HMDB0029336 RDKit 3D Nummularine A 96 99 0 0 0 0 0 0 0 0999 V2000 3.1631 -1.9494 -4.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -1.7734 -3.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9413 -1.7087 -1.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5263 -2.8924 -1.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4861 -0.4436 -1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4723 -0.5621 0.0411 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8197 -0.6671 1.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1638 -1.7151 1.9952 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 0.1356 1.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9082 1.1303 2.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4232 0.2977 3.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4428 -0.8459 3.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2374 -0.7419 2.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4324 -1.3811 2.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 -2.1482 2.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1637 -1.2848 0.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1362 -2.4312 0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 -3.7536 0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4169 -4.8475 0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3518 -3.8321 -0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -0.0152 0.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7064 0.4181 1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 -0.4381 2.3877 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4719 1.6521 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 2.6189 0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2589 2.1622 -1.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2086 1.7135 -1.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3678 1.2806 -3.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6205 1.3066 -3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7154 1.7529 -3.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5397 2.1858 -1.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9272 1.4042 1.3099 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2905 0.8001 2.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6176 2.3090 2.3526 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7497 2.5551 1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 2.8471 2.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1243 3.1002 1.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1317 3.0541 0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3781 3.3188 -0.3264 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5069 3.6016 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9799 2.7650 -0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7907 2.5223 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3411 2.6991 -1.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0165 1.7752 -2.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2534 0.4237 -2.6361 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9421 -0.3855 -1.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8371 -1.2114 -1.0648 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 -1.0671 -4.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1173 -2.7958 -4.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 -2.1854 -3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -0.8985 -3.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2368 -2.6402 -3.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 -1.6798 -1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1151 -2.6336 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7435 -3.6263 -0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 -3.4877 -1.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9543 0.4539 -1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1136 -1.9061 2.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0475 0.5067 0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 1.4759 2.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3459 0.8845 4.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4698 -0.0215 3.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 -0.6715 4.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 -1.8237 3.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3994 -1.3928 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.2890 -0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9088 -2.5031 1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8969 -3.9834 1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8564 -5.8131 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0135 -5.0337 1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0471 -4.7053 -0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6865 -3.4211 -1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4462 -3.3182 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1206 -4.9096 -0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8042 -0.1846 3.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 2.1983 2.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 3.5353 0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 3.0125 0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2068 1.6947 -1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5043 0.9342 -3.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8014 0.9704 -4.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6846 1.7521 -3.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3827 2.5327 -1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4491 2.3018 1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 1.2544 3.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3012 -0.2924 2.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3576 1.1035 2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 2.9182 3.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0286 3.3237 2.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7264 2.7953 1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4155 3.6564 -0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3151 4.5504 0.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8014 2.3548 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0048 3.5572 -2.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5575 2.1310 -3.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7302 -1.4156 -1.4618 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 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 16 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 24 32 1 0 32 33 1 0 10 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 38 41 1 0 41 42 2 0 41 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 46 47 1 0 46 5 1 0 13 9 1 0 31 26 1 0 42 35 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 8 58 1 0 9 59 1 0 10 60 1 0 11 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 16 65 1 0 17 66 1 0 17 67 1 0 18 68 1 0 19 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 20 74 1 0 23 75 1 0 24 76 1 0 25 77 1 0 25 78 1 0 27 79 1 0 28 80 1 0 29 81 1 0 30 82 1 0 31 83 1 0 32 84 1 0 33 85 1 0 33 86 1 0 33 87 1 0 36 88 1 0 37 89 1 0 40 90 1 0 40 91 1 0 40 92 1 0 42 93 1 0 43 94 1 0 44 95 1 0 47 96 1 0 M END