HMDB0011334 RDKit 3D PC(P-18:1(9Z)/P-18:1(9Z)) 136135 0 0 0 0 0 0 0 0999 V2000 -4.1963 -5.6566 -4.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7449 -5.0376 -3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2492 -3.6142 -3.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 -3.0747 -1.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3973 -1.6424 -1.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0617 -1.1975 -0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 0.2370 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4196 0.5582 1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0585 -0.2574 2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6877 0.1344 3.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5574 1.5217 4.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2861 1.9691 4.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0659 2.0908 4.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 3.1263 3.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7202 3.1428 1.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3842 4.2521 0.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1797 4.4949 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0797 3.8265 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0614 2.5829 0.5461 O 0 0 0 0 0 0 0 0 0 0 0 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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 7 67 1 0 8 68 1 0 8 69 1 0 9 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