HMDB0250596 RDKit 3D Cutamesine 59 61 0 0 0 0 0 0 0 0999 V2000 -7.9903 2.9857 1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6035 1.7208 1.0416 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2800 1.4757 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3264 2.4322 0.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0141 2.1648 0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 0.9239 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2548 0.6229 -0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5585 0.0970 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1832 -0.2430 0.6390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -1.3755 -0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -1.4972 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3483 -1.0162 0.6193 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 0.2822 0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8914 0.3353 -0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1195 -0.4781 -0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1557 -0.4436 -1.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1413 0.5477 -1.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1206 0.5629 -2.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1429 -0.4065 -3.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1734 -1.3805 -3.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2054 -1.3968 -2.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7016 -1.1804 1.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 -0.4101 1.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6105 -0.0478 -0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9373 0.2248 0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9202 -0.7375 0.1046 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7522 -2.0430 -0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3582 3.2625 2.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8613 3.7228 0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0753 2.9579 1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6207 3.4136 1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3069 2.9805 0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7922 1.5965 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2676 -0.0702 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 0.8663 1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -0.7701 1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2277 -2.2940 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5192 -1.3937 -1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7883 -2.5667 -0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8436 -0.9502 -1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1952 0.7298 1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 0.9073 -0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5532 0.0711 -1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2269 1.4126 -0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 -1.5346 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6035 -0.1341 0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1004 1.2856 -0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8728 1.3364 -2.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8880 -0.4277 -4.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2073 -2.1391 -4.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4541 -2.1644 -2.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5479 -2.2493 2.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3799 -0.7527 2.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3072 -1.0386 2.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4752 0.5608 2.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4236 -1.0484 -0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7091 -2.5226 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2716 -2.7335 0.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 -2.0336 -1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 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 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 12 22 1 0 22 23 1 0 6 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 25 3 1 0 23 9 1 0 21 16 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 5 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 17 47 1 0 18 48 1 0 19 49 1 0 20 50 1 0 21 51 1 0 22 52 1 0 22 53 1 0 23 54 1 0 23 55 1 0 24 56 1 0 27 57 1 0 27 58 1 0 27 59 1 0 M END