
 L31,P34-NPY,human

581591  0  0  0  0  0  0  0  0999 V2000
   18.9908    0.9135  -15.5050 C   0  0  0  0  0
   20.4039    1.4778  -15.4295 C   0  0  0  0  0
   20.4639    2.9974  -15.1291 C   0  0  0  0  0
   19.8441    3.2986  -13.7585 C   0  0  0  0  0
   21.9337    3.5083  -15.2575 C   0  0  0  0  0
   22.3693    3.5135  -16.7508 C   0  0  0  0  0
   22.9919    2.5414  -17.2032 O   0  0  0  0  0
   22.0008    4.4246  -17.6927 N   0  0  0  0  0
   21.4786    5.8097  -17.6951 C   0  0  0  0  0
   20.1746    5.9893  -16.9300 C   0  0  0  0  0
   19.6449    7.4000  -16.9819 C   0  0  0  0  0
   19.6675    8.1491  -16.0123 O   0  0  0  0  0
   19.0772    7.7923  -18.1556 N   0  0  0  0  0
   22.6276    6.7030  -17.2118 C   0  0  0  0  0
   22.7748    6.9178  -16.0027 O   0  0  0  0  0
   23.6379    7.1164  -18.0222 N   0  0  0  0  0
   23.6879    7.4398  -19.4572 C   0  0  0  0  0
   23.5010    6.2901  -20.4574 C   0  0  0  0  0
   24.7824    5.4821  -20.7594 C   0  0  0  0  0
   25.3794    4.8048  -19.5278 C   0  0  0  0  0
   24.4905    4.4343  -21.8379 C   0  0  0  0  0
   22.6967    8.5881  -19.7175 C   0  0  0  0  0
   21.4973    8.4480  -19.4454 O   0  0  0  0  0
   23.0622    9.7727  -20.2695 N   0  0  0  0  0
   24.3469   10.3472  -20.7158 C   0  0  0  0  0
   25.2007   10.9640  -19.5769 C   0  0  0  0  0
   25.7282   10.0092  -18.5135 C   0  0  0  0  0
   26.3656   11.7892  -20.1373 C   0  0  0  0  0
   25.0601    9.4181  -21.7291 C   0  0  0  0  0
   25.9882    8.6809  -21.3885 O   0  0  0  0  0
   24.6041    9.2723  -23.0141 N   0  0  0  0  0
   23.9524   10.2705  -23.8977 C   0  0  0  0  0
   22.5231   10.7039  -23.4925 C   0  0  0  0  0
   22.2088   12.1832  -23.6682 C   0  0  0  0  0
   21.5830    9.9499  -24.2793 O   0  0  0  0  0
   24.9950   11.3848  -24.0956 C   0  0  0  0  0
   25.2629   12.1704  -23.1804 O   0  0  0  0  0
   25.7788   11.4616  -25.2061 N   0  0  0  0  0
   25.6045   10.9311  -26.5733 C   0  0  0  0  0
   25.7077    9.4039  -26.6526 C   0  0  0  0  0
   26.0225    8.9181  -28.0737 C   0  0  0  0  0
   26.2292    7.4026  -28.1231 C   0  0  0  0  0
   27.5119    7.0728  -27.5156 N   0  0  0  0  0
   27.5924    6.4301  -26.4172 C   0  0  0  0  0
   28.8084    6.1735  -25.8885 N   0  0  0  0  0
   26.6312    5.9339  -25.6080 N   0  0  0  0  0
   24.2996   11.5467  -27.1423 C   0  0  0  0  0
   23.2696   10.8733  -27.2202 O   0  0  0  0  0
   24.2844   12.9083  -27.4092 N   0  0  0  0  0
   23.0341   13.6364  -27.3991 C   0  0  0  0  0
   23.3968   14.9838  -26.7961 C   0  0  0  0  0
   24.8581   15.2181  -27.1785 C   0  0  0  0  0
   25.4273   13.8300  -27.4303 C   0  0  0  0  0
   26.3269   13.6149  -28.6681 C   0  0  0  0  0
   27.5117   13.2950  -28.4857 O   0  0  0  0  0
   25.9237   13.5884  -29.9698 N   0  0  0  0  0
   25.2937   14.6419  -30.7966 C   0  0  0  0  0
   23.8517   15.0032  -30.4645 C   0  0  0  0  0
   23.1950   15.9133  -31.5072 C   0  0  0  0  0
   21.7713   16.2753  -31.0845 C   0  0  0  0  0
   21.1855   17.2116  -32.0355 N   0  0  0  0  0
   20.6046   16.7780  -33.0866 C   0  0  0  0  0
   20.4330   15.5182  -33.5403 N   0  0  0  0  0
   20.0589   17.6548  -33.9562 N   0  0  0  0  0
   26.2662   15.8371  -30.8408 C   0  0  0  0  0
   26.3252   16.6464  -29.9106 O   0  0  0  0  0
   27.1959   15.9697  -31.8315 N   0  0  0  0  0
   27.3344   15.3253  -33.1502 C   0  0  0  0  0
   27.5751   13.8085  -33.1248 C   0  0  0  0  0
   27.9882   13.2626  -34.4746 C   0  0  0  0  0
   29.3315   13.2638  -34.8707 C   0  0  0  0  0
   29.6923   12.7831  -36.1313 C   0  0  0  0  0
   28.7152   12.3048  -36.9967 C   0  0  0  0  0
   27.3775   12.2934  -36.6225 C   0  0  0  0  0
   27.0171   12.7699  -35.3615 C   0  0  0  0  0
   29.1129   11.8507  -38.2189 O   0  0  0  0  0
   26.1375   15.7563  -34.0148 C   0  0  0  0  0
   25.1270   15.0783  -34.1689 O   0  0  0  0  0
   26.1999   17.0266  -34.5155 N   0  0  0  0  0
   22.1906    4.7786  -14.5823 N   0  0  0  0  0
   22.7234    4.8748  -13.3149 C   0  0  0  0  0
   22.9550    3.8997  -12.6021 O   0  0  0  0  0
   22.9611    6.3293  -12.8277 C   0  0  0  0  0
   21.6083    6.9791  -12.4490 C   0  0  0  0  0
   21.2081    7.0027  -10.9882 C   0  0  0  0  0
   20.6634    8.1798  -10.4478 C   0  0  0  0  0
   20.3197    8.2567   -9.0980 C   0  0  0  0  0
   20.4933    7.1463   -8.2852 C   0  0  0  0  0
   20.9764    5.9519   -8.8070 C   0  0  0  0  0
   21.3186    5.8775  -10.1604 C   0  0  0  0  0
   20.1796    7.2692   -6.9646 O   0  0  0  0  0
   23.9770    6.2808  -11.7745 N   0  0  0  0  0
   24.9607    7.1372  -11.4108 C   0  0  0  0  0
   25.8123    6.7158  -10.6196 O   0  0  0  0  0
   25.1374    8.5344  -12.0269 C   0  0  0  0  0
   25.9177    8.4276  -13.3470 C   0  0  0  0  0
   26.3119    9.7800  -13.8371 C   0  0  0  0  0
   27.3028   10.6172  -13.3699 C   0  0  0  0  0
   27.1414   11.7848  -14.0630 N   0  0  0  0  0
   26.1017   11.6071  -14.9336 C   0  0  0  0  0
   25.5888   10.4016  -14.8275 N   0  0  0  0  0
   23.8951    9.2957  -12.1756 N   0  0  0  0  0
   23.3082   10.2088  -11.3556 C   0  0  0  0  0
   22.3415   10.8328  -11.8076 O   0  0  0  0  0
   23.8613   10.5723   -9.9558 C   0  0  0  0  0
   24.1754    9.3696   -9.0623 C   0  0  0  0  0
   24.0412    9.7096   -7.5754 C   0  0  0  0  0
   24.3040    8.4838   -6.7026 C   0  0  0  0  0
   24.2997    8.8852   -5.3015 N   0  0  0  0  0
   23.2413    8.7646   -4.5988 C   0  0  0  0  0
   22.0106    8.3125   -4.9213 N   0  0  0  0  0
   23.2683    9.1176   -3.2952 N   0  0  0  0  0
   25.0165   11.4570  -10.1334 N   0  0  0  0  0
   25.0467   12.8147  -10.2440 C   0  0  0  0  0
   25.9606   13.3003  -10.9217 O   0  0  0  0  0
   23.9921   13.7403   -9.5906 C   0  0  0  0  0
   22.6745   13.7738  -10.3809 C   0  0  0  0  0
   21.8137   15.0248  -10.0968 C   0  0  0  0  0
   22.4030   16.2874  -10.7302 C   0  0  0  0  0
   20.3929   14.8095  -10.6266 C   0  0  0  0  0
   23.7657   13.4035   -8.1830 N   0  0  0  0  0
   24.3504   13.8558   -7.0423 C   0  0  0  0  0
   23.9531   13.3717   -5.9768 O   0  0  0  0  0
   25.3555   15.0271   -7.0084 C   0  0  0  0  0
   26.5663   14.8772   -7.9146 C   0  0  0  0  0
   24.6301   16.2753   -7.2528 N   0  0  0  0  0
   23.9563   17.0380   -6.3377 C   0  0  0  0  0
   22.9220   17.5910   -6.7202 O   0  0  0  0  0
   24.4448   17.1910   -4.8841 C   0  0  0  0  0
   24.0515   15.9878   -4.0207 C   0  0  0  0  0
   23.9024   16.3997   -2.6574 O   0  0  0  0  0
   25.8868   17.4793   -4.8799 N   0  0  0  0  0
   26.6602   18.2871   -4.1113 C   0  0  0  0  0
   27.8446   18.3894   -4.4530 O   0  0  0  0  0
   26.1643   19.0251   -2.8488 C   0  0  0  0  0
   24.9905   19.9759   -3.1284 C   0  0  0  0  0
   25.1185   21.2550   -2.3309 C   0  0  0  0  0
   25.6285   22.4155   -2.9311 C   0  0  0  0  0
   25.8109   23.5758   -2.1783 C   0  0  0  0  0
   25.4968   23.5740   -0.8258 C   0  0  0  0  0
   24.9790   22.4368   -0.2159 C   0  0  0  0  0
   24.7853   21.2786   -0.9699 C   0  0  0  0  0
   25.7241   24.7157   -0.1163 O   0  0  0  0  0
   25.8670   18.0486   -1.8026 N   0  0  0  0  0
   26.6717   17.5005   -0.8514 C   0  0  0  0  0
   26.3121   16.4212   -0.3657 O   0  0  0  0  0
   27.9699   18.1695   -0.3452 C   0  0  0  0  0
   29.0847   18.2178   -1.4022 C   0  0  0  0  0
   30.4469   18.4017   -0.7696 C   0  0  0  0  0
   31.1701   17.2936   -0.3065 C   0  0  0  0  0
   32.3858   17.4735    0.3550 C   0  0  0  0  0
   32.8786   18.7603    0.5479 C   0  0  0  0  0
   32.1938   19.8667    0.0646 C   0  0  0  0  0
   30.9742   19.6893   -0.5876 C   0  0  0  0  0
   34.0314   18.9751    1.2437 O   0  0  0  0  0
   27.6812   19.4813    0.2457 N   0  0  0  0  0
   27.6011   19.8780    1.5471 C   0  0  0  0  0
   27.1624   21.0161    1.7567 O   0  0  0  0  0
   27.9618   18.9687    2.7482 C   0  0  0  0  0
   26.9400   17.8379    2.9412 C   0  0  0  0  0
   27.0138   17.1595    4.3191 C   0  0  0  0  0
   26.2756   17.9048    5.4323 C   0  0  0  0  0
   26.9350   19.1787    5.7144 N   0  0  0  0  0
   26.4125   19.9229    6.6177 C   0  0  0  0  0
   25.3308   19.7110    7.3991 N   0  0  0  0  0
   26.9485   21.1290    6.9005 N   0  0  0  0  0
   29.3281   18.4524    2.6964 N   0  0  0  0  0
   30.4178   18.7259    3.4581 C   0  0  0  0  0
   31.3679   17.9396    3.3559 O   0  0  0  0  0
   30.4732   19.8496    4.5169 C   0  0  0  0  0
   29.9532   21.2082    4.0672 C   0  0  0  0  0
   29.8665   19.4006    5.7705 N   0  0  0  0  0
   30.4268   18.7809    6.8490 C   0  0  0  0  0
   29.6790   18.2158    7.6558 O   0  0  0  0  0
   31.9476   18.8071    7.1429 C   0  0  0  0  0
   32.7919   18.0523    6.1107 C   0  0  0  0  0
   34.1132   17.5716    6.7076 C   0  0  0  0  0
   35.0819   16.6576    5.4668 S   0  0  0  0  0
   36.4972   16.2218    6.5059 C   0  0  0  0  0
   32.3850   20.1928    7.3347 N   0  0  0  0  0
   32.4344   20.9055    8.4962 C   0  0  0  0  0
   32.1878   22.1135    8.4348 O   0  0  0  0  0
   32.7222   20.2554    9.8677 C   0  0  0  0  0
   31.3872   19.8742   10.5172 C   0  0  0  0  0
   31.4851   19.9285   12.0153 C   0  0  0  0  0
   32.5067   19.9458   12.6815 O   0  0  0  0  0
   30.2756   19.8970   12.6043 O   0  0  0  0  0
   33.6516   19.1198    9.8184 N   0  0  0  0  0
   35.0072   19.0739    9.8370 C   0  0  0  0  0
   35.5198   17.9497    9.9046 O   0  0  0  0  0
   35.9211   20.3201    9.8163 C   0  0  0  0  0
   35.6514   21.2598    8.6382 C   0  0  0  0  0
   36.8544   22.1525    8.3105 C   0  0  0  0  0
   36.5923   22.9797    7.0731 C   0  0  0  0  0
   35.7366   22.7292    6.2397 O   0  0  0  0  0
   37.4433   24.0213    6.9490 O   0  0  0  0  0
   35.9538   21.0411   11.0863 N   0  0  0  0  0
   36.6617   20.7655   12.2200 C   0  0  0  0  0
   36.7638   21.6623   13.0613 O   0  0  0  0  0
   37.2936   19.3737   12.4547 C   0  0  0  0  0
   38.6504   19.2463   11.7747 C   0  0  0  0  0
   37.4787   19.2005   13.9048 N   0  0  0  0  0
   36.5041   18.9532   14.8332 C   0  0  0  0  0
   36.7626   19.1443   16.0249 O   0  0  0  0  0
   35.1296   18.4507   14.3557 C   0  0  0  0  0
   35.2083   16.9863   13.9108 C   0  0  0  0  0
   34.8892   16.2155   15.1869 C   0  0  0  0  0
   33.8262   17.0774   15.8444 C   0  0  0  0  0
   34.1528   18.4358   15.4485 N   0  0  0  0  0
   33.4164   19.4966   15.9349 C   0  0  0  0  0
   32.4941   19.2942   16.7319 O   0  0  0  0  0
   33.8422   20.9389   15.5516 C   0  0  0  0  0
   32.6266   21.8596   15.7079 C   0  0  0  0  0
   34.9601   21.3537   16.4095 N   0  0  0  0  0
   35.5470   22.5962   16.2980 C   0  0  0  0  0
   35.1796   23.4506   15.4916 O   0  0  0  0  0
   36.7063   22.8665   17.2802 C   0  0  0  0  0
   38.0066   22.3081   16.7140 C   0  0  0  0  0
   39.1164   22.3867   17.7191 C   0  0  0  0  0
   40.2296   22.8408   17.5157 O   0  0  0  0  0
   38.7842   21.8695   18.9188 O   0  0  0  0  0
   36.8006   24.3252   17.4599 N   0  0  0  0  0
   36.4846   25.1321   18.5065 C   0  0  0  0  0
   36.4430   26.3506   18.3049 O   0  0  0  0  0
   36.1928   24.5923   19.9236 C   0  0  0  0  0
   34.8482   23.8652   19.9957 C   0  0  0  0  0
   34.3253   23.7943   21.4328 C   0  0  0  0  0
   32.9580   23.1712   21.4875 C   0  0  0  0  0
   32.2473   22.8695   20.5454 O   0  0  0  0  0
   32.5446   22.9760   22.7537 O   0  0  0  0  0
   37.3066   23.7839   20.4217 N   0  0  0  0  0
   38.4788   24.2657   20.9482 C   0  0  0  0  0
   39.4461   23.5066   21.0460 O   0  0  0  0  0
   38.5224   25.7286   21.4020 C   0  0  0  0  0
   39.8380   26.1259   21.8719 N   0  0  0  0  0
   40.2946   27.3315   22.3047 C   0  0  0  0  0
   41.4632   27.3854   22.7047 O   0  0  0  0  0
   39.4692   28.6443   22.2207 C   0  0  0  0  0
   39.7244   29.3731   20.8982 C   0  0  0  0  0
   38.5243   29.0302   20.0299 C   0  0  0  0  0
   37.3886   28.8675   21.0278 C   0  0  0  0  0
   38.0159   28.5188   22.3008 N   0  0  0  0  0
   37.2141   28.3318   23.4087 C   0  0  0  0  0
   36.0251   28.0277   23.2580 O   0  0  0  0  0
   37.7281   28.6520   24.8383 C   0  0  0  0  0
   38.9762   27.9000   25.2847 C   0  0  0  0  0
   38.9889   27.7094   26.7861 C   0  0  0  0  0
   38.0238   27.9039   27.5168 O   0  0  0  0  0
   40.1778   27.2672   27.2863 N   0  0  0  0  0
   37.8877   30.1115   24.9110 N   0  0  0  0  0
   36.9989   31.0473   25.3540 C   0  0  0  0  0
   37.0994   32.1755   24.8604 O   0  0  0  0  0
   35.9515   30.7683   26.4529 C   0  0  0  0  0
   34.8723   29.7669   26.0298 C   0  0  0  0  0
   33.4915   30.2788   26.3317 C   0  0  0  0  0
   33.1752   31.0909   27.1837 O   0  0  0  0  0
   32.5560   29.7069   25.5512 O   0  0  0  0  0
   36.6426   30.4086   27.7035 N   0  0  0  0  0
   36.3472   30.9741   28.9217 C   0  0  0  0  0
   35.9973   30.2178   29.8344 O   0  0  0  0  0
   36.7808   32.4479   29.2231 C   0  0  0  0  0
   36.4213   33.5409   28.2198 C   0  0  0  0  0
   35.0071   33.9178   28.6224 C   0  0  0  0  0
   35.0967   33.9075   30.1383 C   0  0  0  0  0
   36.1428   32.9407   30.4652 N   0  0  0  0  0
   36.4748   32.7713   31.7909 C   0  0  0  0  0
   35.8624   33.4440   32.6404 O   0  0  0  0  0
   37.4566   31.6734   32.3160 C   0  0  0  0  0
   38.6827   31.2875   31.4785 C   0  0  0  0  0
   39.5878   30.2688   32.1948 C   0  0  0  0  0
   40.4120   29.4444   31.2031 C   0  0  0  0  0
   41.3662   28.5025   31.9345 C   0  0  0  0  0
   41.9823   27.5754   30.9882 N   0  0  0  0  0
   37.9412   32.1126   33.6504 N   0  0  0  0  0
   37.4229   32.1108   34.9048 C   0  0  0  0  0
   38.1760   32.5771   35.7726 O   0  0  0  0  0
   35.9734   31.7050   35.2674 C   0  0  0  0  0
   35.4095   30.5258   34.4615 C   0  0  0  0  0
   34.2944   29.9226   35.1337 O   0  0  0  0  0
   35.8862   31.3232   36.6998 N   0  0  0  0  0
   35.8844   31.9987   37.8731 C   0  0  0  0  0
   35.4816   31.3400   38.8430 O   0  0  0  0  0
   36.4393   33.4405   38.0710 C   0  0  0  0  0
   35.8324   34.5131   37.1742 C   0  0  0  0  0
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M  END

>  <Chemical Name>
L31,P34-NPY,human

>  <PubChem CID>
57339553

>  <Formula>
C188H282N54O56S

>  <Molecular Weight>
4226.706000

>  <IUPAC Name>


>  <XlogP>
-16.6

>  <Hydrogen Bond Donors>
57

>  <Hydrogen Bond Acceptors>
64

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC4=CNC=N4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=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)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C7CCCN7C(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C8CCCN8C(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C9CCCN9C(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C1CCCN1C(=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(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CNC=N4)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=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)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]8CCCN8C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(C=C1)O)N

>  <InChI Std. ID>
InChI=1S/C188H282N54O56S/c1-15-94(8)148(178(292)231-127(81-139(191)251)165(279)223-122(74-92(4)5)168(282)235-147(93(6)7)177(291)237-149(99(13)245)179(293)220-119(31-21-66-206-188(200)201)183(297)241-70-25-35-137(241)174(288)218-114(30-20-65-205-187(198)199)155(269)221-120(150(193)264)76-101-39-49-107(247)50-40-101)236-169(283)125(79-104-45-55-110(250)56-46-104)226-164(278)126(80-105-86-202-90-208-105)227-157(271)113(29-19-64-204-186(196)197)216-161(275)121(73-91(2)3)222-153(267)96(10)210-170(284)132(88-243)233-163(277)124(78-103-43-53-109(249)54-44-103)225-162(276)123(77-102-41-51-108(248)52-42-102)224-156(270)112(28-18-63-203-185(194)195)214-151(265)95(9)209-154(268)117(61-72-299-14)217-166(280)129(84-145(260)261)229-159(273)116(58-60-143(256)257)215-152(266)97(11)211-173(287)135-33-23-67-238(135)180(294)98(12)212-160(274)128(83-144(258)259)228-158(272)115(57-59-142(254)255)213-141(253)87-207-172(286)134-32-22-69-240(134)184(298)131(82-140(192)252)232-167(281)130(85-146(262)263)230-175(289)138-36-26-71-242(138)182(296)118(27-16-17-62-189)219-171(285)133(89-244)234-176(290)136-34-24-68-239(136)181(295)111(190)75-100-37-47-106(246)48-38-100/h37-56,86,90-99,111-138,147-149,243-250H,15-36,57-85,87-89,189-190H2,1-14H3,(H2,191,251)(H2,192,252)(H2,193,264)(H,202,208)(H,207,286)(H,209,268)(H,210,284)(H,211,287)(H,212,274)(H,213,253)(H,214,265)(H,215,266)(H,216,275)(H,217,280)(H,218,288)(H,219,285)(H,220,293)(H,221,269)(H,222,267)(H,223,279)(H,224,270)(H,225,276)(H,226,278)(H,227,271)(H,228,272)(H,229,273)(H,230,289)(H,231,292)(H,232,281)(H,233,277)(H,234,290)(H,235,282)(H,236,283)(H,237,291)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,194,195,203)(H4,196,197,204)(H4,198,199,205)(H4,200,201,206)/t94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,147-,148-,149-/m0/s1

>  <InChI Key>
VJMJFNUAWADCHK-ACWPDFOSSA-N

