
 GHRH(1-44)

712714  0  0  0  0  0  0  0  0999 V2000
   38.4693   32.0704  -16.2699 C   0  0  0  0  0
   37.1773   31.8596  -15.4966 C   0  0  0  0  0
   36.8217   30.4036  -15.4184 C   0  0  0  0  0
   37.0852   29.6358  -14.3490 C   0  0  0  0  0
   36.7614   28.1705  -14.2519 C   0  0  0  0  0
   38.0155   27.3455  -14.4865 C   0  0  0  0  0
   38.4236   27.1254  -15.6318 O   0  0  0  0  0
   38.7576   26.8449  -13.4652 N   0  0  0  0  0
   38.6030   26.8437  -11.9992 C   0  0  0  0  0
   38.3735   28.2342  -11.3816 C   0  0  0  0  0
   38.6220   28.2712   -9.8892 C   0  0  0  0  0
   39.9073   28.5167   -9.3874 C   0  0  0  0  0
   40.1403   28.5125   -8.0111 C   0  0  0  0  0
   39.0915   28.2627   -7.1351 C   0  0  0  0  0
   37.8077   28.0207   -7.6120 C   0  0  0  0  0
   37.5744   28.0253   -8.9887 C   0  0  0  0  0
   39.3641   28.2586   -5.7985 O   0  0  0  0  0
   37.5050   25.8428  -11.5993 C   0  0  0  0  0
   36.3109   26.1651  -11.6008 O   0  0  0  0  0
   37.7719   24.5358  -11.3310 N   0  0  0  0  0
   39.0053   23.7434  -11.2396 C   0  0  0  0  0
   39.8665   23.7634  -12.4945 C   0  0  0  0  0
   39.8319   24.1105   -9.9937 C   0  0  0  0  0
   40.1943   25.2708   -9.7830 O   0  0  0  0  0
   40.2381   23.1890   -9.0834 N   0  0  0  0  0
   39.8980   21.7731   -8.8642 C   0  0  0  0  0
   38.4022   21.5459   -8.6662 C   0  0  0  0  0
   38.1954   20.2760   -7.8968 C   0  0  0  0  0
   37.8046   19.2137   -8.3462 O   0  0  0  0  0
   38.4980   20.4077   -6.5917 O   0  0  0  0  0
   40.4793   20.9157   -9.9986 C   0  0  0  0  0
   39.8187   20.6545  -11.0084 O   0  0  0  0  0
   41.7814   20.5240  -10.0005 N   0  0  0  0  0
   42.8406   20.5466   -8.9806 C   0  0  0  0  0
   43.1555   21.9233   -8.4128 C   0  0  0  0  0
   42.5621   19.5193   -7.8634 C   0  0  0  0  0
   41.4113   19.2972   -7.4698 O   0  0  0  0  0
   43.5708   18.9077   -7.1801 N   0  0  0  0  0
   44.9408   18.5348   -7.5812 C   0  0  0  0  0
   45.0092   17.3553   -8.5960 C   0  0  0  0  0
   44.3910   17.6243   -9.9686 C   0  0  0  0  0
   46.4684   16.8553   -8.7252 C   0  0  0  0  0
   46.5992   15.5092   -9.4255 C   0  0  0  0  0
   45.8564   19.7401   -7.8893 C   0  0  0  0  0
   45.9690   20.1965   -9.0291 O   0  0  0  0  0
   46.5034   20.4056   -6.8897 N   0  0  0  0  0
   46.6983   20.0926   -5.4701 C   0  0  0  0  0
   45.3947   20.0194   -4.6550 C   0  0  0  0  0
   45.6286   20.3889   -3.2040 C   0  0  0  0  0
   45.5778   21.7300   -2.7979 C   0  0  0  0  0
   45.8291   22.0761   -1.4694 C   0  0  0  0  0
   46.1359   21.0877   -0.5361 C   0  0  0  0  0
   46.1925   19.7523   -0.9305 C   0  0  0  0  0
   45.9418   19.4034   -2.2584 C   0  0  0  0  0
   47.5971   18.8479   -5.3011 C   0  0  0  0  0
   47.1267   17.7555   -4.9681 O   0  0  0  0  0
   48.9483   18.9068   -5.4873 N   0  0  0  0  0
   49.7883   19.8106   -6.3079 C   0  0  0  0  0
   49.6494   19.5177   -7.8193 C   0  0  0  0  0
   50.6835   20.2570   -8.6653 C   0  0  0  0  0
   49.8165   18.1039   -8.0389 O   0  0  0  0  0
   49.5867   21.2887   -5.9489 C   0  0  0  0  0
   48.8788   22.0214   -6.6500 O   0  0  0  0  0
   50.0474   21.8188   -4.7782 N   0  0  0  0  0
   51.1025   21.3768   -3.8339 C   0  0  0  0  0
   50.9431   19.9519   -3.3127 C   0  0  0  0  0
   51.8041   19.7229   -2.0974 C   0  0  0  0  0
   53.0165   19.5547   -2.1616 O   0  0  0  0  0
   51.1437   19.6954   -0.9059 N   0  0  0  0  0
   52.4550   21.5850   -4.5382 C   0  0  0  0  0
   52.7561   20.9030   -5.5254 O   0  0  0  0  0
   53.3106   22.5851   -4.1956 N   0  0  0  0  0
   53.2634   23.6840   -3.2133 C   0  0  0  0  0
   52.0732   24.6457   -3.3527 C   0  0  0  0  0
   52.4571   25.8274   -4.0610 O   0  0  0  0  0
   53.3886   23.1954   -1.7661 C   0  0  0  0  0
   52.5295   22.4631   -1.2655 O   0  0  0  0  0
   54.4208   23.5538   -0.9586 N   0  0  0  0  0
   55.4794   24.5748   -1.0500 C   0  0  0  0  0
   56.4889   24.4164   -2.1995 C   0  0  0  0  0
   57.7229   25.2656   -1.9646 C   0  0  0  0  0
   58.7834   24.7781   -1.1890 C   0  0  0  0  0
   59.8768   25.5945   -0.8950 C   0  0  0  0  0
   59.9133   26.8982   -1.3733 C   0  0  0  0  0
   58.8810   27.3963   -2.1601 C   0  0  0  0  0
   57.7874   26.5790   -2.4562 C   0  0  0  0  0
   60.9830   27.6701   -1.0300 O   0  0  0  0  0
   54.8220   25.9665   -1.0438 C   0  0  0  0  0
   54.2256   26.3885   -2.0430 O   0  0  0  0  0
   54.7849   26.7404    0.0744 N   0  0  0  0  0
   55.2007   26.4935    1.4670 C   0  0  0  0  0
   54.4476   25.3078    2.0948 C   0  0  0  0  0
   54.4687   25.3666    3.6270 C   0  0  0  0  0
   53.8005   24.1358    4.2370 C   0  0  0  0  0
   53.7717   24.2424    5.6816 N   0  0  0  0  0
   52.7959   24.8456    6.3924 C   0  0  0  0  0
   51.8496   25.6008    5.9771 N   0  0  0  0  0
   52.9054   24.5829    7.7078 N   0  0  0  0  0
   56.7349   26.3544    1.5771 C   0  0  0  0  0
   57.2624   25.2425    1.6950 O   0  0  0  0  0
   57.5713   27.4226    1.4584 N   0  0  0  0  0
   57.3747   28.8585    1.7291 C   0  0  0  0  0
   56.3169   29.5164    0.8338 C   0  0  0  0  0
   56.4786   31.0348    0.7357 C   0  0  0  0  0
   55.3710   31.6626   -0.1134 C   0  0  0  0  0
   55.5244   33.1813   -0.1802 C   0  0  0  0  0
   54.4725   33.7572   -1.0068 N   0  0  0  0  0
   57.0590   29.0277    3.2301 C   0  0  0  0  0
   56.1240   28.4040    3.7480 O   0  0  0  0  0
   57.7237   29.8772    4.0490 N   0  0  0  0  0
   59.0319   30.5468    4.0130 C   0  0  0  0  0
   60.2532   29.6134    4.2193 C   0  0  0  0  0
   60.4985   28.5674    3.1384 C   0  0  0  0  0
   61.5333   30.4314    4.4428 C   0  0  0  0  0
   59.1877   31.6116    2.9068 C   0  0  0  0  0
   59.6003   31.3225    1.7805 O   0  0  0  0  0
   58.8201   32.9101    3.1129 N   0  0  0  0  0
   58.1808   33.5989    4.2516 C   0  0  0  0  0
   56.7899   33.0361    4.5872 C   0  0  0  0  0
   55.8965   34.0062    5.3912 C   0  0  0  0  0
   55.4411   35.2055    4.5558 C   0  0  0  0  0
   54.6659   33.2589    5.9144 C   0  0  0  0  0
   59.1291   33.6420    5.4729 C   0  0  0  0  0
   58.9848   32.9009    6.4478 O   0  0  0  0  0
   60.2306   34.4502    5.4467 N   0  0  0  0  0
   60.4344   35.6287    4.6127 C   0  0  0  0  0
   59.6540   36.8104    5.1987 C   0  0  0  0  0
   58.5781   36.6370    5.7812 O   0  0  0  0  0
   60.0596   38.0939    5.0291 N   0  0  0  0  0
   61.2859   38.6889    4.4869 C   0  0  0  0  0
   62.5548   38.2845    5.2472 C   0  0  0  0  0
   63.7060   39.2518    4.9613 C   0  0  0  0  0
   64.9913   38.7406    5.5643 C   0  0  0  0  0
   65.4364   39.1312    6.6361 O   0  0  0  0  0
   65.6145   37.7618    4.8495 N   0  0  0  0  0
   61.3983   38.4062    2.9789 C   0  0  0  0  0
   61.8533   37.3312    2.5721 O   0  0  0  0  0
   60.9257   39.2685    2.0407 N   0  0  0  0  0
   60.2105   40.5580    2.1199 C   0  0  0  0  0
   58.9118   40.4462    2.9422 C   0  0  0  0  0
   57.8599   41.5181    2.5902 C   0  0  0  0  0
   57.1459   41.1993    1.2741 C   0  0  0  0  0
   56.8234   41.6226    3.7129 C   0  0  0  0  0
   61.1495   41.6639    2.6510 C   0  0  0  0  0
   61.2802   41.8672    3.8636 O   0  0  0  0  0
   61.9690   42.3878    1.8491 N   0  0  0  0  0
   62.0608   42.5923    0.3970 C   0  0  0  0  0
   62.3381   41.3563   -0.4658 C   0  0  0  0  0
   63.7433   41.1100   -0.5597 O   0  0  0  0  0
   60.8612   43.3710   -0.1563 C   0  0  0  0  0
   59.7042   43.0345    0.1093 O   0  0  0  0  0
   61.0283   44.4170   -1.0178 N   0  0  0  0  0
   62.1527   45.3588   -1.1621 C   0  0  0  0  0
   62.5058   46.0267    0.1658 C   0  0  0  0  0
   63.4054   44.7911   -1.8768 C   0  0  0  0  0
   63.6858   43.5889   -1.8610 O   0  0  0  0  0
   64.3122   45.6316   -2.4639 N   0  0  0  0  0
   64.0468   46.8646   -3.2259 C   0  0  0  0  0
   63.0502   46.6149   -4.3724 C   0  0  0  0  0
   63.0759   47.7403   -5.4125 C   0  0  0  0  0
   62.0663   47.4878   -6.5321 C   0  0  0  0  0
   62.1153   48.5649   -7.4999 N   0  0  0  0  0
   62.9805   48.6394   -8.5333 C   0  0  0  0  0
   64.0150   47.9238   -8.7681 N   0  0  0  0  0
   62.6540   49.6320   -9.3809 N   0  0  0  0  0
   63.6382   48.0475   -2.3216 C   0  0  0  0  0
   62.4704   48.4306   -2.2386 O   0  0  0  0  0
   64.5787   48.6340   -1.5291 N   0  0  0  0  0
   66.0337   48.4366   -1.5200 C   0  0  0  0  0
   66.6748   49.3244   -2.6013 C   0  0  0  0  0
   68.1501   49.0103   -2.8477 C   0  0  0  0  0
   68.7494   49.9168   -3.9250 C   0  0  0  0  0
   70.2112   49.5573   -4.1918 C   0  0  0  0  0
   70.7731   50.4447   -5.2013 N   0  0  0  0  0
   66.4965   48.8817   -0.1221 C   0  0  0  0  0
   66.0536   49.9193    0.3840 O   0  0  0  0  0
   67.4335   48.1966    0.5865 N   0  0  0  0  0
   67.7920   46.7682    0.5746 C   0  0  0  0  0
   66.5610   45.8789    0.8402 C   0  0  0  0  0
   66.9321   44.4912    1.4081 C   0  0  0  0  0
   67.3156   44.5658    2.8889 C   0  0  0  0  0
   65.7591   43.5252    1.2445 C   0  0  0  0  0
   68.5609   46.3565   -0.7001 C   0  0  0  0  0
   67.9894   45.7915   -1.6401 O   0  0  0  0  0
   69.8697   46.6890   -0.8970 N   0  0  0  0  0
   70.9370   47.1052    0.0327 C   0  0  0  0  0
   70.5914   48.3224    0.9065 C   0  0  0  0  0
   71.8182   49.1561    1.3286 C   0  0  0  0  0
   72.2938   50.0654    0.1920 C   0  0  0  0  0
   71.4792   50.0157    2.5496 C   0  0  0  0  0
   71.3148   45.8653    0.8711 C   0  0  0  0  0
   70.5120   45.3720    1.6704 O   0  0  0  0  0
   72.4976   45.2115    0.7241 N   0  0  0  0  0
   73.6223   45.3673   -0.2098 C   0  0  0  0  0
   73.1922   45.1236   -1.6650 C   0  0  0  0  0
   74.3814   44.9939   -2.6234 C   0  0  0  0  0
   74.2146   45.8886   -3.8303 C   0  0  0  0  0
   73.9268   45.4693   -4.9465 O   0  0  0  0  0
   74.3781   47.2186   -3.5938 N   0  0  0  0  0
   74.3280   46.7209    0.0081 C   0  0  0  0  0
   74.2568   47.6169   -0.8415 O   0  0  0  0  0
   75.0007   47.0227    1.1540 N   0  0  0  0  0
   75.7064   46.1676    2.1424 C   0  0  0  0  0
   74.8323   45.1107    2.7991 C   0  0  0  0  0
   75.3351   44.7826    4.1700 C   0  0  0  0  0
   76.2234   43.9920    4.4385 O   0  0  0  0  0
   74.7087   45.4900    5.1271 O   0  0  0  0  0
   76.9148   45.5383    1.4221 C   0  0  0  0  0
   76.7404   44.9019    0.3746 O   0  0  0  0  0
   78.1919   45.6254    1.8705 N   0  0  0  0  0
   78.9083   46.4486    2.8647 C   0  0  0  0  0
   79.1788   47.9242    2.4499 C   0  0  0  0  0
   77.9370   48.7597    2.1596 C   0  0  0  0  0
   80.0922   48.6165    3.4906 C   0  0  0  0  0
   80.6719   49.9450    3.0223 C   0  0  0  0  0
   78.4081   46.2390    4.3086 C   0  0  0  0  0
   77.4413   46.8648    4.7532 O   0  0  0  0  0
   78.9611   45.2999    5.1276 N   0  0  0  0  0
   80.1061   44.3873    4.9711 C   0  0  0  0  0
   79.9652   43.4066    3.7989 C   0  0  0  0  0
   80.9272   42.2257    3.9566 C   0  0  0  0  0
   80.7206   41.0712    2.5628 S   0  0  0  0  0
   81.9366   39.8286    3.0624 C   0  0  0  0  0
   81.3980   45.2264    4.9327 C   0  0  0  0  0
   82.0011   45.4399    3.8768 O   0  0  0  0  0
   81.8640   45.8782    6.0391 N   0  0  0  0  0
   81.7732   45.5176    7.4649 C   0  0  0  0  0
   80.3762   45.3696    8.0748 C   0  0  0  0  0
   80.3906   45.4480    9.5004 O   0  0  0  0  0
   82.6193   44.2525    7.6669 C   0  0  0  0  0
   82.3556   43.2151    7.0471 O   0  0  0  0  0
   83.7231   44.2361    8.4633 N   0  0  0  0  0
   84.4070   45.2706    9.2608 C   0  0  0  0  0
   84.9161   46.4474    8.4108 C   0  0  0  0  0
   85.9273   47.3126    9.1738 C   0  0  0  0  0
   86.3421   48.5316    8.3490 C   0  0  0  0  0
   87.2840   49.3455    9.0897 N   0  0  0  0  0
   88.6225   49.1657    9.0844 C   0  0  0  0  0
   89.2962   48.1652    8.6604 N   0  0  0  0  0
   89.2649   50.2200    9.6215 N   0  0  0  0  0
   83.5014   45.7098   10.4267 C   0  0  0  0  0
   82.7058   46.6481   10.2871 O   0  0  0  0  0
   83.4322   45.0182   11.5952 N   0  0  0  0  0
   84.2137   43.9176   12.1767 C   0  0  0  0  0
   84.3412   42.6710   11.2927 C   0  0  0  0  0
   84.8556   41.4598   12.0735 C   0  0  0  0  0
   85.2631   40.3387   11.1479 C   0  0  0  0  0
   84.6408   39.2906   11.0463 O   0  0  0  0  0
   86.3961   40.5648   10.4238 N   0  0  0  0  0
   85.6109   44.4142   12.6047 C   0  0  0  0  0
   86.4344   44.7834   11.7630 O   0  0  0  0  0
   85.9952   44.4098   13.9131 N   0  0  0  0  0
   85.1832   44.4336   15.1398 C   0  0  0  0  0
   84.2596   45.6619   15.1781 C   0  0  0  0  0
   83.7133   45.9460   16.5821 C   0  0  0  0  0
   82.2234   46.1987   16.5590 C   0  0  0  0  0
   81.7267   47.3023   16.7461 O   0  0  0  0  0
   81.4583   45.1044   16.2945 N   0  0  0  0  0
   84.4285   43.1055   15.3992 C   0  0  0  0  0
   83.1988   43.0644   15.4967 O   0  0  0  0  0
   85.1230   41.9391   15.5368 N   0  0  0  0  0
   86.5577   41.7849   15.7372 C   0  0  0  0  0
   86.9589   42.0714   17.1844 C   0  0  0  0  0
   86.1374   42.4580   18.0200 O   0  0  0  0  0
   88.2508   41.9139   17.5819 N   0  0  0  0  0
   89.5039   41.8552   16.8250 C   0  0  0  0  0
   89.5481   40.7758   15.7355 C   0  0  0  0  0
   90.9851   40.5326   15.2786 C   0  0  0  0  0
   91.1641   39.2969   14.4281 C   0  0  0  0  0
   92.0090   38.4387   14.6664 O   0  0  0  0  0
   90.3570   39.2044   13.3351 N   0  0  0  0  0
   89.7900   43.2705   16.2797 C   0  0  0  0  0
   89.2324   43.6844   15.2577 O   0  0  0  0  0
   90.5823   44.1417   16.9688 N   0  0  0  0  0
   91.1382   44.0442   18.3326 C   0  0  0  0  0
   90.1103   44.4069   19.4212 C   0  0  0  0  0
   89.1718   43.3474   19.6231 O   0  0  0  0  0
   92.3524   44.9892   18.4487 C   0  0  0  0  0
   92.5108   45.7560   19.3936 O   0  0  0  0  0
   93.3085   44.8229   17.4677 N   0  0  0  0  0
   94.5137   45.6691   17.3947 C   0  0  0  0  0
   94.1391   47.1353   17.1567 C   0  0  0  0  0
   95.2678   47.8592   16.4668 C   0  0  0  0  0
   95.3070   48.0245   15.2529 O   0  0  0  0  0
   96.2588   48.3135   17.2802 N   0  0  0  0  0
   95.3863   45.5042   18.6669 C   0  0  0  0  0
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M  END

>  <Chemical Name>
GHRH(1-44)

>  <PubChem CID>
56928011

>  <Formula>
C216H360N72O63S

>  <Molecular Weight>
5005.757000

>  <IUPAC Name>


>  <XlogP>
-23.2

>  <Hydrogen Bond Donors>
81

>  <Hydrogen Bond Acceptors>
72

>  <Canonical SMILES>
CCC=CCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(C(C)CC)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)N

>  <Isomeric SMILES>
CC/C=C/CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N

>  <InChI Std. ID>
InChI=1S/C216H360N72O63S/c1-25-28-30-53-161(304)256-142(90-118-54-58-120(294)59-55-118)193(334)251-114(21)175(316)271-147(94-165(308)309)194(335)252-115(22)176(317)286-168(109(16)26-2)209(350)279-144(89-117-43-31-29-32-44-117)201(342)288-170(116(23)293)210(351)280-146(93-160(226)303)200(341)284-152(102-292)205(346)275-143(91-119-56-60-121(295)61-57-119)198(339)263-128(51-41-81-244-215(236)237)182(323)262-124(46-34-36-76-218)192(333)285-167(108(14)15)207(348)278-138(85-104(6)7)179(320)248-98-164(307)254-131(63-69-154(220)297)186(327)273-141(88-107(12)13)197(338)283-149(99-289)203(344)253-113(20)174(315)258-126(49-39-79-242-213(232)233)181(322)261-123(45-33-35-75-217)185(326)272-140(87-106(10)11)196(337)274-139(86-105(8)9)195(336)267-135(67-73-158(224)301)190(331)277-148(95-166(310)311)202(343)287-169(110(17)27-3)208(349)269-136(74-83-352-24)191(332)282-150(100-290)204(345)264-129(52-42-82-245-216(238)239)183(324)266-133(65-71-156(222)299)189(330)265-130(62-68-153(219)296)178(319)247-97-163(306)255-132(64-70-155(221)298)187(328)281-151(101-291)206(347)276-145(92-159(225)302)199(340)268-134(66-72-157(223)300)188(329)260-122(47-37-77-240-211(228)229)177(318)246-96-162(305)249-111(18)172(313)257-125(48-38-78-241-212(230)231)180(321)250-112(19)173(314)259-127(50-40-80-243-214(234)235)184(325)270-137(171(227)312)84-103(4)5/h28-32,43-44,54-61,103-116,122-152,167-170,289-295H,25-27,33-42,45-53,62-102,217-218H2,1-24H3,(H2,219,296)(H2,220,297)(H2,221,298)(H2,222,299)(H2,223,300)(H2,224,301)(H2,225,302)(H2,226,303)(H2,227,312)(H,246,318)(H,247,319)(H,248,320)(H,249,305)(H,250,321)(H,251,334)(H,252,335)(H,253,344)(H,254,307)(H,255,306)(H,256,304)(H,257,313)(H,258,315)(H,259,314)(H,260,329)(H,261,322)(H,262,323)(H,263,339)(H,264,345)(H,265,330)(H,266,324)(H,267,336)(H,268,340)(H,269,349)(H,270,325)(H,271,316)(H,272,326)(H,273,327)(H,274,337)(H,275,346)(H,276,347)(H,277,331)(H,278,348)(H,279,350)(H,280,351)(H,281,328)(H,282,332)(H,283,338)(H,284,341)(H,285,333)(H,286,317)(H,287,343)(H,288,342)(H,308,309)(H,310,311)(H4,228,229,240)(H4,230,231,241)(H4,232,233,242)(H4,234,235,243)(H4,236,237,244)(H4,238,239,245)/b30-28+/t109?,110?,111-,112-,113-,114-,115-,116?,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,167-,168-,169-,170-/m0/s1

>  <InChI Key>
LAJJBLZKAIOLRM-YHAVXTEWSA-N

