HMDB0029334 RDKit 3D Nummularine B 84 87 0 0 0 0 0 0 0 0999 V2000 7.3349 2.2796 -3.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8673 1.3585 -2.3811 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5411 1.6870 -1.8879 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6064 1.5623 -3.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1183 0.7864 -0.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8512 -0.1759 -0.4749 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9115 1.0108 -0.1276 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4591 0.1144 0.9933 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0556 -0.1369 0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5104 0.4717 -0.2395 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1632 -0.9801 1.4847 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4502 -1.7841 2.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3506 -2.8424 2.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 -2.2192 1.9538 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4940 -3.2963 1.3321 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5992 -3.1822 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2952 -3.6284 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2228 -3.5918 -1.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4506 -3.1008 -1.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3891 -3.0731 -2.5524 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0277 -3.5319 -3.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8038 -2.6374 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8614 -2.6944 0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1704 -2.1083 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6498 -0.9527 0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9073 -0.1327 1.0426 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6167 0.1496 1.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 0.1467 2.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3587 0.4675 0.6544 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6290 1.8611 0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4916 2.3409 -0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 2.0527 -2.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3022 2.5115 -2.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3109 3.2673 -2.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4136 3.5561 -0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4921 3.0937 -0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2411 0.5336 1.5752 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9133 0.1514 1.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0359 1.0743 1.8068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2746 -1.1421 1.1655 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8221 0.8836 2.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1383 2.2025 2.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9683 0.1302 3.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2216 2.8458 -2.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5307 3.0475 -3.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5217 1.8362 -4.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8684 0.4016 -2.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5533 2.7494 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1747 0.5230 -3.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 1.6647 -4.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 2.2574 -2.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3011 1.7982 -0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1021 -0.7636 0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4612 -1.2057 3.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4415 -2.2741 2.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7391 -3.7487 2.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1302 -3.0811 3.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5719 -1.8045 2.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -4.0520 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9796 -3.9402 -2.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6443 -4.5798 -3.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1858 -2.9315 -4.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8818 -3.5321 -4.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0863 -2.4500 1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9867 -2.7232 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6948 -0.6423 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5750 0.5188 1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1968 -0.1416 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8421 2.5117 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5736 1.7872 -0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1685 1.4648 -2.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2195 2.2822 -3.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5399 3.6279 -2.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3741 4.1543 -0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5132 3.3556 0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 0.9902 2.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -1.3026 0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9252 1.2071 1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8309 3.0691 2.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4543 2.4772 1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4853 2.1893 3.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8231 0.6130 4.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1019 0.2519 4.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 -0.9341 3.3551 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 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 29 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 8 41 1 0 41 42 1 0 41 43 1 0 40 11 1 0 40 14 1 0 23 16 2 0 36 31 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 3 48 1 1 4 49 1 0 4 50 1 0 4 51 1 0 7 52 1 0 8 53 1 1 12 54 1 0 12 55 1 0 13 56 1 0 13 57 1 0 14 58 1 1 17 59 1 0 18 60 1 0 21 61 1 0 21 62 1 0 21 63 1 0 23 64 1 0 24 65 1 0 25 66 1 0 26 67 1 0 29 68 1 6 30 69 1 0 30 70 1 0 32 71 1 0 33 72 1 0 34 73 1 0 35 74 1 0 36 75 1 0 37 76 1 0 40 77 1 6 41 78 1 0 42 79 1 0 42 80 1 0 42 81 1 0 43 82 1 0 43 83 1 0 43 84 1 0 M END