
 CHEMBL2370967

222228  0  0  0  0  0  0  0  0999 V2000
   -5.1332   -0.6539   -0.4744 C   0  0  0  0  0
   -6.2339   -0.5775    0.5712 C   0  0  0  0  0
   -6.0782   -1.6664    1.6342 C   0  0  0  0  0
   -7.2467   -1.6386    2.6255 C   0  0  0  0  0
   -7.2949   -2.8855    3.5263 C   0  0  0  0  0
   -6.1105   -2.9479    4.5097 C   0  0  0  0  0
   -5.1773   -3.7267    4.2808 O   0  0  0  0  0
   -5.9602   -2.1047    5.5592 N   0  0  0  0  0
   -6.7740   -1.0003    6.0412 C   0  0  0  0  0
   -6.7234   -0.9929    7.5678 C   0  0  0  0  0
   -7.2523   -1.9022    8.2178 O   0  0  0  0  0
   -6.0134   -0.0713    8.2724 N   0  0  0  0  0
   -5.3601    1.1955    7.8861 C   0  0  0  0  0
   -4.3022    1.0730    6.7822 C   0  0  0  0  0
   -3.2886    2.1591    6.8965 C   0  0  0  0  0
   -1.9170    2.0806    7.0005 C   0  0  0  0  0
   -1.4911    3.3760    7.1163 N   0  0  0  0  0
   -2.5969    4.1749    7.0822 C   0  0  0  0  0
   -3.6951    3.4683    6.9430 N   0  0  0  0  0
   -6.4769    2.1908    7.5392 C   0  0  0  0  0
   -7.1241    2.0659    6.4902 O   0  0  0  0  0
   -7.0026    3.0480    8.4636 N   0  0  0  0  0
   -6.3414    3.9591    9.4343 C   0  0  0  0  0
   -5.2981    3.3428   10.3733 C   0  0  0  0  0
   -5.1264    4.1017   11.6738 C   0  0  0  0  0
   -4.0159    4.9356   11.8702 C   0  0  0  0  0
   -3.8351    5.6422   13.0717 C   0  0  0  0  0
   -2.7211    6.4739   13.2724 C   0  0  0  0  0
   -2.5537    7.1676   14.4721 C   0  0  0  0  0
   -3.4999    7.0417   15.4849 C   0  0  0  0  0
   -4.6142    6.2220   15.3000 C   0  0  0  0  0
   -4.7950    5.5147   14.0993 C   0  0  0  0  0
   -5.9086    4.6852   13.8965 C   0  0  0  0  0
   -6.0720    3.9845   12.6985 C   0  0  0  0  0
   -5.8236    5.1951    8.6632 C   0  0  0  0  0
   -4.7346    5.7321    8.8571 O   0  0  0  0  0
   -6.6535    5.7330    7.6986 N   0  0  0  0  0
   -7.8264    6.5790    8.0133 C   0  0  0  0  0
   -8.8686    5.9903    8.9747 C   0  0  0  0  0
  -10.2179    6.7112    8.8489 C   0  0  0  0  0
  -11.3100    6.0230    9.6650 C   0  0  0  0  0
  -12.5928    6.6811    9.4251 N   0  0  0  0  0
  -13.3341    6.2931    8.4590 C   0  0  0  0  0
  -13.1309    5.3363    7.5258 N   0  0  0  0  0
  -14.5392    6.8717    8.2648 N   0  0  0  0  0
   -7.2932    7.9396    8.5082 C   0  0  0  0  0
   -6.9572    8.1085    9.6827 O   0  0  0  0  0
   -7.0510    8.9640    7.6387 N   0  0  0  0  0
   -7.5295    9.2090    6.2631 C   0  0  0  0  0
   -6.9496    8.2286    5.2307 C   0  0  0  0  0
   -7.0773    8.7024    3.8010 C   0  0  0  0  0
   -8.0054    8.1012    2.9378 C   0  0  0  0  0
   -8.1181    8.5011    1.5957 C   0  0  0  0  0
   -9.0320    7.8880    0.7231 C   0  0  0  0  0
   -9.1254    8.2898   -0.6104 C   0  0  0  0  0
   -8.3101    9.3120   -1.0870 C   0  0  0  0  0
   -7.3994    9.9340   -0.2313 C   0  0  0  0  0
   -7.2904    9.5380    1.1117 C   0  0  0  0  0
   -6.3751   10.1469    1.9834 C   0  0  0  0  0
   -6.2664    9.7314    3.3126 C   0  0  0  0  0
   -9.0674    9.2508    6.3116 C   0  0  0  0  0
   -9.7526    8.3147    5.8905 O   0  0  0  0  0
   -9.7283   10.2480    6.9792 N   0  0  0  0  0
   -9.4184   11.6902    7.0773 C   0  0  0  0  0
   -8.0797   12.0796    7.6872 C   0  0  0  0  0
   -8.1579   13.5189    8.1000 C   0  0  0  0  0
   -7.8725   14.4792    7.4044 O   0  0  0  0  0
   -8.6693   13.6736    9.3332 O   0  0  0  0  0
   -9.5959   12.2389    5.6569 C   0  0  0  0  0
   -8.6854   12.1340    4.8289 O   0  0  0  0  0
  -10.8057   12.6790    5.2048 N   0  0  0  0  0
  -11.9884   13.2099    5.9097 C   0  0  0  0  0
  -12.6625   12.2422    6.8930 C   0  0  0  0  0
  -14.0877   12.6895    7.2407 C   0  0  0  0  0
  -14.7393   11.7372    8.2429 C   0  0  0  0  0
  -16.0200   12.2795    8.6829 N   0  0  0  0  0
  -17.0765   12.0701    7.9982 C   0  0  0  0  0
  -17.2550   11.3989    6.8402 N   0  0  0  0  0
  -18.2535   12.5844    8.4150 N   0  0  0  0  0
  -11.5699   14.5469    6.5480 C   0  0  0  0  0
  -11.0472   14.5816    7.6674 O   0  0  0  0  0
  -11.6156   15.7182    5.8518 N   0  0  0  0  0
  -12.3380   16.1190    4.6291 C   0  0  0  0  0
  -11.9924   15.3289    3.3566 C   0  0  0  0  0
  -12.4660   16.0380    2.1062 C   0  0  0  0  0
  -11.6632   17.0052    1.4892 C   0  0  0  0  0
  -12.1259   17.6941    0.3670 C   0  0  0  0  0
  -13.3930   17.4248   -0.1473 C   0  0  0  0  0
  -14.1983   16.4622    0.4567 C   0  0  0  0  0
  -13.7373   15.7706    1.5771 C   0  0  0  0  0
  -13.8460   16.1085    4.9494 C   0  0  0  0  0
  -14.5458   15.1104    4.7607 O   0  0  0  0  0
  -14.4146   17.1695    5.5963 N   0  0  0  0  0
  -13.8310   18.4680    5.8828 C   0  0  0  0  0
  -14.0066   19.4045    4.6909 C   0  0  0  0  0
  -13.2029   19.4676    3.7670 O   0  0  0  0  0
  -15.1699   20.1177    4.6616 N   0  0  0  0  0
   -8.6235   -3.0040    4.1365 N   0  0  0  0  0
   -9.6626   -3.7332    3.6221 C   0  0  0  0  0
  -10.7564   -3.1667    3.5290 O   0  0  0  0  0
   -9.5044   -5.2082    3.1585 C   0  0  0  0  0
   -9.5244   -5.3883    1.6183 C   0  0  0  0  0
   -8.2570   -4.9606    0.8844 C   0  0  0  0  0
   -9.8502   -6.8394    1.2410 C   0  0  0  0  0
   -8.4299   -5.9175    3.8471 N   0  0  0  0  0
   -8.4860   -6.7070    4.9612 C   0  0  0  0  0
   -7.4206   -6.9108    5.5536 O   0  0  0  0  0
   -9.7943   -7.3454    5.4833 C   0  0  0  0  0
  -10.7118   -6.3298    6.1922 C   0  0  0  0  0
  -12.0121   -6.9384    6.6752 C   0  0  0  0  0
  -12.0563   -7.6654    7.8723 C   0  0  0  0  0
  -13.2445   -8.2704    8.2862 C   0  0  0  0  0
  -14.3873   -8.1558    7.5041 C   0  0  0  0  0
  -14.3671   -7.4344    6.3157 C   0  0  0  0  0
  -13.1805   -6.8228    5.9046 C   0  0  0  0  0
  -15.5213   -8.7751    7.9399 O   0  0  0  0  0
  -10.4468   -8.1458    4.4170 N   0  0  0  0  0
   -5.2736    0.1261   -1.2293 H   0  0  0  0  0
   -5.1445   -1.6228   -0.9844 H   0  0  0  0  0
   -4.1479   -0.5157   -0.0191 H   0  0  0  0  0
   -7.2032   -0.6838    0.0694 H   0  0  0  0  0
   -6.2206    0.4108    1.0446 H   0  0  0  0  0
   -5.1315   -1.5294    2.1697 H   0  0  0  0  0
   -6.0305   -2.6444    1.1409 H   0  0  0  0  0
   -8.1850   -1.5777    2.0580 H   0  0  0  0  0
   -7.1940   -0.7239    3.2269 H   0  0  0  0  0
   -7.1645   -3.7554    2.8856 H   0  0  0  0  0
   -5.1174   -2.3106    6.0844 H   0  0  0  0  0
   -7.8135   -1.1044    5.7356 H   0  0  0  0  0
   -6.3883   -0.0926    5.5909 H   0  0  0  0  0
   -6.1211   -0.2225    9.2696 H   0  0  0  0  0
   -4.8539    1.4997    8.7979 H   0  0  0  0  0
   -4.7371    1.1404    5.7806 H   0  0  0  0  0
   -3.7975    0.1018    6.8542 H   0  0  0  0  0
   -1.2290    1.2469    7.0097 H   0  0  0  0  0
   -0.5365    3.6921    7.2204 H   0  0  0  0  0
   -2.5435    5.2525    7.1741 H   0  0  0  0  0
   -7.7685    3.5165    7.9954 H   0  0  0  0  0
   -7.1673    4.3088   10.0600 H   0  0  0  0  0
   -4.3236    3.2649    9.8774 H   0  0  0  0  0
   -5.5973    2.3222   10.6445 H   0  0  0  0  0
   -3.2853    5.0465   11.0698 H   0  0  0  0  0
   -1.9755    6.5886   12.4891 H   0  0  0  0  0
   -1.6871    7.8079   14.6123 H   0  0  0  0  0
   -3.3733    7.5840   16.4183 H   0  0  0  0  0
   -5.3450    6.1395   16.1012 H   0  0  0  0  0
   -6.6607    4.5786   14.6751 H   0  0  0  0  0
   -6.9445    3.3468   12.5765 H   0  0  0  0  0
   -6.0333    6.2647    7.0975 H   0  0  0  0  0
   -8.3216    6.6999    7.0536 H   0  0  0  0  0
   -8.5282    6.0453   10.0146 H   0  0  0  0  0
   -9.0378    4.9368    8.7361 H   0  0  0  0  0
  -10.5206    6.7284    7.7962 H   0  0  0  0  0
  -10.1216    7.7562    9.1670 H   0  0  0  0  0
  -11.0774    6.1052   10.7329 H   0  0  0  0  0
  -11.3557    4.9493    9.4476 H   0  0  0  0  0
  -12.1688    5.0356    7.4404 H   0  0  0  0  0
  -13.4982    5.6029    6.6195 H   0  0  0  0  0
  -14.7597    7.4606    9.0634 H   0  0  0  0  0
  -15.2684    6.1811    8.1279 H   0  0  0  0  0
   -6.6278    9.7481    8.1194 H   0  0  0  0  0
   -7.1705   10.2041    5.9988 H   0  0  0  0  0
   -7.4048    7.2373    5.3034 H   0  0  0  0  0
   -5.8816    8.0719    5.4351 H   0  0  0  0  0
   -8.6479    7.3062    3.3143 H   0  0  0  0  0
   -9.6764    7.0871    1.0782 H   0  0  0  0  0
   -9.8341    7.8034   -1.2752 H   0  0  0  0  0
   -8.3810    9.6261   -2.1249 H   0  0  0  0  0
   -6.7705   10.7310   -0.6211 H   0  0  0  0  0
   -5.7344   10.9522    1.6316 H   0  0  0  0  0
   -5.5411   10.2207    3.9585 H   0  0  0  0  0
  -10.7227   10.0497    6.9540 H   0  0  0  0  0
  -10.1861   12.0954    7.7286 H   0  0  0  0  0
   -7.2295   11.9908    7.0070 H   0  0  0  0  0
   -7.8559   11.4823    8.5772 H   0  0  0  0  0
   -8.8574   14.6348    9.4006 H   0  0  0  0  0
  -10.7285   12.9398    4.2283 H   0  0  0  0  0
  -12.7193   13.3959    5.1252 H   0  0  0  0  0
  -12.1159   12.1654    7.8345 H   0  0  0  0  0
  -12.6998   11.2385    6.4527 H   0  0  0  0  0
  -14.6937   12.7386    6.3287 H   0  0  0  0  0
  -14.0672   13.7022    7.6621 H   0  0  0  0  0
  -14.0999   11.6420    9.1284 H   0  0  0  0  0
  -14.8320   10.7257    7.8310 H   0  0  0  0  0
  -16.4825   10.8082    6.5662 H   0  0  0  0  0
  -18.1320   10.8929    6.8171 H   0  0  0  0  0
  -18.0890   13.2134    9.1952 H   0  0  0  0  0
  -18.7461   13.0605    7.6700 H   0  0  0  0  0
  -11.2450   16.4799    6.4073 H   0  0  0  0  0
  -12.0252   17.1536    4.4570 H   0  0  0  0  0
  -12.4288   14.3268    3.3498 H   0  0  0  0  0
  -10.9064   15.1836    3.2916 H   0  0  0  0  0
  -10.6771   17.2398    1.8835 H   0  0  0  0  0
  -11.5004   18.4504   -0.0996 H   0  0  0  0  0
  -13.7538   17.9693   -1.0155 H   0  0  0  0  0
  -15.1882   16.2538    0.0600 H   0  0  0  0  0
  -14.3846   15.0280    2.0410 H   0  0  0  0  0
  -15.4107   17.0525    5.7367 H   0  0  0  0  0
  -12.7682   18.3833    6.1212 H   0  0  0  0  0
  -14.3450   18.8794    6.7570 H   0  0  0  0  0
  -15.9062   20.0191    5.3458 H   0  0  0  0  0
  -15.3420   20.6942    3.8468 H   0  0  0  0  0
   -8.9898   -2.1260    4.4809 H   0  0  0  0  0
  -10.4394   -5.6524    3.5063 H   0  0  0  0  0
  -10.3407   -4.7688    1.2222 H   0  0  0  0  0
   -7.3645   -5.4491    1.2868 H   0  0  0  0  0
   -8.1313   -3.8774    0.9338 H   0  0  0  0  0
   -8.3183   -5.2143   -0.1800 H   0  0  0  0  0
   -9.0869   -7.5322    1.6101 H   0  0  0  0  0
   -9.9105   -6.9555    0.1533 H   0  0  0  0  0
  -10.8197   -7.1396    1.6501 H   0  0  0  0  0
   -7.4758   -5.6218    3.6816 H   0  0  0  0  0
   -9.4708   -8.0802    6.2340 H   0  0  0  0  0
  -10.9439   -5.4719    5.5548 H   0  0  0  0  0
  -10.1805   -5.8997    7.0518 H   0  0  0  0  0
  -11.1660   -7.7688    8.4891 H   0  0  0  0  0
  -13.2766   -8.8335    9.2147 H   0  0  0  0  0
  -15.2556   -7.3385    5.6998 H   0  0  0  0  0
  -13.1719   -6.2597    4.9736 H   0  0  0  0  0
  -16.2294   -8.6134    7.2955 H   0  0  0  0  0
  -11.0947   -7.5600    3.8983 H   0  0  0  0  0
  -11.0448   -8.8366    4.8760 H   0  0  0  0  0
  1  2  1  0  0  0
  1118  1  0  0  0
  1119  1  0  0  0
  1120  1  0  0  0
  2  3  1  0  0  0
  2121  1  0  0  0
  2122  1  0  0  0
  3  4  1  0  0  0
  3123  1  0  0  0
  3124  1  0  0  0
  4  5  1  0  0  0
  4125  1  0  0  0
  4126  1  0  0  0
  5 98  1  0  0  0
  5  6  1  0  0  0
  5127  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8128  1  0  0  0
  9 10  1  0  0  0
  9129  1  0  0  0
  9130  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12131  1  0  0  0
 13 20  1  0  0  0
 13 14  1  0  0  0
 13132  1  0  0  0
 14 15  1  0  0  0
 14133  1  0  0  0
 14134  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16135  1  0  0  0
 17 18  1  0  0  0
 17136  1  0  0  0
 18 19  2  0  0  0
 18137  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22138  1  0  0  0
 23 35  1  0  0  0
 23 24  1  0  0  0
 23139  1  0  0  0
 24 25  1  0  0  0
 24140  1  0  0  0
 24141  1  0  0  0
 25 34  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26142  1  0  0  0
 27 32  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 28143  1  0  0  0
 29 30  2  0  0  0
 29144  1  0  0  0
 30 31  1  0  0  0
 30145  1  0  0  0
 31 32  2  0  0  0
 31146  1  0  0  0
 32 33  1  0  0  0
 33 34  2  0  0  0
 33147  1  0  0  0
 34148  1  0  0  0
 35 37  1  0  0  0
 35 36  2  0  0  0
 37 38  1  0  0  0
 37149  1  0  0  0
 38 46  1  0  0  0
 38 39  1  0  0  0
 38150  1  0  0  0
 39 40  1  0  0  0
 39151  1  0  0  0
 39152  1  0  0  0
 40 41  1  0  0  0
 40153  1  0  0  0
 40154  1  0  0  0
 41 42  1  0  0  0
 41155  1  0  0  0
 41156  1  0  0  0
 42 43  2  0  0  0
 43 45  1  0  0  0
 43 44  1  0  0  0
 44157  1  0  0  0
 44158  1  0  0  0
 45159  1  0  0  0
 45160  1  0  0  0
 46 48  1  0  0  0
 46 47  2  0  0  0
 48 49  1  0  0  0
 48161  1  0  0  0
 49 61  1  0  0  0
 49 50  1  0  0  0
 49162  1  0  0  0
 50 51  1  0  0  0
 50163  1  0  0  0
 50164  1  0  0  0
 51 60  1  0  0  0
 51 52  2  0  0  0
 52 53  1  0  0  0
 52165  1  0  0  0
 53 58  1  0  0  0
 53 54  2  0  0  0
 54 55  1  0  0  0
 54166  1  0  0  0
 55 56  2  0  0  0
 55167  1  0  0  0
 56 57  1  0  0  0
 56168  1  0  0  0
 57 58  2  0  0  0
 57169  1  0  0  0
 58 59  1  0  0  0
 59 60  2  0  0  0
 59170  1  0  0  0
 60171  1  0  0  0
 61 63  1  0  0  0
 61 62  2  0  0  0
 63 64  1  0  0  0
 63172  1  0  0  0
 64 69  1  0  0  0
 64 65  1  0  0  0
 64173  1  0  0  0
 65 66  1  0  0  0
 65174  1  0  0  0
 65175  1  0  0  0
 66 68  1  0  0  0
 66 67  2  0  0  0
 68176  1  0  0  0
 69 71  1  0  0  0
 69 70  2  0  0  0
 71 72  1  0  0  0
 71177  1  0  0  0
 72 80  1  0  0  0
 72 73  1  0  0  0
 72178  1  0  0  0
 73 74  1  0  0  0
 73179  1  0  0  0
 73180  1  0  0  0
 74 75  1  0  0  0
 74181  1  0  0  0
 74182  1  0  0  0
 75 76  1  0  0  0
 75183  1  0  0  0
 75184  1  0  0  0
 76 77  2  0  0  0
 77 79  1  0  0  0
 77 78  1  0  0  0
 78185  1  0  0  0
 78186  1  0  0  0
 79187  1  0  0  0
 79188  1  0  0  0
 80 82  1  0  0  0
 80 81  2  0  0  0
 82 83  1  0  0  0
 82189  1  0  0  0
 83 91  1  0  0  0
 83 84  1  0  0  0
 83190  1  0  0  0
 84 85  1  0  0  0
 84191  1  0  0  0
 84192  1  0  0  0
 85 86  2  0  0  0
 85 90  1  0  0  0
 86 87  1  0  0  0
 86193  1  0  0  0
 87 88  2  0  0  0
 87194  1  0  0  0
 88 89  1  0  0  0
 88195  1  0  0  0
 89 90  2  0  0  0
 89196  1  0  0  0
 90197  1  0  0  0
 91 93  1  0  0  0
 91 92  2  0  0  0
 93 94  1  0  0  0
 93198  1  0  0  0
 94 95  1  0  0  0
 94199  1  0  0  0
 94200  1  0  0  0
 95 97  1  0  0  0
 95 96  2  0  0  0
 97201  1  0  0  0
 97202  1  0  0  0
 98 99  1  0  0  0
 98203  1  0  0  0
 99101  1  0  0  0
 99100  2  0  0  0
101105  1  0  0  0
101102  1  0  0  0
101204  1  0  0  0
102104  1  0  0  0
102103  1  0  0  0
102205  1  0  0  0
103206  1  0  0  0
103207  1  0  0  0
103208  1  0  0  0
104209  1  0  0  0
104210  1  0  0  0
104211  1  0  0  0
105106  1  0  0  0
105212  1  0  0  0
106108  1  0  0  0
106107  2  0  0  0
108117  1  0  0  0
108109  1  0  0  0
108213  1  0  0  0
109110  1  0  0  0
109214  1  0  0  0
109215  1  0  0  0
110111  2  0  0  0
110115  1  0  0  0
111112  1  0  0  0
111216  1  0  0  0
112113  2  0  0  0
112217  1  0  0  0
113114  1  0  0  0
113116  1  0  0  0
114115  2  0  0  0
114218  1  0  0  0
115219  1  0  0  0
116220  1  0  0  0
117221  1  0  0  0
117222  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2370967

>  <PubChem CID>
73345514

>  <Formula>
C81H105N21O15

>  <Molecular Weight>
1612.863000

>  <IUPAC Name>


>  <XlogP>
0.2

>  <Hydrogen Bond Donors>
20

>  <Hydrogen Bond Acceptors>
19

>  <Canonical SMILES>
CCCCC(C(=O)NCC(=O)NC(CC1=CNC=N1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC6=CC=CC=C6)C(=O)NCC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC7=CC=C(C=C7)O)N

>  <Isomeric SMILES>
CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC4=CC5=CC=CC=C5C=C4)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)NCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC7=CC=C(C=C7)O)N

>  <InChI Std. ID>
InChI=1S/C81H105N21O15/c1-4-5-21-58(97-79(117)69(46(2)3)102-70(108)57(82)36-48-26-30-56(103)31-27-48)71(109)92-44-67(105)94-64(40-55-42-88-45-93-55)77(115)100-62(38-49-24-28-51-17-9-11-19-53(51)34-49)75(113)95-60(23-14-33-90-81(86)87)74(112)99-63(39-50-25-29-52-18-10-12-20-54(52)35-50)76(114)101-65(41-68(106)107)78(116)96-59(22-13-32-89-80(84)85)73(111)98-61(72(110)91-43-66(83)104)37-47-15-7-6-8-16-47/h6-12,15-20,24-31,34-35,42,45-46,57-65,69,103H,4-5,13-14,21-23,32-33,36-41,43-44,82H2,1-3H3,(H2,83,104)(H,88,93)(H,91,110)(H,92,109)(H,94,105)(H,95,113)(H,96,116)(H,97,117)(H,98,111)(H,99,112)(H,100,115)(H,101,114)(H,102,108)(H,106,107)(H4,84,85,89)(H4,86,87,90)/t57-,58-,59-,60-,61-,62+,63+,64-,65-,69-/m0/s1

>  <InChI Key>
AMDDROJLTSPHMK-NKFGBWFHSA-N

