HMDB0030548 RDKit 3D Nepitrin 56 59 0 0 0 0 0 0 0 0999 V2000 -2.3878 -3.5529 -1.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7815 -2.4253 -2.1953 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6825 -1.7668 -1.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8453 -0.7382 -0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1002 -0.3600 -0.4023 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5259 0.6478 0.4779 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2030 0.0377 1.4958 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4313 0.5778 1.7911 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0778 -0.0958 2.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3115 0.5298 3.1843 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2879 0.4034 0.5349 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6263 0.6516 0.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7534 1.4357 -0.4393 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0545 1.0502 -1.7606 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3012 1.6915 -0.2803 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1303 2.9127 0.3674 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2927 -0.1609 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -0.5865 -0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -0.0170 -0.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 -0.3397 -0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9278 0.4030 0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6222 1.4160 1.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6199 2.1132 1.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9608 1.8555 1.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9003 2.6297 2.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2737 0.8494 0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5927 0.5495 0.3158 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 0.1279 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0856 -1.3648 -1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9847 -2.0067 -1.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2098 -2.9257 -2.6619 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 -1.6146 -1.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5821 -2.2365 -2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6656 -3.2521 -2.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7113 -4.3784 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9217 -3.2204 -0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1463 -3.9135 -2.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6221 1.1294 0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3151 1.6643 1.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2272 -1.1647 2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4626 0.0748 3.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2856 1.4865 2.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1005 -0.5894 0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0678 0.7932 -0.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3441 2.3727 -0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3986 1.4968 -2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8676 1.8304 -1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1962 3.2243 0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2416 0.6552 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5836 1.6851 1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3642 2.9117 2.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8871 2.5037 2.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3344 1.0421 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5546 -0.6497 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0887 -1.6699 -1.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 -3.7228 -3.3412 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 4 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 2 0 20 29 2 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 2 0 33 34 1 0 33 3 1 0 15 6 1 0 32 18 1 0 28 21 1 0 1 35 1 0 1 36 1 0 1 37 1 0 6 38 1 1 8 39 1 1 9 40 1 0 9 41 1 0 10 42 1 0 11 43 1 6 12 44 1 0 13 45 1 1 14 46 1 0 15 47 1 6 16 48 1 0 17 49 1 0 22 50 1 0 23 51 1 0 25 52 1 0 27 53 1 0 28 54 1 0 29 55 1 0 34 56 1 0 M END