HMDB0056170 RDKit 3D DG(16:1n7/0:0/22:5n6) 114113 0 0 0 0 0 0 0 0999 V2000 16.2969 -1.4980 -3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9657 -1.6307 -2.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6716 -0.8670 -1.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3398 -1.0051 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0438 -0.2560 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8242 -0.4530 1.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8396 -1.0023 2.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6272 -1.6087 1.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3372 -1.7447 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3485 -1.1596 -0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4010 -0.2619 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4822 1.0373 -0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5533 1.6988 -1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1660 1.2870 -1.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6446 0.0286 -0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7524 -0.1408 0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0689 0.8327 1.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3104 2.2353 0.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 3.1772 0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0522 2.9674 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1566 3.6579 1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2634 3.5292 0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6261 3.0701 -0.2155 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 3.9109 1.7491 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6368 3.9338 1.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3515 2.6733 1.2430 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7539 3.0292 1.2535 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1397 1.5022 2.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 0.4892 1.7377 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1341 -0.1148 0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2926 0.2572 -0.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 -1.1587 0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8392 -1.7753 1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6389 -0.8604 2.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6799 -0.0378 1.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7523 -0.8456 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7846 0.0142 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0427 0.0486 -1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3783 -0.7330 -2.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1963 -1.6273 -2.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9858 -2.7072 -2.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1084 -2.3355 -1.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1235 -1.4636 -2.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2836 -1.1562 -1.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0798 -0.4919 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3205 -1.2088 1.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7948 -0.5005 -3.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0484 -2.2796 -3.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4029 -1.6153 -4.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7896 -1.1639 -1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8161 -2.6959 -1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9132 -1.3257 -2.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8486 0.1674 -2.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1594 -0.5105 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2452 -2.0715 -0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2738 0.8379 -0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2603 -0.6258 -0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6483 -0.0590 2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9344 -1.0152 3.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7582 -1.2659 2.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7069 -2.7218 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9716 -2.4313 -0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1782 -1.3021 -1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7506 -0.0901 1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4812 -0.7695 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4970 1.5072 -0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8503 2.7120 -1.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0768 1.2204 -2.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 2.1754 -1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0369 -0.9070 -1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4886 -1.2204 0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3015 0.5653 2.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9435 0.6061 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3438 2.6092 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8012 4.2498 0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7935 1.9203 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8191 3.4792 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3726 4.7636 1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 3.2573 2.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9665 4.7078 0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1249 4.3897 2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1252 2.4436 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8342 3.8522 0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1151 1.0539 1.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1816 1.7251 3.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5258 -1.9286 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8140 -0.7401 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1076 -2.2892 1.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4253 -2.6297 0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9478 -0.2096 2.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1723 -1.4918 2.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2266 0.7197 0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1713 0.5705 2.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3588 -1.6456 0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2572 -1.4155 1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3585 0.6559 0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8414 0.7462 -1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8837 -0.0049 -2.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4458 -1.2622 -1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8134 -1.0077 -3.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4569 -2.1204 -3.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3110 -3.4129 -1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4382 -3.3003 -3.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6167 -3.3067 -1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6874 -1.9225 -0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5999 -0.5011 -2.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5434 -1.9324 -3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0569 -0.5222 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9002 -2.0990 -1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1125 -0.2991 0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6790 0.5497 -0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2968 -2.3033 1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8289 -1.0874 2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3452 -0.7185 1.2956 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 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 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 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 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 17 73 1 0 18 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 25 80 1 0 25 81 1 0 26 82 1 6 27 83 1 0 28 84 1 0 28 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 46114 1 0 M END