HMDB0011309 RDKit 3D PC(P-18:1(9Z)/18:1(9Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -0.7020 4.4440 -10.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4755 3.5629 -9.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 2.2007 -10.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3783 1.3289 -10.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5684 0.9687 -8.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6446 0.1096 -7.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7621 0.3448 -7.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1671 1.5346 -6.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6302 1.6250 -6.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2124 1.5770 -5.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 1.4255 -4.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7346 2.5634 -3.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1621 2.7805 -2.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8092 1.5838 -2.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0569 1.2140 -0.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 0.0510 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9799 0.2434 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2262 0.2130 1.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2228 0.0070 2.4966 O 0 0 0 0 0 0 0 0 0 0 0 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0 30 32 1 0 30 33 1 0 21 34 1 0 34 35 1 0 35 36 2 0 35 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 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 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 6 66 1 0 7 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 18 86 1 0 20 87 1 0 20 88 1 0 21 89 1 1 22 90 1 0 22 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 31 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 33104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 53137 1 0 M CHG 2 26 -1 30 1 M END