HMDB0056164 RDKit 3D DG(16:1n7/0:0/18:3n6) 106105 0 0 0 0 0 0 0 0999 V2000 -15.2992 -2.2519 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9617 -1.4897 -0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6578 -1.0868 -1.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3706 -0.3282 -1.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2361 -1.2151 -1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9309 -0.5410 -1.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1543 -0.2892 -0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4328 -0.6253 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4390 0.6338 1.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6278 0.8902 2.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5772 -0.0685 3.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3026 0.6189 2.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3476 0.1717 2.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4221 -1.0620 1.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2954 -2.0212 1.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9766 -1.3542 1.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8399 -1.0380 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5214 -0.3620 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 -0.1635 0.7964 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1788 0.0278 -1.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 0.6865 -1.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0705 2.0104 -1.0826 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0941 2.7587 -1.3598 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 2.7929 -1.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 2.1050 -1.3226 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9866 1.6287 -0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.8012 0.9161 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 0.9216 -0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4147 1.8836 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4244 3.0990 -0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6345 2.8923 -2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0058 2.2842 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9963 3.2588 -1.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9139 2.9768 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 1.6542 -0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5354 1.2394 -0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 -0.0898 -0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9141 -0.2091 1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3748 -1.5851 1.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8025 -1.8495 1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2234 -3.2280 1.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2960 -4.2534 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0451 -1.5814 -0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2018 -3.2122 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5705 -2.4097 0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1426 -0.6249 0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2492 -2.1965 0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5149 -0.4527 -2.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5766 -2.0068 -2.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1818 0.0415 -2.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4570 0.5571 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1920 -2.1010 -2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4410 -1.5060 -0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5813 -0.2247 -2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1850 0.2290 -0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7019 -1.3698 1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4231 -1.1092 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2233 1.3631 1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7370 1.8661 3.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7812 -0.1535 4.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7470 -1.0221 2.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2046 1.5779 3.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4198 0.7886 2.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2826 -0.8597 0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3937 -1.5966 1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3531 -2.9362 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3956 -2.3332 2.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8779 -0.4514 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 -2.0146 1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5828 -0.3356 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8824 -1.9586 -0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0978 0.7788 -2.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 0.0813 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 1.8287 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1696 3.4381 -0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 3.8272 -1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1726 2.9479 -2.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5202 0.5627 -1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3467 0.0682 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1883 2.2042 1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3428 1.3213 0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4874 3.6633 -0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2397 3.7643 -0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8546 2.2040 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6207 3.8659 -2.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0211 1.3028 -2.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1087 2.2536 -3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9027 4.2991 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6015 3.7943 -0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4581 0.8768 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0400 1.6875 0.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2743 2.0020 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6491 1.2291 -1.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2531 -0.8667 -0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9943 -0.2687 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8959 -0.0608 1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5710 0.5322 1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3633 -1.6231 2.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7307 -2.3823 1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4641 -1.0681 1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8385 -1.9201 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2634 -3.3756 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1923 -3.2187 2.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6911 -3.8701 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9086 -5.0951 0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6209 -4.6224 1.8286 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 2 0 34 35 1 0 35 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 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 16 69 1 0 17 70 1 0 17 71 1 0 21 72 1 0 21 73 1 0 22 74 1 1 23 75 1 0 24 76 1 0 24 77 1 0 28 78 1 0 28 79 1 0 29 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 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 42106 1 0 M END