HMDB0072597 RDKit 3D TG(10:0/15:0/16:0) 134133 0 0 0 0 0 0 0 0999 V2000 -5.7123 -3.9176 6.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0455 -5.1978 6.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 -5.8308 5.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1284 -5.0577 5.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -4.5985 5.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 -3.6892 7.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -3.3150 7.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6995 -2.4014 8.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3961 -1.0868 8.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7777 -0.3480 7.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4844 0.9584 7.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9126 1.6890 5.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1204 0.9370 4.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 1.6190 3.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8673 1.8903 3.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2344 2.5594 2.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2812 3.8033 2.1283 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 1.8397 1.0249 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8466 2.3812 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0104 1.2342 -1.2351 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0503 0.2376 -0.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9851 -0.8622 -1.6804 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8598 -1.9245 -1.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7399 -1.8801 -0.6798 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8012 -3.1094 -2.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5788 -3.0152 -3.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0401 -2.8084 -3.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8151 -2.7433 -4.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2771 -2.5416 -4.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6267 -1.2662 -3.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1479 -1.1802 -3.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8396 -1.2004 -5.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4488 -0.0789 -5.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2871 1.7019 -2.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 1.5597 -3.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2647 1.0022 -3.2134 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 2.0043 -4.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3103 1.9422 -5.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7015 2.9454 -5.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1976 4.3265 -5.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9166 5.4622 -4.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3138 5.7740 -5.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3369 4.8234 -4.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7235 5.2963 -5.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7895 4.3682 -4.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6534 2.9495 -4.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7836 2.1506 -4.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7521 0.6957 -4.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9313 0.0540 -3.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0149 -1.4298 -4.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6084 -3.8625 5.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 -3.0166 6.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7776 -3.9129 6.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8935 -5.9400 7.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6093 -5.0008 7.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9620 -6.0654 4.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9052 -6.8800 6.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6227 -4.1772 4.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7273 -5.6399 4.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2939 -5.4615 6.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2666 -4.0814 5.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5762 -4.2233 7.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6335 -2.7585 6.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1215 -2.9896 6.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2289 -4.2857 7.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2902 -2.2493 9.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2932 -2.9192 9.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2535 -0.4394 9.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4662 -1.1884 8.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9974 -0.9952 6.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2893 -0.1429 7.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5755 0.8402 6.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3812 1.5908 8.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2586 2.7419 5.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 1.7670 6.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2443 0.8539 4.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7081 -0.0946 4.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1957 2.5801 3.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8916 0.9998 2.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4739 0.9903 3.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 2.6190 4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8164 2.9016 -0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0661 3.0595 -0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9953 0.7259 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0136 -0.0253 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0399 0.7491 -0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -3.3949 -2.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -4.0152 -1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 -3.8880 -4.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2198 -2.1248 -4.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1595 -1.8269 -2.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5008 -3.6195 -2.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6914 -3.7114 -5.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3778 -1.9542 -5.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7047 -3.3964 -3.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7559 -2.5251 -5.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1683 -1.2659 -2.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2738 -0.3899 -4.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4952 -2.0651 -3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4517 -0.2613 -3.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9329 -1.0725 -4.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7563 -2.2084 -5.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3040 0.1807 -6.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2372 0.8179 -5.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5956 -0.3541 -6.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 1.2058 -5.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1467 2.9220 -5.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5569 2.1844 -6.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1328 0.9366 -5.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9419 2.6333 -4.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5705 2.8093 -5.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0248 4.4847 -6.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8793 4.4149 -4.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8425 5.4297 -3.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2513 6.3835 -4.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4784 5.9840 -6.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5582 6.7779 -4.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1983 3.8020 -4.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3094 4.8446 -3.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8833 6.2853 -4.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7255 5.3914 -6.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7723 4.7908 -4.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7560 4.4039 -3.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7166 2.8192 -6.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7091 2.5083 -4.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7506 2.5832 -4.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7002 2.2228 -3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7960 0.2135 -4.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9696 0.5953 -5.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8494 0.5531 -4.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8435 0.2723 -2.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3990 -1.9655 -3.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0675 -1.7980 -4.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6429 -1.6398 -5.2088 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 1 0 5 6 1 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 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 20 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 19 82 1 0 19 83 1 0 20 84 1 6 21 85 1 0 21 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 33105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 50134 1 0 M END