HMDB0011217 RDKit 3D PC(P-16:0/20:2(11Z,14Z)) 137136 0 0 0 0 0 0 0 0999 V2000 3.2188 2.5473 -8.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7133 2.7666 -8.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4676 1.7876 -7.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1475 1.6757 -6.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3185 2.8253 -5.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5499 4.0210 -5.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 4.4756 -4.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4529 3.7969 -3.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 4.7562 -2.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9748 5.1735 -1.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 4.7803 -1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2476 4.1000 0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2286 3.7690 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6828 3.1013 1.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1589 2.7664 1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6201 2.1107 2.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9203 0.8192 2.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1639 -0.1599 1.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5522 -1.4933 2.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0987 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29 1 0 29 30 1 0 30 31 1 0 31 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 23 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 50 51 1 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 6 24 90 1 0 24 91 1 0 26 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 51129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 53137 1 0 M CHG 2 46 -1 50 1 M END