
 Neuropeptide Y(NPY)(13-36)

420425  0  0  0  0  0  0  0  0999 V2000
   12.9168    2.4924   -7.8812 C   0  0  0  0  0
   11.7800    3.3292   -7.3102 C   0  0  0  0  0
   11.0530    2.6694   -6.1110 C   0  0  0  0  0
   12.0074    2.4282   -4.9357 C   0  0  0  0  0
    9.7682    3.4857   -5.7600 C   0  0  0  0  0
    8.5664    2.9199   -6.5556 C   0  0  0  0  0
    8.1787    3.5382   -7.5578 O   0  0  0  0  0
    7.9727    1.7152   -6.3595 N   0  0  0  0  0
    7.8332    0.7465   -5.2475 C   0  0  0  0  0
    9.1087    0.2804   -4.5571 C   0  0  0  0  0
    8.9164   -1.1076   -3.9826 C   0  0  0  0  0
    8.6006   -1.3267   -2.8186 O   0  0  0  0  0
    9.1152   -2.1346   -4.8592 N   0  0  0  0  0
    6.8392    1.3709   -4.2613 C   0  0  0  0  0
    7.1909    2.3206   -3.5545 O   0  0  0  0  0
    5.5290    1.0051   -4.2208 N   0  0  0  0  0
    4.7874   -0.1034   -4.8473 C   0  0  0  0  0
    4.6949    0.0325   -6.3777 C   0  0  0  0  0
    3.6570   -0.9054   -7.0328 C   0  0  0  0  0
    2.2198   -0.5471   -6.6502 C   0  0  0  0  0
    3.8077   -0.8540   -8.5563 C   0  0  0  0  0
    5.4014   -1.4271   -4.3663 C   0  0  0  0  0
    6.1123   -2.1000   -5.1223 O   0  0  0  0  0
    5.3514   -1.8012   -3.0529 N   0  0  0  0  0
    4.1998   -1.8836   -2.1269 C   0  0  0  0  0
    3.4213   -0.5893   -1.7973 C   0  0  0  0  0
    2.1871   -0.8887   -0.9278 C   0  0  0  0  0
    4.3524    0.3964   -1.0510 C   0  0  0  0  0
    3.7633    1.7905   -0.8877 C   0  0  0  0  0
    3.3637   -3.0477   -2.6837 C   0  0  0  0  0
    2.5251   -2.8560   -3.5711 O   0  0  0  0  0
    3.6461   -4.3428   -2.3476 N   0  0  0  0  0
    4.4542   -4.9611   -1.2630 C   0  0  0  0  0
    5.9130   -4.4505   -1.0821 C   0  0  0  0  0
    6.7949   -5.4305   -0.3168 C   0  0  0  0  0
    6.5363   -4.2108   -2.3510 O   0  0  0  0  0
    3.6607   -4.7916    0.0453 C   0  0  0  0  0
    3.4198   -3.6649    0.4910 O   0  0  0  0  0
    3.1734   -5.8400    0.7619 N   0  0  0  0  0
    3.0764   -7.2818    0.4943 C   0  0  0  0  0
    2.1528   -7.5919   -0.6963 C   0  0  0  0  0
    1.7045   -9.0604   -0.6842 C   0  0  0  0  0
    0.7937   -9.3947   -1.8648 C   0  0  0  0  0
    0.4384  -10.8001   -1.8328 N   0  0  0  0  0
   -0.5597  -11.3388   -1.1009 C   0  0  0  0  0
   -1.2862  -10.7876   -0.2034 N   0  0  0  0  0
   -0.7447  -12.6387   -1.3977 N   0  0  0  0  0
    4.4737   -7.9013    0.3634 C   0  0  0  0  0
    4.8774   -8.3497   -0.7147 O   0  0  0  0  0
    5.3805   -7.8834    1.3742 N   0  0  0  0  0
    5.2798   -7.9583    2.8441 C   0  0  0  0  0
    4.2040   -7.1045    3.5152 C   0  0  0  0  0
    4.4176   -6.9996    5.0273 C   0  0  0  0  0
    3.3511   -6.1271    5.6427 C   0  0  0  0  0
    3.5090   -4.9354    5.8769 O   0  0  0  0  0
    2.1557   -6.7404    5.8662 N   0  0  0  0  0
    5.1486   -9.4541    3.1816 C   0  0  0  0  0
    4.0374   -9.9813    3.2879 O   0  0  0  0  0
    6.2395  -10.2772    3.2397 N   0  0  0  0  0
    7.6870  -10.0147    3.3928 C   0  0  0  0  0
    8.2993   -9.1247    2.2995 C   0  0  0  0  0
    9.8261   -9.2172    2.2394 C   0  0  0  0  0
   10.4049   -8.2534    1.2021 C   0  0  0  0  0
   11.8482   -8.3796    1.1416 N   0  0  0  0  0
   12.5019   -9.4174    0.5763 C   0  0  0  0  0
   12.0595  -10.2915   -0.2473 N   0  0  0  0  0
   13.7889   -9.4682    0.9670 N   0  0  0  0  0
    7.9072   -9.4612    4.8125 C   0  0  0  0  0
    7.6191   -8.2891    5.0778 O   0  0  0  0  0
    8.2937  -10.2431    5.8555 N   0  0  0  0  0
    8.8105  -11.6203    5.9594 C   0  0  0  0  0
    7.8677  -12.7207    5.4542 C   0  0  0  0  0
    8.3857  -14.1095    5.7544 C   0  0  0  0  0
    8.1677  -14.6986    7.0066 C   0  0  0  0  0
    8.6908  -15.9614    7.2899 C   0  0  0  0  0
    9.4328  -16.6352    6.3272 C   0  0  0  0  0
    9.6587  -16.0694    5.0781 C   0  0  0  0  0
    9.1343  -14.8074    4.7924 C   0  0  0  0  0
    9.9301  -17.8620    6.6520 O   0  0  0  0  0
   10.1943  -11.7072    5.3237 C   0  0  0  0  0
   10.4468  -11.5601    4.1392 O   0  0  0  0  0
   11.1839  -11.8958    6.2166 O   0  0  0  0  0
    9.4948    3.6678   -4.3403 N   0  0  0  0  0
    9.6149    4.7503   -3.5287 C   0  0  0  0  0
    9.1153    4.6514   -2.3962 O   0  0  0  0  0
   10.1499    6.1382   -3.9535 C   0  0  0  0  0
   11.2926    6.2329   -4.9637 C   0  0  0  0  0
   12.2145    7.3971   -4.6538 C   0  0  0  0  0
   13.2157    7.2580   -3.6780 C   0  0  0  0  0
   14.0478    8.3312   -3.3627 C   0  0  0  0  0
   13.8792    9.5455   -4.0147 C   0  0  0  0  0
   12.9002    9.7001   -4.9899 C   0  0  0  0  0
   12.0622    8.6280   -5.3052 C   0  0  0  0  0
   14.7015   10.5719   -3.6593 O   0  0  0  0  0
    8.9831    6.9460   -4.3278 N   0  0  0  0  0
    8.0520    7.5472   -3.5270 C   0  0  0  0  0
    6.9992    7.8675   -4.0930 O   0  0  0  0  0
    8.3431    8.0426   -2.0761 C   0  0  0  0  0
    7.0108    8.1355   -1.2963 C   0  0  0  0  0
    7.1896    8.7641    0.0467 C   0  0  0  0  0
    7.1866   10.0803    0.4558 C   0  0  0  0  0
    7.4822   10.1729    1.7891 N   0  0  0  0  0
    7.5923    8.9362    2.2133 C   0  0  0  0  0
    7.4173    8.0425    1.1947 N   0  0  0  0  0
    9.3098    7.2611   -1.3063 N   0  0  0  0  0
   10.5186    7.5352   -0.7628 C   0  0  0  0  0
   11.1282    6.5414   -0.3389 O   0  0  0  0  0
   11.1267    8.9403   -0.4969 C   0  0  0  0  0
   10.6987   10.1377   -1.3443 C   0  0  0  0  0
   11.6733   11.3116   -1.1924 C   0  0  0  0  0
   11.2139   12.5614   -1.9413 C   0  0  0  0  0
   12.2961   13.5368   -1.9822 N   0  0  0  0  0
   13.3263   13.4680   -2.8544 C   0  0  0  0  0
   13.3380   12.9227   -4.0177 N   0  0  0  0  0
   14.4420   14.0448   -2.3783 N   0  0  0  0  0
   10.9398    9.2196    0.9305 N   0  0  0  0  0
   11.7128    8.8514    1.9937 C   0  0  0  0  0
   11.1446    8.6941    3.0799 O   0  0  0  0  0
   13.2472    8.6359    1.8897 C   0  0  0  0  0
   13.6253    7.3190    1.1969 C   0  0  0  0  0
   15.0626    6.8315    1.4774 C   0  0  0  0  0
   15.2357    6.3304    2.9132 C   0  0  0  0  0
   15.4255    5.7051    0.5040 C   0  0  0  0  0
   13.8782    9.7977    1.2463 N   0  0  0  0  0
   14.2255   10.9889    1.8246 C   0  0  0  0  0
   14.0522   12.0190    1.1673 O   0  0  0  0  0
   14.8081   11.0588    3.2544 C   0  0  0  0  0
   13.7427   10.9860    4.3353 C   0  0  0  0  0
   15.8361   10.0226    3.4160 N   0  0  0  0  0
   17.1677   10.2140    3.1794 C   0  0  0  0  0
   17.7307    9.3963    2.4432 O   0  0  0  0  0
   18.0153   11.1599    4.0518 C   0  0  0  0  0
   17.5522   12.6017    4.2410 C   0  0  0  0  0
   16.5753   12.7214    5.2722 O   0  0  0  0  0
   18.1875   10.4704    5.3417 N   0  0  0  0  0
   19.2036    9.6671    5.7696 C   0  0  0  0  0
   18.9355    8.7973    6.6021 O   0  0  0  0  0
   20.6527    9.8301    5.2587 C   0  0  0  0  0
   20.8278    9.2202    3.8608 C   0  0  0  0  0
   22.1456    8.4864    3.7475 C   0  0  0  0  0
   22.1862    7.0899    3.8795 C   0  0  0  0  0
   23.4018    6.4063    3.8145 C   0  0  0  0  0
   24.5786    7.1220    3.6256 C   0  0  0  0  0
   24.5577    8.5057    3.4996 C   0  0  0  0  0
   23.3424    9.1892    3.5558 C   0  0  0  0  0
   25.7870    6.4949    3.5595 O   0  0  0  0  0
   21.0241   11.2512    5.3178 N   0  0  0  0  0
   21.2374   11.8909    6.5080 C   0  0  0  0  0
   20.5160   12.8590    6.7636 O   0  0  0  0  0
   22.3411   11.4371    7.4786 C   0  0  0  0  0
   21.9276   10.3265    8.4536 C   0  0  0  0  0
   22.9546   10.1916    9.5608 C   0  0  0  0  0
   22.9430   11.0727   10.6519 C   0  0  0  0  0
   23.9602   11.0293   11.6082 C   0  0  0  0  0
   24.9848   10.0983   11.4781 C   0  0  0  0  0
   25.0003    9.2021   10.4175 C   0  0  0  0  0
   23.9884    9.2484    9.4580 C   0  0  0  0  0
   26.0102   10.0410   12.3746 O   0  0  0  0  0
   23.5631   11.1111    6.7398 N   0  0  0  0  0
   24.6585   11.8670    6.4576 C   0  0  0  0  0
   25.4934   11.3735    5.6920 O   0  0  0  0  0
   24.8250   13.3407    6.9118 C   0  0  0  0  0
   23.8922   14.2496    6.0941 C   0  0  0  0  0
   24.2005   15.7394    6.2775 C   0  0  0  0  0
   23.1182   16.6121    5.6418 C   0  0  0  0  0
   23.3578   18.0056    5.9557 N   0  0  0  0  0
   24.1592   18.8318    5.2522 C   0  0  0  0  0
   24.9903   18.5456    4.3233 N   0  0  0  0  0
   24.0188   20.1104    5.6471 N   0  0  0  0  0
   24.6403   13.5956    8.3407 N   0  0  0  0  0
   25.5246   13.9291    9.3144 C   0  0  0  0  0
   25.0456   14.2252   10.4155 O   0  0  0  0  0
   27.0453   13.9772    9.0645 C   0  0  0  0  0
   27.4426   15.1673    8.1972 C   0  0  0  0  0
   27.6568   14.1469   10.3898 N   0  0  0  0  0
   28.7879   13.6723   10.9614 C   0  0  0  0  0
   29.0317   14.0306   12.1187 O   0  0  0  0  0
   29.6771   12.6012   10.2987 C   0  0  0  0  0
   29.0190   11.2277   10.5198 C   0  0  0  0  0
   29.9776   10.0296   10.3682 C   0  0  0  0  0
   31.0225    9.9774   11.4864 C   0  0  0  0  0
   29.1722    8.7266   10.3752 C   0  0  0  0  0
   29.9424   12.8457    8.8814 N   0  0  0  0  0
   30.8537   13.6568    8.2786 C   0  0  0  0  0
   30.6479   13.9590    7.0999 O   0  0  0  0  0
   32.1169   14.1587    8.9998 C   0  0  0  0  0
   31.8213   15.1178   10.1465 C   0  0  0  0  0
   32.8886   16.1750   10.1951 C   0  0  0  0  0
   34.0042   16.1056    9.7031 O   0  0  0  0  0
   32.5003   17.2643   10.8820 O   0  0  0  0  0
   32.8974   12.9883    9.4040 N   0  0  0  0  0
   33.7510   12.2831    8.6058 C   0  0  0  0  0
   33.7025   11.0529    8.7000 O   0  0  0  0  0
   34.8075   12.9643    7.7023 C   0  0  0  0  0
   34.2512   13.7425    6.5100 C   0  0  0  0  0
   35.2434   13.7957    5.3494 C   0  0  0  0  0
   34.6288   14.4981    4.1737 C   0  0  0  0  0
   34.1409   13.9658    3.1916 O   0  0  0  0  0
   34.6153   15.8369    4.3121 O   0  0  0  0  0
   35.6547   13.7948    8.5569 N   0  0  0  0  0
   36.7108   13.3714    9.3186 C   0  0  0  0  0
   36.8884   13.9347   10.4040 O   0  0  0  0  0
   37.6172   12.1828    8.9009 C   0  0  0  0  0
   37.0055   10.8479    9.3073 C   0  0  0  0  0
   37.9640   12.2030    7.4833 N   0  0  0  0  0
   38.9790   12.8249    6.8276 C   0  0  0  0  0
   38.9178   12.8102    5.5908 O   0  0  0  0  0
   40.2119   13.4328    7.5258 C   0  0  0  0  0
   40.0276   14.3919    8.6957 C   0  0  0  0  0
   40.8411   13.7827    9.8331 C   0  0  0  0  0
   41.8692   12.9368    9.1101 C   0  0  0  0  0
   41.0864   12.3483    8.0273 N   0  0  0  0  0
   13.3069    2.9631   -8.7897 H   0  0  0  0  0
   12.5733    1.4868   -8.1425 H   0  0  0  0  0
   13.7470    2.4060   -7.1745 H   0  0  0  0  0
   11.0561    3.5056   -8.1155 H   0  0  0  0  0
   12.1764    4.3090   -7.0239 H   0  0  0  0  0
   10.7467    1.6823   -6.4725 H   0  0  0  0  0
   12.5099    3.3428   -4.6148 H   0  0  0  0  0
   12.7854    1.7082   -5.2101 H   0  0  0  0  0
   11.4888    2.0047   -4.0715 H   0  0  0  0  0
    9.8808    4.4952   -6.1607 H   0  0  0  0  0
    7.2301    1.6299   -7.0465 H   0  0  0  0  0
    7.3841   -0.1194   -5.7253 H   0  0  0  0  0
    9.4259    0.9332   -3.7404 H   0  0  0  0  0
    9.9350    0.2089   -5.2680 H   0  0  0  0  0
    9.0185   -1.9935   -5.8565 H   0  0  0  0  0
    8.8210   -3.0476   -4.5321 H   0  0  0  0  0
    5.0122    1.5543   -3.5448 H   0  0  0  0  0
    3.7752   -0.0294   -4.4640 H   0  0  0  0  0
    5.6644   -0.1686   -6.8414 H   0  0  0  0  0
    4.4492    1.0726   -6.6314 H   0  0  0  0  0
    3.8499   -1.9373   -6.7156 H   0  0  0  0  0
    1.9958    0.4989   -6.8853 H   0  0  0  0  0
    2.0359   -0.7038   -5.5837 H   0  0  0  0  0
    1.5060   -1.1751   -7.1943 H   0  0  0  0  0
    3.6279    0.1562   -8.9397 H   0  0  0  0  0
    3.0985   -1.5329   -9.0415 H   0  0  0  0  0
    4.8160   -1.1572   -8.8581 H   0  0  0  0  0
    5.9186   -2.6457   -2.9741 H   0  0  0  0  0
    4.6251   -2.1984   -1.1775 H   0  0  0  0  0
    3.0397   -0.1204   -2.7023 H   0  0  0  0  0
    2.4750   -1.2700    0.0564 H   0  0  0  0  0
    1.5263   -1.6223   -1.3988 H   0  0  0  0  0
    1.5884    0.0144   -0.7727 H   0  0  0  0  0
    5.3063    0.4888   -1.5792 H   0  0  0  0  0
    4.5972   -0.0018   -0.0579 H   0  0  0  0  0
    3.4546    2.2048   -1.8521 H   0  0  0  0  0
    4.5106    2.4627   -0.4537 H   0  0  0  0  0
    2.8983    1.7865   -0.2184 H   0  0  0  0  0
    3.0501   -4.9810   -2.8592 H   0  0  0  0  0
    4.4966   -6.0109   -1.5528 H   0  0  0  0  0
    5.9385   -3.5115   -0.5241 H   0  0  0  0  0
    6.8424   -6.3988   -0.8247 H   0  0  0  0  0
    6.4371   -5.5654    0.7061 H   0  0  0  0  0
    7.8251   -5.0605   -0.2645 H   0  0  0  0  0
    7.4332   -3.8618   -2.1731 H   0  0  0  0  0
    2.6287   -5.5041    1.5501 H   0  0  0  0  0
    2.6079   -7.7190    1.3794 H   0  0  0  0  0
    2.6453   -7.3657   -1.6483 H   0  0  0  0  0
    1.2624   -6.9521   -0.6436 H   0  0  0  0  0
    1.1855   -9.2724    0.2585 H   0  0  0  0  0
    2.5787   -9.7222   -0.7089 H   0  0  0  0  0
    1.3269   -9.1917   -2.8008 H   0  0  0  0  0
   -0.1038   -8.7659   -1.8663 H   0  0  0  0  0
    0.5546  -11.2676   -2.7262 H   0  0  0  0  0
   -1.0206   -9.8098   -0.1004 H   0  0  0  0  0
   -1.4045  -13.0397   -0.7372 H   0  0  0  0  0
    0.1194  -13.1657   -1.3945 H   0  0  0  0  0
    6.2217   -8.3133    1.0155 H   0  0  0  0  0
    6.2347   -7.5858    3.2076 H   0  0  0  0  0
    3.2028   -7.5054    3.3350 H   0  0  0  0  0
    4.2325   -6.0907    3.1023 H   0  0  0  0  0
    5.3928   -6.5555    5.2561 H   0  0  0  0  0
    4.3901   -7.9863    5.5029 H   0  0  0  0  0
    2.0317   -7.7419    5.8018 H   0  0  0  0  0
    1.4304   -6.1941    6.3143 H   0  0  0  0  0
    5.9467  -11.2268    3.4422 H   0  0  0  0  0
    8.1560  -10.9925    3.2980 H   0  0  0  0  0
    8.0419   -8.0732    2.4444 H   0  0  0  0  0
    7.9069   -9.4352    1.3243 H   0  0  0  0  0
   10.1126  -10.2438    1.9853 H   0  0  0  0  0
   10.2572   -8.9913    3.2220 H   0  0  0  0  0
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174381  1  0  0  0
174382  1  0  0  0
174383  1  0  0  0
175176  1  0  0  0
175384  1  0  0  0
176178  1  0  0  0
176177  2  0  0  0
178183  1  0  0  0
178179  1  0  0  0
178385  1  0  0  0
179180  1  0  0  0
179386  1  0  0  0
179387  1  0  0  0
180182  1  0  0  0
180181  1  0  0  0
180388  1  0  0  0
181389  1  0  0  0
181390  1  0  0  0
181391  1  0  0  0
182392  1  0  0  0
182393  1  0  0  0
182394  1  0  0  0
183184  1  0  0  0
183395  1  0  0  0
184186  1  0  0  0
184185  2  0  0  0
186191  1  0  0  0
186187  1  0  0  0
186396  1  0  0  0
187188  1  0  0  0
187397  1  0  0  0
187398  1  0  0  0
188190  1  0  0  0
188189  2  0  0  0
190399  1  0  0  0
191192  1  0  0  0
191400  1  0  0  0
192194  1  0  0  0
192193  2  0  0  0
194200  1  0  0  0
194195  1  0  0  0
194401  1  0  0  0
195196  1  0  0  0
195402  1  0  0  0
195403  1  0  0  0
196197  1  0  0  0
196404  1  0  0  0
196405  1  0  0  0
197199  1  0  0  0
197198  2  0  0  0
199406  1  0  0  0
200201  1  0  0  0
200407  1  0  0  0
201203  1  0  0  0
201202  2  0  0  0
203205  1  0  0  0
203204  1  0  0  0
203408  1  0  0  0
204409  1  0  0  0
204410  1  0  0  0
204411  1  0  0  0
205206  1  0  0  0
205412  1  0  0  0
206208  1  0  0  0
206207  2  0  0  0
208212  1  0  0  0
208209  1  0  0  0
208413  1  0  0  0
209210  1  0  0  0
209414  1  0  0  0
209415  1  0  0  0
210211  1  0  0  0
210416  1  0  0  0
210417  1  0  0  0
211212  1  0  0  0
211418  1  0  0  0
211419  1  0  0  0
212420  1  0  0  0
M  END

>  <Chemical Name>
Neuropeptide Y(NPY)(13-36)

>  <PubChem CID>
91929182

>  <Formula>
C135H208N40O37

>  <Molecular Weight>
2983.392000

>  <IUPAC Name>


>  <XlogP>
-5.9

>  <Hydrogen Bond Donors>
48

>  <Hydrogen Bond Acceptors>
43

>  <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)O)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)C(C)NC(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C6CCCN6

>  <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)O)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](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]6CCCN6

>  <InChI Std. ID>
InChI=1S/C135H208N40O37/c1-15-68(9)105(128(208)170-97(60-102(137)183)123(203)164-92(54-67(7)8)125(205)174-106(69(10)16-2)129(209)175-107(73(14)177)130(210)161-87(26-21-51-151-135(144)145)112(192)160-88(43-45-101(136)182)116(196)158-86(25-20-50-150-134(142)143)115(195)171-99(131(211)212)58-77-33-41-82(181)42-34-77)173-126(206)95(57-76-31-39-81(180)40-32-76)167-122(202)96(59-78-62-146-64-152-78)168-114(194)85(24-19-49-149-133(140)141)159-119(199)91(53-66(5)6)162-110(190)72(13)155-127(207)100(63-176)172-121(201)94(56-75-29-37-80(179)38-30-75)166-120(200)93(55-74-27-35-79(178)36-28-74)165-113(193)84(23-18-48-148-132(138)139)156-108(188)71(12)154-118(198)90(52-65(3)4)163-124(204)98(61-104(186)187)169-117(197)89(44-46-103(184)185)157-109(189)70(11)153-111(191)83-22-17-47-147-83/h27-42,62,64-73,83-100,105-107,147,176-181H,15-26,43-61,63H2,1-14H3,(H2,136,182)(H2,137,183)(H,146,152)(H,153,191)(H,154,198)(H,155,207)(H,156,188)(H,157,189)(H,158,196)(H,159,199)(H,160,192)(H,161,210)(H,162,190)(H,163,204)(H,164,203)(H,165,193)(H,166,200)(H,167,202)(H,168,194)(H,169,197)(H,170,208)(H,171,195)(H,172,201)(H,173,206)(H,174,205)(H,175,209)(H,184,185)(H,186,187)(H,211,212)(H4,138,139,148)(H4,140,141,149)(H4,142,143,150)(H4,144,145,151)/t68-,69-,70-,71-,72-,73+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105-,106-,107-/m0/s1

>  <InChI Key>
BJKPGURDHQQYOX-QGTLAHJGSA-N

