HMDB0253196 RDKit 3D Bisbenzimide 62 67 0 0 0 0 0 0 0 0999 V2000 10.9363 0.3109 2.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3001 0.7428 1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6246 0.0286 0.2782 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -0.0256 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3461 0.6312 0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9818 0.5415 0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4819 -0.2208 -0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0416 -0.3274 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0436 0.2315 0.0692 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8508 -0.1026 -0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5307 0.2123 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -0.2940 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8956 0.0338 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2783 0.8270 0.4731 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 0.9384 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5116 1.6043 1.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8919 1.5063 1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3960 0.7504 0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7673 0.6390 -0.1584 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2720 -0.2997 -1.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7477 -0.5722 -0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0997 -0.6438 0.4492 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5457 -0.7114 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6347 0.4209 1.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7472 1.4260 0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4615 0.0845 -0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1024 0.1723 -0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0226 -0.3689 -1.1472 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8011 -1.1152 -1.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 -1.4361 -2.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1411 -0.9269 -1.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4832 -1.0452 -1.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3893 -0.8663 -1.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7525 -0.7799 -0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8352 -0.0663 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1207 -0.4491 2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5671 1.1887 3.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1466 1.8383 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3941 0.5191 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7003 1.2317 1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2636 1.0516 1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3243 0.8660 0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1248 2.2056 2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4976 2.0649 1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1774 0.1962 -2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6914 -1.2345 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3908 0.1345 -1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9395 -1.5846 -1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9968 0.2317 0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8084 -0.8576 1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9747 -1.5386 -0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0460 0.0690 2.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4945 1.0548 1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3871 2.0111 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3749 2.1110 1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8238 -0.5111 -1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -0.9958 -1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0238 -1.5104 -2.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3528 -2.0834 -3.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0428 -1.6080 -2.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0567 -1.4853 -1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4552 -1.2986 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 18 26 1 0 26 27 2 0 27 28 1 0 12 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 7 33 1 0 33 34 2 0 34 4 1 0 32 8 1 0 31 10 1 0 28 13 1 0 27 15 1 0 25 19 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 5 40 1 0 6 41 1 0 11 42 1 0 16 43 1 0 17 44 1 0 20 45 1 0 20 46 1 0 21 47 1 0 21 48 1 0 23 49 1 0 23 50 1 0 23 51 1 0 24 52 1 0 24 53 1 0 25 54 1 0 25 55 1 0 26 56 1 0 28 57 1 0 29 58 1 0 30 59 1 0 32 60 1 0 33 61 1 0 34 62 1 0 M END