    3.8725 N   0  0  0  0  0
   15.3386    7.5343    3.0500 C   0  0  0  0  0
   15.2287    8.5129    2.3088 O   0  0  0  0  0
   16.6373    6.6973    3.0358 C   0  0  0  0  0
   17.6804    7.3850    3.9297 C   0  0  0  0  0
   19.0712    6.7846    3.7706 C   0  0  0  0  0
   20.0453    7.4716    4.6810 C   0  0  0  0  0
   20.3035    7.1430    5.8259 O   0  0  0  0  0
   20.6063    8.5557    4.1191 O   0  0  0  0  0
   16.4353    5.2946    3.4041 N   0  0  0  0  0
   15.9638    4.2339    2.7008 C   0  0  0  0  0
   16.0034    3.1339    3.2679 O   0  0  0  0  0
   15.5105    4.2810    1.2214 C   0  0  0  0  0
   14.6287    5.4597    0.8182 C   0  0  0  0  0
   13.8974    5.2531   -0.5124 C   0  0  0  0  0
   12.8364    6.3132   -0.7214 C   0  0  0  0  0
   12.4564    7.0843    0.1538 O   0  0  0  0  0
   12.2465    6.2947   -1.9477 N   0  0  0  0  0
   16.6555    4.1198    0.3254 N   0  0  0  0  0
   17.2266    2.9763   -0.1639 C   0  0  0  0  0
   18.2352    3.1079   -0.8584 O   0  0  0  0  0
   16.5930    1.5950    0.1096 C   0  0  0  0  0
   15.3418    1.4691   -0.7837 C   0  0  0  0  0
   14.6835    0.2215   -0.5503 O   0  0  0  0  0
   17.4383    0.4148   -0.1879 N   0  0  0  0  0
   18.5673   -0.0594    0.4071 C   0  0  0  0  0
   18.7621   -1.2778    0.3458 O   0  0  0  0  0
   19.6014    0.8910    1.0450 C   0  0  0  0  0
   19.1598    1.2824    2.4659 C   0  0  0  0  0
   20.0829    2.2933    3.1826 C   0  0  0  0  0
   20.2742    3.5844    2.3866 C   0  0  0  0  0
   19.5217    2.6156    4.5704 C   0  0  0  0  0
   20.9289    0.2533    1.0746 N   0  0  0  0  0
   21.7780   -0.1007    0.0687 C   0  0  0  0  0
   22.9186   -0.4381    0.4060 O   0  0  0  0  0
   21.3217   -0.1714   -1.4136 C   0  0  0  0  0
   21.0567    1.2108   -2.0299 C   0  0  0  0  0
   20.5586    1.1211   -3.4808 C   0  0  0  0  0
   20.2042    2.4991   -4.0435 C   0  0  0  0  0
   19.8410    2.4073   -5.5252 C   0  0  0  0  0
   19.4945    3.7239   -6.0444 N   0  0  0  0  0
   22.3568   -0.8419   -2.2162 N   0  0  0  0  0
   22.6232   -2.1663   -2.3536 C   0  0  0  0  0
   23.3641   -2.5001   -3.2777 O   0  0  0  0  0
   22.0682   -3.1731   -1.3434 C   0  0  0  0  0
   22.2750   -4.5584   -1.7803 N   0  0  0  0  0
   23.3600   -5.3781   -1.6189 C   0  0  0  0  0
   23.3586   -6.4628   -2.2061 O   0  0  0  0  0
   24.5236   -4.9521   -0.6895 C   0  0  0  0  0
   24.0294   -5.0924    0.7730 C   0  0  0  0  0
   24.9487   -4.4911    1.8602 C   0  0  0  0  0
   25.3103   -3.0298    1.5988 C   0  0  0  0  0
   24.2713   -4.6158    3.2291 C   0  0  0  0  0
   25.7649   -5.7490   -0.8525 N   0  0  0  0  0
   26.6647   -5.7846   -1.8782 C   0  0  0  0  0
   27.8495   -5.9260   -1.5573 O   0  0  0  0  0
   26.2375   -5.7263   -3.3641 C   0  0  0  0  0
   25.9091   -4.2721   -3.7738 C   0  0  0  0  0
   27.1432   -3.3652   -3.8480 C   0  0  0  0  0
   25.1345   -4.2259   -5.0975 C   0  0  0  0  0
   27.2479   -6.2752   -4.2990 N   0  0  0  0  0
   27.5397   -7.5796   -4.5383 C   0  0  0  0  0
   27.6812   -7.9216   -5.7183 O   0  0  0  0  0
   27.7790   -8.5906   -3.4062 C   0  0  0  0  0
   26.5047   -9.4085   -3.1972 C   0  0  0  0  0
   26.7149  -10.6670   -1.8940 S   0  0  0  0  0
   28.9096   -9.4183   -3.9017 N   0  0  0  0  0
   30.2230   -9.0500   -3.7117 C   0  0  0  0  0
   30.9277   -8.8198   -4.6945 O   0  0  0  0  0
   30.7933   -8.9515   -2.2829 C   0  0  0  0  0
   30.5870   -7.6159   -1.5586 C   0  0  0  0  0
   30.8959   -6.4039   -2.4270 C   0  0  0  0  0
   31.4802   -7.5773   -0.4275 O   0  0  0  0  0
   30.2515  -10.0838   -1.5142 N   0  0  0  0  0
   30.9862  -11.1789   -1.1497 C   0  0  0  0  0
   30.5320  -12.2961   -1.4031 O   0  0  0  0  0
   32.3329  -11.0074   -0.4265 C   0  0  0  0  0
   33.5319  -10.7024   -1.3199 C   0  0  0  0  0
   34.6947  -11.2845   -0.7150 O   0  0  0  0  0
   32.1832  -10.0246    0.6516 N   0  0  0  0  0
   32.1663  -10.2028    2.0001 C   0  0  0  0  0
   31.6177   -9.3410    2.6942 O   0  0  0  0  0
   32.8569  -11.4149    2.6755 C   0  0  0  0  0
   32.0779  -12.7259    2.4845 C   0  0  0  0  0
   32.4202  -13.8498    3.4842 C   0  0  0  0  0
   32.0277  -13.5101    4.9225 C   0  0  0  0  0
   31.6990  -15.1357    3.0586 C   0  0  0  0  0
   34.2497  -11.4544    2.2054 N   0  0  0  0  0
   35.2767  -10.6682    2.6668 C   0  0  0  0  0
   36.1251  -10.2632    1.8658 O   0  0  0  0  0
   35.4500  -10.3683    4.1717 C   0  0  0  0  0
   34.3718   -9.4635    4.7552 C   0  0  0  0  0
   34.9860   -8.3871    5.6100 C   0  0  0  0  0
   34.9599   -8.4081    6.8330 O   0  0  0  0  0
   35.6209   -7.3866    4.9359 N   0  0  0  0  0
   35.5520  -11.6689    4.8374 N   0  0  0  0  0
   36.6825  -12.4338    4.9260 C   0  0  0  0  0
   36.5425  -13.6544    4.8055 O   0  0  0  0  0
   38.0846  -11.8210    5.1166 C   0  0  0  0  0
   38.6907  -11.3185    3.8005 C   0  0  0  0  0
   40.1187  -11.3651    3.8887 O   0  0  0  0  0
   38.0857  -10.7930    6.1646 N   0  0  0  0  0
   38.4153  -10.8628    7.4846 C   0  0  0  0  0
   38.1595   -9.8695    8.1730 O   0  0  0  0  0
   39.0911  -12.0966    8.1151 C   0  0  0  0  0
   38.1637  -13.3216    8.1240 C   0  0  0  0  0
   38.8723  -14.7342    9.0403 S   0  0  0  0  0
   40.4374  -12.2985    7.5376 N   0  0  0  0  0
    3.4746    6.0694    2.5163 C   0  0  0  0  0
    2.7609    6.8226    1.8437 O   0  0  0  0  0
    2.8459    5.0604    3.1932 N   0  0  0  0  0
    3.3964    3.8100    3.7452 C   0  0  0  0  0
    4.1407    2.9924    2.6619 C   0  0  0  0  0
    4.0988    1.4876    2.8325 C   0  0  0  0  0
    3.1176    0.7302    2.1767 C   0  0  0  0  0
    3.1161   -0.6634    2.2731 C   0  0  0  0  0
    4.0862   -1.3034    3.0341 C   0  0  0  0  0
    5.0625   -0.5729    3.7002 C   0  0  0  0  0
    5.0701    0.8200    3.5932 C   0  0  0  0  0
    4.0379   -2.6624    3.1149 O   0  0  0  0  0
    4.2344    4.0156    5.0361 C   0  0  0  0  0
    5.3691    3.5381    5.1372 O   0  0  0  0  0
    3.6841    4.6608    6.1305 N   0  0  0  0  0
    4.4988    4.8290    7.3297 C   0  0  0  0  0
    3.7123    5.7562    8.2424 C   0  0  0  0  0
    2.8293    6.5308    7.2731 C   0  0  0  0  0
    2.4551    5.4710    6.2280 C   0  0  0  0  0
    1.2125    4.7131    6.7365 C   0  0  0  0  0
    0.1470    5.2993    6.9066 O   0  0  0  0  0
    1.4364    3.3992    7.0859 N   0  0  0  0  0
    0.4105    2.5139    7.6520 C   0  0  0  0  0
   -0.3286    3.1768    8.8323 C   0  0  0  0  0
   -0.8756    2.1652    9.8335 C   0  0  0  0  0
   -1.3120    2.8079   11.1472 C   0  0  0  0  0
   -1.7543    1.7635   12.0721 N   0  0  0  0  0
   -0.8958    1.1625   12.8044 C   0  0  0  0  0
    0.4464    1.3012   12.8776 N   0  0  0  0  0
   -1.3072    0.2205   13.6817 N   0  0  0  0  0
   -0.5376    2.0441    6.5279 C   0  0  0  0  0
   -1.0121    2.8244    5.6966 O   0  0  0  0  0
   -0.9297    0.7432    6.4174 N   0  0  0  0  0
   -0.2467   -0.5039    6.8212 C   0  0  0  0  0
    1.2162   -0.5826    6.3105 C   0  0  0  0  0
    1.6839   -2.0287    6.1666 C   0  0  0  0  0
    1.3180    0.0658    5.0367 O   0  0  0  0  0
   -0.3325   -0.7636    8.3333 C   0  0  0  0  0
    0.6788   -0.7356    9.0450 O   0  0  0  0  0
   -1.5211   -0.9759    8.9675 N   0  0  0  0  0
   -2.8448   -1.4282    8.4923 C   0  0  0  0  0
   -3.4430   -0.6755    7.3128 C   0  0  0  0  0
   -4.9448   -0.8240    7.3113 C   0  0  0  0  0
   -5.5296   -1.7889    6.8330 O   0  0  0  0  0
   -5.6307    0.1830    7.9192 N   0  0  0  0  0
   -2.7186   -2.9296    8.1928 C   0  0  0  0  0
   -1.9643   -3.3342    7.3018 O   0  0  0  0  0
   -3.3866   -3.8566    8.9336 N   0  0  0  0  0
   -4.0903   -3.7455   10.2295 C   0  0  0  0  0
   -3.2053   -3.1966   11.3794 C   0  0  0  0  0
   -3.7688   -3.5584   12.7520 C   0  0  0  0  0
   -1.8827   -3.7429   11.2832 O   0  0  0  0  0
   -5.4016   -2.9476   10.0875 C   0  0  0  0  0
   -5.5739   -1.8642   10.6530 O   0  0  0  0  0
   -6.4111   -3.4120    9.3014 N   0  0  0  0  0
   -6.5395   -4.6936    8.6240 C   0  0  0  0  0
   -7.2624   -5.6663    9.5529 C   0  0  0  0  0
   -6.6577   -6.1926   10.4938 O   0  0  0  0  0
   -8.6009   -5.8954    9.4680 N   0  0  0  0  0
   -9.6419   -5.4062    8.5525 C   0  0  0  0  0
   -9.6794   -3.8847    8.3466 C   0  0  0  0  0
  -11.0122   -3.4685    8.0456 O   0  0  0  0  0
   -9.5436   -6.1150    7.1925 C   0  0  0  0  0
   -8.6323   -5.8760    6.3973 O   0  0  0  0  0
  -10.4251   -7.1000    6.8665 N   0  0  0  0  0
  -11.3913   -7.7840    7.7120 C   0  0  0  0  0
  -12.2274   -8.7382    6.8680 C   0  0  0  0  0
  -13.3784   -8.4383    6.5368 O   0  0  0  0  0
  -11.7204   -9.8954    6.3615 N   0  0  0  0  0
  -10.5836  -10.7622    6.7601 C   0  0  0  0  0
   -9.1693  -10.1265    6.7340 C   0  0  0  0  0
   -8.4540   -9.9329    8.0643 C   0  0  0  0  0
   -8.3165  -10.9538    5.9235 O   0  0  0  0  0
  -10.9935  -11.4667    8.0727 C   0  0  0  0  0
  -11.0099  -10.8308    9.1343 O   0  0  0  0  0
  -11.5155  -12.7503    8.0248 N   0  0  0  0  0
  -12.1454  -13.3003    9.2144 C   0  0  0  0  0
  -12.7029  -14.6524    8.8014 C   0  0  0  0  0
  -12.9241  -14.5074    7.2992 C   0  0  0  0  0
  -11.7916  -13.5824    6.8455 C   0  0  0  0  0
  -10.5320  -14.3184    6.3308 C   0  0  0  0  0
   -9.7612  -13.8042    5.5233 O   0  0  0  0  0
  -10.2000  -15.5253    6.8674 N   0  0  0  0  0
    6.0871    8.1814   -1.1518 C   0  0  0  0  0
    4.6608    8.7307   -1.0624 C   0  0  0  0  0
    4.6191   10.2224   -1.3138 C   0  0  0  0  0
    5.5476   10.8781   -1.7618 O   0  0  0  0  0
    3.4154   10.7990   -1.0308 N   0  0  0  0  0
    9.1687    3.3684    4.1442 H   0  0  0  0  0
    7.8006    4.4217    3.7694 H   0  0  0  0  0
    8.0630    2.9457    2.8239 H   0  0  0  0  0
    9.9179    5.3813    2.9115 H   0  0  0  0  0
   10.1397    2.8842    1.1506 H   0  0  0  0  0
   11.2949    4.2272    1.2436 H   0  0  0  0  0
   11.0807    3.1636    2.6260 H   0  0  0  0  0
    7.7633    5.7257    1.7367 H   0  0  0  0  0
    8.0834    4.3643    0.6705 H   0  0  0  0  0
   10.1643    5.5338   -0.0574 H   0  0  0  0  0
    7.3966    6.1298   -2.4733 H   0  0  0  0  0
    5.4249    6.2659   -1.6879 H   0  0  0  0  0
    6.2313    7.6221    1.5175 H   0  0  0  0  0
    5.5261    5.4201    2.9246 H   0  0  0  0  0
    4.6333    6.8703    4.7661 H   0  0  0  0  0
    4.5790    8.2445    3.6887 H   0  0  0  0  0
    6.8536    8.5728    3.7230 H   0  0  0  0  0
    7.2473    6.8698    3.9439 H   0  0  0  0  0
    6.6470    6.9719    6.3105 H   0  0  0  0  0
    5.9716    8.6017    6.1302 H   0  0  0  0  0
    8.0173    9.3853    6.6014 H   0  0  0  0  0
   10.6573    8.1890    7.4368 H   0  0  0  0  0
   10.2188    9.6488    6.5358 H   0  0  0  0  0
   11.6747    7.3124    5.1535 H   0  0  0  0  0
   10.0495    7.7801    3.5876 H   0  0  0  0  0
   10.8007    9.6821    1.5584 H   0  0  0  0  0
   10.8655    7.4586    0.7366 H   0  0  0  0  0
    9.7164   11.2818    3.1844 H   0  0  0  0  0
    8.2916   10.2708    3.2490 H   0  0  0  0  0
    7.9096   10.7039    0.7787 H   0  0  0  0  0
    9.3322   11.7460    0.7727 H   0  0  0  0  0
    8.2819   13.2352    2.4550 H   0  0  0  0  0
    6.8971   12.1502    2.5947 H   0  0  0  0  0
    6.3091   12.5501    0.2056 H   0  0  0  0  0
    7.7013   13.6292    0.0285 H   0  0  0  0  0
    6.7642   15.0388    1.6921 H   0  0  0  0  0
    5.7220   14.8305    0.4587 H   0  0  0  0  0
   12.9223    9.6196    6.5840 H   0  0  0  0  0
   15.4368    6.5872    5.4860 H   0  0  0  0  0
   13.0402    5.2439    4.7354 H   0  0  0  0  0
   12.6944    5.9335    6.3217 H   0  0  0  0  0
   15.1221    4.1970    5.7293 H   0  0  0  0  0
   13.9658    5.2236    8.3763 H   0  0  0  0  0
   15.5056    5.7203    7.6545 H   0  0  0  0  0
   15.2916    4.0606    8.2117 H   0  0  0  0  0
   12.4723    3.4945    7.0893 H   0  0  0  0  0
   13.8845    2.4330    6.9418 H   0  0  0  0  0
   13.0042    2.9360    5.4930 H   0  0  0  0  0
   13.5565    7.9060    3.6772 H   0  0  0  0  0
   16.9988    6.6972    2.0010 H   0  0  0  0  0
   17.3875    7.3327    4.9847 H   0  0  0  0  0
   17.7222    8.4554    3.6882 H   0  0  0  0  0
   19.4264    6.8576    2.7367 H   0  0  0  0  0
   19.0739    5.7226    4.0345 H   0  0  0  0  0
   21.1849    8.9255    4.8199 H   0  0  0  0  0
   16.6947    5.0315    4.3485 H   0  0  0  0  0
   14.8815    3.3898    1.1306 H   0  0  0  0  0
   15.2237    6.3702    0.7109 H   0  0  0  0  0
   13.8922    5.6297    1.6116 H   0  0  0  0  0
   13.3897    4.2825   -0.5206 H   0  0  0  0  0
   14.6065    5.2831   -1.3469 H   0  0  0  0  0
   12.4999    5.6593   -2.6908 H   0  0  0  0  0
   11.4549    6.9159   -2.1204 H   0  0  0  0  0
   17.2113    4.9449    0.1213 H   0  0  0  0  0
   16.3206    1.5091    1.1644 H   0  0  0  0  0
   15.6255    1.4923   -1.8425 H   0  0  0  0  0
   14.6146    2.2672   -0.6319 H   0  0  0  0  0
   14.3463    0.2150    0.3637 H   0  0  0  0  0
   16.8912   -0.3724   -0.5319 H   0  0  0  0  0
   19.6945    1.7778    0.4296 H   0  0  0  0  0
   19.0899    0.3741    3.0803 H   0  0  0  0  0
   18.1486    1.6978    2.4356 H   0  0  0  0  0
   21.0696    1.8390    3.3306 H   0  0  0  0  0
   20.8180    3.4036    1.4547 H   0  0  0  0  0
   20.8611    4.3097    2.9602 H   0  0  0  0  0
   19.3121    4.0437    2.1379 H   0  0  0  0  0
   18.5416    3.0981    4.5030 H   0  0  0  0  0
   20.1920    3.2901    5.1139 H   0  0  0  0  0
   19.4111    1.7040    5.1670 H   0  0  0  0  0
   21.3847    0.1788    1.9760 H   0  0  0  0  0
   20.4272   -0.7958   -1.4715 H   0  0  0  0  0
   21.9732    1.8141   -1.9948 H   0  0  0  0  0
   20.3135    1.7565   -1.4548 H   0  0  0  0  0
   21.3281    0.6669   -4.1153 H   0  0  0  0  0
   19.6764    0.4709   -3.5275 H   0  0  0  0  0
   21.0546    3.1800   -3.9132 H   0  0  0  0  0
   19.3636    2.9180   -3.4768 H   0  0  0  0  0
   18.9969    1.7240   -5.6696 H   0  0  0  0  0
   20.6897    2.0130   -6.0948 H   0  0  0  0  0
   19.2365    3.6429   -7.0272 H   0  0  0  0  0
   18.6722    4.0794   -5.5594 H   0  0  0  0  0
   22.8978   -0.2738   -2.8572 H   0  0  0  0  0
   20.9890   -3.0354   -1.2400 H   0  0  0  0  0
   22.5588   -3.0030   -0.3858 H   0  0  0  0  0
   21.6296   -4.9120   -2.4769 H   0  0  0  0  0
   24.7764   -3.9149   -0.9217 H   0  0  0  0  0
   23.8924   -6.1612    0.9929 H   0  0  0  0  0
   23.0321   -4.6524    0.8831 H   0  0  0  0  0
   25.8796   -5.0681    1.9059 H   0  0  0  0  0
   25.9362   -2.9270    0.7073 H   0  0  0  0  0
   25.8782   -2.6133    2.4379 H   0  0  0  0  0
   24.4128   -2.4194    1.4634 H   0  0  0  0  0
   23.3441   -4.0335    3.2680 H   0  0  0  0  0
   24.9310   -4.2524    4.0244 H   0  0  0  0  0
   24.0265   -5.6600    3.4498 H   0  0  0  0  0
   26.2875   -5.8562    0.0079 H   0  0  0  0  0
   25.3620   -6.3692   -3.4795 H   0  0  0  0  0
   25.2671   -3.8401   -3.0101 H   0  0  0  0  0
   27.6924   -3.3671   -2.9012 H   0  0  0  0  0
   26.8427   -2.3314   -4.0507 H   0  0  0  0  0
   27.8310   -3.6695   -4.6431 H   0  0  0  0  0
   25.7242   -4.6017   -5.9388 H   0  0  0  0  0
   24.2198   -4.8245   -5.0305 H   0  0  0  0  0
   24.8453   -3.1987   -5.3421 H   0  0  0  0  0
   27.2414   -5.8160   -5.2021 H   0  0  0  0  0
   28.0805   -8.0826   -2.4984 H   0  0  0  0  0
   25.6772   -8.7561   -2.9017 H   0  0  0  0  0
   26.2067   -9.9215   -4.1183 H   0  0  0  0  0
   27.4926  -11.5001   -2.6058 H   0  0  0  0  0
   28.7899   -9.5668   -4.9056 H   0  0  0  0  0
   31.8654   -9.1185   -2.4021 H   0  0  0  0  0
   29.5810   -7.5560   -1.1427 H   0  0  0  0  0
   30.2122   -6.3255   -3.2765 H   0  0  0  0  0
   31.9234   -6.4466   -2.8049 H   0  0  0  0  0
   30.8177   -5.4822   -1.8402 H   0  0  0  0  0
   31.2375   -6.7829    0.0870 H   0  0  0  0  0
   29.3430  -10.3859   -1.8553 H   0  0  0  0  0
   32.5221  -11.9766    0.0218 H   0  0  0  0  0
   33.7132   -9.6273   -1.4138 H   0  0  0  0  0
   33.4184  -11.1422   -2.3152 H   0  0  0  0  0
   35.4744  -10.8893   -1.1481 H   0  0  0  0  0
   31.7492   -9.1422    0.3718 H   0  0  0  0  0
   32.8618  -11.1842    3.7384 H   0  0  0  0  0
   32.2519  -13.1384    1.4897 H   0  0  0  0  0
   31.0019  -12.5129    2.5456 H   0  0  0  0  0
   33.4995  -14.0408    3.4493 H   0  0  0  0  0
   30.9641  -13.2591    4.9951 H   0  0  0  0  0
   32.2180  -14.3622    5.5844 H   0  0  0  0  0
   32.6018  -12.6666    5.3132 H   0  0  0  0  0
   30.6110  -15.0062    3.0835 H   0  0  0  0  0
   31.9563  -15.9674    3.7225 H   0  0  0  0  0
   31.9800  -15.4241    2.0400 H   0  0  0  0  0
   34.3559  -11.5688    1.1947 H   0  0  0  0  0
   36.4169   -9.8713    4.2528 H   0  0  0  0  0
   33.6580  -10.0121    5.3800 H   0  0  0  0  0
   33.8093   -8.9499    3.9701 H   0  0  0  0  0
   35.4199   -7.1794    3.9660 H   0  0  0  0  0
   35.9653   -6.6230    5.5079 H   0  0  0  0  0
   34.7554  -12.2797    4.6952 H   0  0  0  0  0
   38.7121  -12.6445    5.4611 H   0  0  0  0  0
   38.4113  -10.2840    3.5838 H   0  0  0  0  0
   38.3918  -11.9512    2.9589 H   0  0  0  0  0
   40.4669  -10.9438    3.0827 H   0  0  0  0  0
   37.6439   -9.9041    5.9665 H   0  0  0  0  0
   39.2614  -11.8172    9.1644 H   0  0  0  0  0
   37.9409  -13.6869    7.1222 H   0  0  0  0  0
   37.2073  -13.0598    8.5897 H   0  0  0  0  0
   39.7536  -15.1006    8.0987 H   0  0  0  0  0
   40.8365  -13.1591    7.9047 H   0  0  0  0  0
   40.4060  -12.3750    6.5235 H   0  0  0  0  0
    1.8691    5.0138    2.9188 H   0  0  0  0  0
    2.5129    3.2396    4.0626 H   0  0  0  0  0
    5.1917    3.2945    2.5885 H   0  0  0  0  0
    3.7056    3.2164    1.6787 H   0  0  0  0  0
    2.3576    1.2168    1.5684 H   0  0  0  0  0
    2.3577   -1.2453    1.7560 H   0  0  0  0  0
    5.8286   -1.0623    4.2934 H   0  0  0  0  0
    5.8609    1.3793    4.0901 H   0  0  0  0  0
    4.8215   -2.9763    3.5955 H   0  0  0  0  0
    5.4589    5.2689    7.0477 H   0  0  0  0  0
    4.6864    3.8540    7.7906 H   0  0  0  0  0
    3.0929    5.1726    8.9336 H   0  0  0  0  0
    4.3600    6.4057    8.8379 H   0  0  0  0  0
    1.9717    6.9890    7.7749 H   0  0  0  0  0
    3.4145    7.3308    6.8038 H   0  0  0  0  0
    2.1951    5.9389    5.2803 H   0  0  0  0  0
    2.2975    2.9774    6.7615 H   0  0  0  0  0
    0.9832    1.6655    8.0268 H   0  0  0  0  0
   -1.1564    3.8005    8.4746 H   0  0  0  0  0
    0.3676    3.8404    9.3620 H   0  0  0  0  0
   -1.7264    1.6375    9.3912 H   0  0  0  0  0
   -0.1010    1.4266   10.0541 H   0  0  0  0  0
   -2.1532    3.4862   10.9657 H   0  0  0  0  0
   -0.5127    3.4216   11.5799 H   0  0  0  0  0
    0.8574    1.8041   12.1016 H   0  0  0  0  0
    0.9200    0.4146   13.0110 H   0  0  0  0  0
   -2.3189    0.2646   13.7676 H   0  0  0  0  0
   -0.8753    0.3426   14.5907 H   0  0  0  0  0
   -1.4349    0.6501    5.5432 H   0  0  0  0  0
   -0.8108   -1.2958    6.3187 H   0  0  0  0  0
    1.9016   -0.0550    6.9810 H   0  0  0  0  0
    1.6002   -2.5782    7.1084 H   0  0  0  0  0
    1.1046   -2.5522    5.3982 H   0  0  0  0  0
    2.7302   -2.0598    5.8447 H   0  0  0  0  0
    2.1880   -0.1565    4.6581 H   0  0  0  0  0
   -1.3568   -1.1467    9.9540 H   0  0  0  0  0
   -3.4920   -1.2706    9.3530 H   0  0  0  0  0
   -3.0782   -1.0313    6.3443 H   0  0  0  0  0
   -3.2189    0.3936    7.3888 H   0  0  0  0  0
   -5.1836    0.9426    8.4167 H   0  0  0  0  0
   -6.6364    0.1059    7.9803 H   0  0  0  0  0
   -3.0796   -4.7919    8.6948 H   0  0  0  0  0
   -4.3600   -4.7782   10.4810 H   0  0  0  0  0
   -3.1037   -2.1091   11.3194 H   0  0  0  0  0
   -4.7760   -3.1586   12.8986 H   0  0  0  0  0
   -3.1244   -3.1617   13.5443 H   0  0  0  0  0
   -3.7982   -4.6449   12.8882 H   0  0  0  0  0
   -1.3633   -3.3902   12.0277 H   0  0  0  0  0
   -7.1915   -2.7735    9.2488 H   0  0  0  0  0
   -5.5628   -5.1176    8.3835 H   0  0  0  0  0
   -7.0696   -4.5324    7.6896 H   0  0  0  0  0
   -8.9084   -6.5510   10.1774 H   0  0  0  0  0
  -10.5829   -5.6914    9.0324 H   0  0  0  0  0
   -9.0345   -3.5526    7.5279 H   0  0  0  0  0
   -9.3852   -3.3632    9.2623 H   0  0  0  0  0
  -10.9652   -2.5421    7.7470 H   0  0  0  0  0
  -10.3063   -7.4425    5.9191 H   0  0  0  0  0
  -12.0591   -7.0395    8.1576 H   0  0  0  0  0
  -10.8832   -8.3010    8.5239 H   0  0  0  0  0
  -12.4363  -10.3706    5.8243 H   0  0  0  0  0
  -10.5830  -11.5041    5.9604 H   0  0  0  0  0
   -9.2045   -9.1798    6.1962 H   0  0  0  0  0
   -8.2786  -10.8927    8.5619 H   0  0  0  0  0
   -8.9928   -9.2713    8.7431 H   0  0  0  0  0
   -7.4635   -9.4937    7.8972 H   0  0  0  0  0
   -7.4579  -10.5055    5.8293 H   0  0  0  0  0
  -12.9493  -12.6236    9.5253 H   0  0  0  0  0
  -11.4161  -13.3776   10.0269 H   0  0  0  0  0
  -11.9745  -15.4402    9.0169 H   0  0  0  0  0
  -13.6230  -14.9040    9.3371 H   0  0  0  0  0
  -12.9527  -15.4696    6.7795 H   0  0  0  0  0
  -13.8878  -14.0102    7.1299 H   0  0  0  0  0
  -12.1555  -12.9608    6.0199 H   0  0  0  0  0
  -10.8240  -16.1020    7.4095 H   0  0  0  0  0
   -9.3637  -15.9631    6.4993 H   0  0  0  0  0
    6.4917    8.4289   -2.1431 H   0  0  0  0  0
    6.7286    8.7060   -0.4424 H   0  0  0  0  0
    4.0237    8.2472   -1.8120 H   0  0  0  0  0
    4.2287    8.5420   -0.0757 H   0  0  0  0  0
    2.6861   10.3115   -0.5270 H   0  0  0  0  0
    3.3449   11.8039   -1.1245 H   0  0  0  0  0
  1  2  1  0  0  0
  1238  1  0  0  0
  1239  1  0  0  0
  1240  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2241  1  0  0  0
  3242  1  0  0  0
  3243  1  0  0  0
  3244  1  0  0  0
  4  5  1  0  0  0
  4245  1  0  0  0
  4246  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5247  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8248  1  0  0  0
  9233  1  0  0  0
  9 10  1  0  0  0
  9249  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12250  1  0  0  0
 13150  1  0  0  0
 13 14  1  0  0  0
 13251  1  0  0  0
 14 15  1  0  0  0
 14252  1  0  0  0
 14253  1  0  0  0
 15 16  1  0  0  0
 15254  1  0  0  0
 15255  1  0  0  0
 16 17  1  0  0  0
 16256  1  0  0  0
 16257  1  0  0  0
 17 18  1  0  0  0
 17258  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20259  1  0  0  0
 20260  1  0  0  0
 21 34  1  0  0  0
 21 22  1  0  0  0
 21261  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24262  1  0  0  0
 25 29  1  0  0  0
 25 26  1  0  0  0
 25263  1  0  0  0
 26 27  2  0  0  0
 26 28  1  0  0  0
 28264  1  0  0  0
 29 30  1  0  0  0
 29265  1  0  0  0
 29266  1  0  0  0
 30 31  1  0  0  0
 30267  1  0  0  0
 30268  1  0  0  0
 31 32  1  0  0  0
 31269  1  0  0  0
 31270  1  0  0  0
 32 33  1  0  0  0
 32271  1  0  0  0
 32272  1  0  0  0
 33273  1  0  0  0
 33274  1  0  0  0
 34 35  1  0  0  0
 34275  1  0  0  0
 35 37  1  0  0  0
 35 36  2  0  0  0
 37 42  1  0  0  0
 37 38  1  0  0  0
 37276  1  0  0  0
 38 39  1  0  0  0
 38277  1  0  0  0
 38278  1  0  0  0
 39 41  1  0  0  0
 39 40  1  0  0  0
 39279  1  0  0  0
 40280  1  0  0  0
 40281  1  0  0  0
 40282  1  0  0  0
 41283  1  0  0  0
 41284  1  0  0  0
 41285  1  0  0  0
 42 43  1  0  0  0
 42286  1  0  0  0
 43 45  1  0  0  0
 43 44  2  0  0  0
 45 51  1  0  0  0
 45 46  1  0  0  0
 45287  1  0  0  0
 46 47  1  0  0  0
 46288  1  0  0  0
 46289  1  0  0  0
 47 48  1  0  0  0
 47290  1  0  0  0
 47291  1  0  0  0
 48 50  1  0  0  0
 48 49  2  0  0  0
 50292  1  0  0  0
 51 52  1  0  0  0
 51293  1  0  0  0
 52 54  1  0  0  0
 52 53  2  0  0  0
 54 60  1  0  0  0
 54 55  1  0  0  0
 54294  1  0  0  0
 55 56  1  0  0  0
 55295  1  0  0  0
 55296  1  0  0  0
 56 57  1  0  0  0
 56297  1  0  0  0
 56298  1  0  0  0
 57 59  1  0  0  0
 57 58  2  0  0  0
 59299  1  0  0  0
 59300  1  0  0  0
 60 61  1  0  0  0
 60301  1  0  0  0
 61 63  1  0  0  0
 61 62  2  0  0  0
 63 66  1  0  0  0
 63 64  1  0  0  0
 63302  1  0  0  0
 64 65  1  0  0  0
 64303  1  0  0  0
 64304  1  0  0  0
 65305  1  0  0  0
 66 67  1  0  0  0
 66306  1  0  0  0
 67 69  1  0  0  0
 67 68  2  0  0  0
 69 74  1  0  0  0
 69 70  1  0  0  0
 69307  1  0  0  0
 70 71  1  0  0  0
 70308  1  0  0  0
 70309  1  0  0  0
 71 73  1  0  0  0
 71 72  1  0  0  0
 71310  1  0  0  0
 72311  1  0  0  0
 72312  1  0  0  0
 72313  1  0  0  0
 73314  1  0  0  0
 73315  1  0  0  0
 73316  1  0  0  0
 74 75  1  0  0  0
 74317  1  0  0  0
 75 77  1  0  0  0
 75 76  2  0  0  0
 77 83  1  0  0  0
 77 78  1  0  0  0
 77318  1  0  0  0
 78 79  1  0  0  0
 78319  1  0  0  0
 78320  1  0  0  0
 79 80  1  0  0  0
 79321  1  0  0  0
 79322  1  0  0  0
 80 81  1  0  0  0
 80323  1  0  0  0
 80324  1  0  0  0
 81 82  1  0  0  0
 81325  1  0  0  0
 81326  1  0  0  0
 82327  1  0  0  0
 82328  1  0  0  0
 83 84  1  0  0  0
 83329  1  0  0  0
 84 86  1  0  0  0
 84 85  2  0  0  0
 86 87  1  0  0  0
 86330  1  0  0  0
 86331  1  0  0  0
 87 88  1  0  0  0
 87332  1  0  0  0
 88 90  1  0  0  0
 88 89  2  0  0  0
 90 95  1  0  0  0
 90 91  1  0  0  0
 90333  1  0  0  0
 91 92  1  0  0  0
 91334  1  0  0  0
 91335  1  0  0  0
 92 94  1  0  0  0
 92 93  1  0  0  0
 92336  1  0  0  0
 93337  1  0  0  0
 93338  1  0  0  0
 93339  1  0  0  0
 94340  1  0  0  0
 94341  1  0  0  0
 94342  1  0  0  0
 95 96  1  0  0  0
 95343  1  0  0  0
 96 98  1  0  0  0
 96 97  2  0  0  0
 98102  1  0  0  0
 98 99  1  0  0  0
 98344  1  0  0  0
 99101  1  0  0  0
 99100  1  0  0  0
 99345  1  0  0  0
100346  1  0  0  0
100347  1  0  0  0
100348  1  0  0  0
101349  1  0  0  0
101350  1  0  0  0
101351  1  0  0  0
102103  1  0  0  0
102352  1  0  0  0
103105  1  0  0  0
103104  2  0  0  0
105108  1  0  0  0
105106  1  0  0  0
105353  1  0  0  0
106107  1  0  0  0
106354  1  0  0  0
106355  1  0  0  0
107356  1  0  0  0
108109  1  0  0  0
108357  1  0  0  0
109111  1  0  0  0
109110  2  0  0  0
111115  1  0  0  0
111112  1  0  0  0
111358  1  0  0  0
112114  1  0  0  0
112113  1  0  0  0
112359  1  0  0  0
113360  1  0  0  0
113361  1  0  0  0
113362  1  0  0  0
114363  1  0  0  0
115116  1  0  0  0
115364  1  0  0  0
116118  1  0  0  0
116117  2  0  0  0
118121  1  0  0  0
118119  1  0  0  0
118365  1  0  0  0
119120  1  0  0  0
119366  1  0  0  0
119367  1  0  0  0
120368  1  0  0  0
121122  1  0  0  0
121369  1  0  0  0
122124  1  0  0  0
122123  2  0  0  0
124129  1  0  0  0
124125  1  0  0  0
124370  1  0  0  0
125126  1  0  0  0
125371  1  0  0  0
125372  1  0  0  0
126128  1  0  0  0
126127  1  0  0  0
126373  1  0  0  0
127374  1  0  0  0
127375  1  0  0  0
127376  1  0  0  0
128377  1  0  0  0
128378  1  0  0  0
128379  1  0  0  0
129130  1  0  0  0
129380  1  0  0  0
130132  1  0  0  0
130131  2  0  0  0
132137  1  0  0  0
132133  1  0  0  0
132381  1  0  0  0
133134  1  0  0  0
133382  1  0  0  0
133383  1  0  0  0
134136  1  0  0  0
134135  2  0  0  0
136384  1  0  0  0
136385  1  0  0  0
137138  1  0  0  0
137386  1  0  0  0
138140  1  0  0  0
138139  2  0  0  0
140143  1  0  0  0
140141  1  0  0  0
140387  1  0  0  0
141142  1  0  0  0
141388  1  0  0  0
141389  1  0  0  0
142390  1  0  0  0
143144  1  0  0  0
143391  1  0  0  0
144146  1  0  0  0
144145  2  0  0  0
146149  1  0  0  0
146147  1  0  0  0
146392  1  0  0  0
147148  1  0  0  0
147393  1  0  0  0
147394  1  0  0  0
148395  1  0  0  0
149396  1  0  0  0
149397  1  0  0  0
150152  1  0  0  0
150151  2  0  0  0
152153  1  0  0  0
152398  1  0  0  0
153162  1  0  0  0
153154  1  0  0  0
153399  1  0  0  0
154155  1  0  0  0
154400  1  0  0  0
154401  1  0  0  0
155156  2  0  0  0
155160  1  0  0  0
156157  1  0  0  0
156402  1  0  0  0
157158  2  0  0  0
157403  1  0  0  0
158159  1  0  0  0
158161  1  0  0  0
159160  2  0  0  0
159404  1  0  0  0
160405  1  0  0  0
161406  1  0  0  0
162164  1  0  0  0
162163  2  0  0  0
164168  1  0  0  0
164165  1  0  0  0
165166  1  0  0  0
165407  1  0  0  0
165408  1  0  0  0
166167  1  0  0  0
166409  1  0  0  0
166410  1  0  0  0
167168  1  0  0  0
167411  1  0  0  0
167412  1  0  0  0
168169  1  0  0  0
168413  1  0  0  0
169171  1  0  0  0
169170  2  0  0  0
171172  1  0  0  0
171414  1  0  0  0
172180  1  0  0  0
172173  1  0  0  0
172415  1  0  0  0
173174  1  0  0  0
173416  1  0  0  0
173417  1  0  0  0
174175  1  0  0  0
174418  1  0  0  0
174419  1  0  0  0
175176  1  0  0  0
175420  1  0  0  0
175421  1  0  0  0
176177  2  0  0  0
177179  1  0  0  0
177178  1  0  0  0
178422  1  0  0  0
178423  1  0  0  0
179424  1  0  0  0
179425  1  0  0  0
180182  1  0  0  0
180181  2  0  0  0
182183  1  0  0  0
182426  1  0  0  0
183187  1  0  0  0
183184  1  0  0  0
183427  1  0  0  0
184186  1  0  0  0
184185  1  0  0  0
184428  1  0  0  0
185429  1  0  0  0
185430  1  0  0  0
185431  1  0  0  0
186432  1  0  0  0
187189  1  0  0  0
187188  2  0  0  0
189190  1  0  0  0
189433  1  0  0  0
190195  1  0  0  0
190191  1  0  0  0
190434  1  0  0  0
191192  1  0  0  0
191435  1  0  0  0
191436  1  0  0  0
192194  1  0  0  0
192193  2  0  0  0
194437  1  0  0  0
194438  1  0  0  0
195197  1  0  0  0
195196  2  0  0  0
197198  1  0  0  0
197439  1  0  0  0
198202  1  0  0  0
198199  1  0  0  0
198440  1  0  0  0
199201  1  0  0  0
199200  1  0  0  0
199441  1  0  0  0
200442  1  0  0  0
200443  1  0  0  0
200444  1  0  0  0
201445  1  0  0  0
202204  1  0  0  0
202203  2  0  0  0
204205  1  0  0  0
204446  1  0  0  0
205206  1  0  0  0
205447  1  0  0  0
205448  1  0  0  0
206208  1  0  0  0
206207  2  0  0  0
208209  1  0  0  0
208449  1  0  0  0
209212  1  0  0  0
209210  1  0  0  0
209450  1  0  0  0
210211  1  0  0  0
210451  1  0  0  0
210452  1  0  0  0
211453  1  0  0  0
212214  1  0  0  0
212213  2  0  0  0
214215  1  0  0  0
214454  1  0  0  0
215216  1  0  0  0
215455  1  0  0  0
215456  1  0  0  0
216218  1  0  0  0
216217  2  0  0  0
218219  1  0  0  0
218457  1  0  0  0
219223  1  0  0  0
219220  1  0  0  0
219458  1  0  0  0
220222  1  0  0  0
220221  1  0  0  0
220459  1  0  0  0
221460  1  0  0  0
221461  1  0  0  0
221462  1  0  0  0
222463  1  0  0  0
223225  1  0  0  0
223224  2  0  0  0
225229  1  0  0  0
225226  1  0  0  0
226227  1  0  0  0
226464  1  0  0  0
226465  1  0  0  0
227228  1  0  0  0
227466  1  0  0  0
227467  1  0  0  0
228229  1  0  0  0
228468  1  0  0  0
228469  1  0  0  0
229230  1  0  0  0
229470  1  0  0  0
230232  1  0  0  0
230231  2  0  0  0
232471  1  0  0  0
232472  1  0  0  0
233234  1  0  0  0
233473  1  0  0  0
233474  1  0  0  0
234235  1  0  0  0
234475  1  0  0  0
234476  1  0  0  0
235237  1  0  0  0
235236  2  0  0  0
237477  1  0  0  0
237478  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2369895

>  <PubChem CID>
73351528

>  <Formula>
C144H241N43O48S2

>  <Molecular Weight>
3406.885000

>  <IUPAC Name>


>  <XlogP>
-18.7

>  <Hydrogen Bond Donors>
52

>  <Hydrogen Bond Acceptors>
54

>  <Canonical SMILES>
CC(C)CC1C(=O)NC(C(=O)NC(CCCNC(=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)CCC(=O)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@H](CC3=CC=C(C=C3)O)NC(=O)[C@@H]4CCCNC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CCC(=O)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/C144H241N43O48S2/c1-65(2)47-85(174-139(231)110(70(11)12)182-136(228)98(64-237)180-141(233)113(73(15)194)185-135(227)97(62-191)179-129(221)89(51-69(9)10)171-130(222)90(53-103(150)199)172-134(226)95(60-189)177-116(208)77(147)63-236)117(209)157-56-106(202)160-78(25-17-19-41-145)119(211)168-88(50-68(7)8)128(220)178-96(61-190)133(225)166-83(36-39-102(149)198)123(215)164-84(37-40-109(205)206)124(216)170-87(49-67(5)6)127(219)173-92-55-105(201)155-43-21-27-80(162-122(214)82(35-38-101(148)197)165-126(218)86(48-66(3)4)169-120(212)79(163-131(92)223)26-18-20-42-146)121(213)176-93(52-75-31-33-76(196)34-32-75)142(234)187-46-24-30-100(187)137(229)167-81(28-22-44-156-144(153)154)125(217)184-112(72(14)193)140(232)175-91(54-104(151)200)132(224)183-111(71(13)192)138(230)159-57-107(203)161-94(59-188)118(210)158-58-108(204)181-114(74(16)195)143(235)186-45-23-29-99(186)115(152)207/h31-34,65-74,77-100,110-114,188-196,236-237H,17-30,35-64,145-147H2,1-16H3,(H2,148,197)(H2,149,198)(H2,150,199)(H2,151,200)(H2,152,207)(H,155,201)(H,157,209)(H,158,210)(H,159,230)(H,160,202)(H,161,203)(H,162,214)(H,163,223)(H,164,215)(H,165,218)(H,166,225)(H,167,229)(H,168,211)(H,169,212)(H,170,216)(H,171,222)(H,172,226)(H,173,219)(H,174,231)(H,175,232)(H,176,213)(H,177,208)(H,178,220)(H,179,221)(H,180,233)(H,181,204)(H,182,228)(H,183,224)(H,184,217)(H,185,227)(H,205,206)(H4,153,154,156)/t71-,72-,73-,74-,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99-,100-,110+,111+,112+,113+,114+/m1/s1

>  <InChI Key>
PPKRHPCXCVMULC-IFCDPWAYSA-N

