HMDB0011442 RDKit 3D PE(P-18:1(9Z)/18:2(9Z,12Z)) 126125 0 0 0 0 0 0 0 0999 V2000 16.7727 -2.2296 -0.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2313 -1.7338 0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6688 -0.3392 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5430 -0.2214 -0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3645 -1.1101 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2583 -0.9813 -1.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0409 -0.5807 -0.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6214 -0.1734 0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5004 -0.9889 0.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 -0.5057 1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0680 0.9337 1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9606 1.3844 0.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6105 0.8468 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0815 1.1591 2.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7065 0.5550 2.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0062 0.7243 3.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6138 0.0876 3.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8106 0.7670 2.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7882 2.0338 2.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0285 0.1528 1.4031 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 0.7949 0.4502 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1090 0.3679 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2773 -0.8863 -0.2659 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0284 -1.8730 -0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2382 -1.9321 -1.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -0.6506 -1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3372 -0.8977 -0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2098 0.3401 -0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6713 1.5331 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4448 2.7806 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8152 2.8618 0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8071 1.9761 -0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4909 1.1023 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3517 0.8969 1.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8970 -0.5078 2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9491 -1.4911 1.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4691 -2.8570 2.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3274 -3.9752 1.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5995 -4.2859 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3202 -3.3730 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4804 -4.0814 -2.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1214 0.7048 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 1.3138 -1.8904 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 1.3258 -3.3524 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7774 1.1305 -3.1911 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2634 0.0126 -4.2784 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0581 2.7346 -4.2436 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0117 3.6263 -4.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 4.8170 -5.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6423 5.4144 -4.5088 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5146 -3.0433 -0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9403 -2.6700 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3050 -1.4309 -1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0254 -1.6853 1.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4389 -2.4291 0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3497 -0.0001 1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5099 0.3191 0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1840 0.8170 -0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9625 -0.5036 -1.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1768 -1.0598 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7798 -2.1654 -0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4979 -1.2668 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3204 -0.5389 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4801 -0.2973 1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4477 0.9189 0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6646 -2.0715 1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5415 -1.2210 1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7035 1.1731 2.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9255 1.6049 1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1868 1.1037 -0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9496 2.4975 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8885 1.2865 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5510 -0.2559 0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0092 2.2541 2.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6766 0.7076 2.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0431 0.9585 1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7719 -0.5338 1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5518 0.1490 4.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 1.7714 3.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1893 0.1571 4.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6874 -0.9840 3.1411 H 0 0 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1.9474 3.2137 -4.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3061 5.6025 -5.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2474 4.4692 -6.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 4.7092 -4.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4421 5.9837 -3.6571 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 1 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 23 24 1 0 24 25 2 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 2 0 33 34 1 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 21 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 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 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 21 82 1 1 22 83 1 0 22 84 1 0 24 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 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 46120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 M END