HMDB0101024 RDKit 3D TG(15:0/10:0/a-17:0)[rac] 137136 0 0 0 0 0 0 0 0999 V2000 1.2391 2.1214 3.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4011 2.7449 2.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 4.0744 2.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2873 4.2487 4.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2232 4.0539 5.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1322 5.0579 5.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0077 5.0388 6.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9648 3.9524 6.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 2.5782 6.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8423 1.6914 6.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 0.3089 7.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 -0.6414 7.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3111 -0.7254 5.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4486 -1.2519 4.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2305 -1.2812 3.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4116 -0.8618 3.5391 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7219 -1.7605 2.3658 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4717 -1.7750 1.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6906 -2.3664 0.0690 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6135 -2.5414 -1.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9527 -3.4925 -1.9937 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3972 -3.8505 -3.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4323 -3.2885 -3.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7159 -4.8699 -4.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -4.8998 -5.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0111 -3.6743 -6.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6604 -3.1599 -6.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 -2.6935 -5.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5631 -2.2233 -5.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6199 -1.1076 -6.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1112 0.2325 -6.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 0.7428 -5.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3588 2.1161 -4.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0835 2.2451 -4.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4776 3.6518 -4.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2101 4.6757 -5.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9481 4.4153 -6.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4633 6.0973 -4.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1678 7.0999 -5.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 -1.7878 -0.2778 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2484 -2.3120 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -3.5234 -0.1327 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -1.4300 -0.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1851 -2.1028 -0.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6038 -2.6878 0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9554 -3.3088 0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5203 -4.0332 1.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7276 -3.3906 2.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5517 -2.9248 3.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5777 -4.0546 3.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3963 -3.5682 4.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6646 1.5229 2.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5355 2.8362 3.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 1.3728 3.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1574 2.8409 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2933 2.0138 2.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0537 4.8385 2.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7098 4.3994 2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7187 5.2669 4.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1189 3.5505 4.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8888 3.0453 5.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7463 4.2279 6.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 5.0422 4.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6675 6.0740 5.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3563 5.2807 7.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5908 6.0166 5.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7882 4.2537 6.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5234 3.9378 5.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0031 2.5628 7.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 2.0815 5.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4207 2.1252 7.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3109 1.7360 5.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6169 -0.0992 6.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9387 0.3980 8.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2075 -0.2310 8.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1769 -1.6168 7.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -1.4485 6.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7916 0.2399 5.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5454 -0.6295 4.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1334 -2.2841 5.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9405 -0.8033 0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3331 -2.4795 1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4999 -3.4550 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5388 -3.0015 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7531 -1.5720 -1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1426 -5.9057 -3.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6605 -5.0171 -3.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2065 -5.3386 -5.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5175 -5.6890 -5.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6743 -2.8366 -5.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5916 -3.8828 -7.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 -3.9424 -7.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 -2.3056 -7.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5515 -3.5092 -4.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3153 -1.9266 -4.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1981 -2.0491 -5.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0182 -3.1261 -6.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7112 -0.9431 -7.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1153 -1.3141 -7.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3106 0.9594 -7.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 0.1988 -6.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6867 0.1001 -4.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 0.7604 -5.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6377 2.8599 -5.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9486 2.5076 -4.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3108 1.6056 -3.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7638 1.8982 -5.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5961 3.6252 -4.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 3.9549 -3.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1251 4.6756 -5.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2632 4.2755 -7.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5894 3.5140 -6.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5813 5.2991 -6.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5129 6.2274 -4.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 6.2783 -3.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9287 6.5527 -6.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9913 7.8156 -5.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2484 7.6890 -5.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5862 -0.9769 -1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9742 -0.5610 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 -1.4146 -1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1166 -2.8978 -1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6217 -1.7515 1.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8931 -3.3593 0.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6614 -2.4135 0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0537 -3.8887 -0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7915 -4.9070 1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -4.6343 1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4095 -2.4943 2.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2997 -4.1025 3.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 -2.5414 4.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0322 -2.1018 3.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1037 -4.8353 4.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2031 -4.5049 2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -4.3232 5.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5612 -2.6159 5.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4849 -3.4468 4.0646 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 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 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 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 19 40 1 0 40 41 1 0 41 42 2 0 41 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 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 18 81 1 0 18 82 1 0 19 83 1 1 20 84 1 0 20 85 1 0 24 86 1 0 24 87 1 0 25 88 1 0 25 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 37111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 39118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 51137 1 0 M END