HMDB0011301 RDKit 3D PC(P-18:1(11Z)/P-18:1(9Z)) 136135 0 0 0 0 0 0 0 0999 V2000 5.0572 0.1384 5.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9986 0.3144 6.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 -0.9377 7.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9265 -0.9662 6.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 -2.1952 7.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8174 -2.1825 6.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0386 -2.1866 5.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6101 -1.2327 4.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1253 -0.0835 4.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4998 1.2607 4.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 1.6074 3.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 1.6364 2.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2624 2.0482 0.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5116 2.0625 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1113 2.5154 -1.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 2.5033 -2.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 2.9505 -3.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0889 2.0462 -4.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 0.7658 -4.2067 O 0 0 0 0 0 0 0 0 0 0 0 0 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1 0 34 35 1 0 35 36 2 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 43 44 2 0 44 45 1 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 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 20 86 1 0 20 87 1 0 21 88 1 6 22 89 1 0 22 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 31 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 33103 1 0 35104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 52136 1 0 M CHG 2 26 -1 30 1 M END