HMDB0101525 RDKit 3D TG(15:0/14:0/10:0) 128127 0 0 0 0 0 0 0 0999 V2000 1.9262 -0.2126 9.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0519 0.9682 10.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2894 0.6047 10.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1355 -0.2821 9.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 0.1175 8.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 0.2870 7.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3291 0.6516 5.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 0.8229 4.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1834 1.1726 3.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3971 1.3727 2.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3495 0.0974 2.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1315 0.2625 0.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8788 -1.0171 0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 -0.8123 -0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6629 -0.4908 -2.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 0.7115 -2.1574 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 -1.4104 -2.8949 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1769 -0.9855 -3.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3631 -2.0697 -4.7528 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0302 -3.1721 -3.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1075 -3.9491 -3.2547 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5848 -4.9672 -2.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8473 -5.1053 -2.3784 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -5.8515 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0453 -5.1948 -0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9472 -6.1764 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7424 -5.5617 1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 -4.9652 2.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9453 -4.4036 3.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -3.7750 4.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4302 -3.2571 5.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -2.2269 4.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3582 -1.4257 -5.5158 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3503 -1.2006 -6.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3454 -1.6053 -7.5049 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5016 -0.4973 -7.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2041 0.9807 -7.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 1.3633 -8.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6982 2.8333 -8.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4968 3.4334 -6.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2545 4.9093 -7.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0269 5.6766 -5.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 5.7299 -4.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2422 6.2614 -4.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2144 5.5971 -5.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5874 6.3103 -5.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5569 5.6332 -6.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1908 5.6253 -8.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3228 -0.6168 10.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4419 -1.0123 9.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 0.1672 9.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5727 1.5101 10.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9953 1.7474 9.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1368 0.1756 11.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8271 1.5920 10.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6614 -1.3365 9.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0836 -0.5372 10.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -0.5947 8.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1229 1.1068 8.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -0.7048 7.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1665 1.1076 7.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8977 1.5492 6.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0362 -0.1850 5.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2806 -0.0494 4.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2614 1.7247 5.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 0.3708 3.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7891 2.0710 3.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 2.2442 2.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1424 1.5393 1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4435 -0.6634 1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9569 -0.3025 2.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4287 0.5464 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8776 1.1064 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5734 -1.3201 1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1174 -1.7992 0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2728 0.0752 -0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2736 -1.6718 -1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6781 -0.4183 -3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7174 -0.2807 -4.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 -2.4082 -5.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5309 -3.8414 -4.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8468 -2.7742 -3.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -6.6284 -1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0294 -6.4123 -2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3559 -4.7581 0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6707 -4.3999 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 -6.6767 -0.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3153 -6.9949 0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4618 -4.8078 0.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4091 -6.3368 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2351 -4.1778 2.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3456 -5.7792 2.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6545 -3.7289 2.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5674 -5.2540 3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 -2.9100 4.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7033 -4.5278 5.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9033 -2.7019 6.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0602 -4.0804 5.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 -1.5331 4.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7642 -1.5756 5.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9935 -2.6537 4.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5408 -0.8741 -8.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4536 -0.6616 -7.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1048 1.5263 -7.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 1.3430 -6.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.9009 -7.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8842 0.9415 -9.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4567 3.4216 -8.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2731 3.0202 -8.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3884 2.9354 -6.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 3.2065 -6.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 5.3384 -7.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7338 4.9257 -7.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1811 6.7602 -6.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0627 5.4136 -5.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3527 6.3921 -3.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9438 4.7589 -4.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7058 6.1947 -3.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 7.3877 -5.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9201 5.8155 -6.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3059 4.5327 -5.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3843 7.3504 -6.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9653 6.2674 -4.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5319 6.1866 -6.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7462 4.5905 -6.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 6.3644 -8.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9277 4.6162 -8.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 5.9653 -8.6344 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 19 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 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 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 6 61 1 0 7 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 18 78 1 0 18 79 1 0 19 80 1 6 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 0 25 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 32101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 48128 1 0 M END