HMDB0061427 RDKit 3D PC(DiMe(9,5)/DiMe(11,5)) 151152 0 0 0 0 0 0 0 0999 V2000 -16.8557 -5.8368 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1550 -4.5642 -0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2780 -3.4207 -0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8339 -3.7491 -0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9512 -2.6085 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5289 -2.9403 -0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7513 -2.5172 -1.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5361 -2.9846 -1.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3371 -2.7582 -2.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3789 -1.7699 -1.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0535 -0.4349 -1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1428 0.6001 -0.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6992 0.1933 0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8071 1.1467 1.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4406 1.4069 1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 1.8818 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6135 2.1971 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7701 0.9821 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3248 1.2969 -0.3341 C 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55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 8 59 2 0 59 60 1 0 59 61 1 0 61 62 1 0 61 6 2 0 45 35 2 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 22 94 1 0 23 95 1 0 23 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 42123 1 0 44124 1 0 44125 1 0 44126 1 0 46127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 51132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 56137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 57142 1 0 58143 1 0 58144 1 0 58145 1 0 60146 1 0 60147 1 0 60148 1 0 62149 1 0 62150 1 0 62151 1 0 M CHG 1 55 1 M END