HMDB0113308 RDKit 3D PE-NMe(20:1(11Z)/14:0) 128127 0 0 0 0 0 0 0 0999 V2000 15.0335 -2.8750 2.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4936 -2.8406 1.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2740 -2.9109 0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9027 -2.8478 -0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8998 -3.8609 0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4584 -4.0496 1.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8644 -2.8071 2.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6474 -2.3701 1.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0366 -1.1549 2.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9332 -0.0295 1.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4078 0.1470 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 0.5357 -1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6716 1.8348 -0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6129 2.2842 -1.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2465 1.7537 -1.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 0.3182 -1.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 -0.5483 -0.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8408 -0.6590 0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0987 0.4468 0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 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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 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 0 23 89 1 0 24 90 1 0 25 91 1 0 25 92 1 0 29 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 34101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 M END