HMDB0011225 RDKit 3D PC(P-16:0/22:2(13Z,16Z)) 143142 0 0 0 0 0 0 0 0999 V2000 14.6011 -6.6827 -1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5492 -6.3884 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9869 -5.2859 0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8181 -4.0669 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2677 -2.9367 0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9749 -3.3432 1.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8575 -2.7232 1.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7410 -1.5163 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2156 -0.3545 1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1287 0.2968 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2628 -0.0361 -0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8898 -0.3570 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8845 -0.7229 -0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7906 0.4418 -1.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 0.3019 -2.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4033 0.0621 -2.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6186 1.0286 -1.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 1.2404 -0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0893 2.2881 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 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10.5766 0.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 9.0838 0.4329 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 1 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 27 28 1 0 28 29 2 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 41 42 1 0 42 43 1 0 25 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 26 96 1 0 26 97 1 0 28 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 53135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 55143 1 0 M CHG 2 48 -1 52 1 M END