HMDB0061400 RDKit 3D PC(DiMe(11,5)/DiMe(11,5)) 157158 0 0 0 0 0 0 0 0999 V2000 1.9654 -9.0215 5.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -8.6865 4.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 -9.6196 3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7985 -9.3469 2.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2956 -7.9447 2.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1473 -7.6335 0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0095 -6.8768 -0.0826 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6376 -6.7676 -1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3682 -5.9986 -2.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5968 -4.7050 -2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2789 -3.8342 -3.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4486 -2.5571 -3.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1815 -1.6825 -4.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5392 -0.3796 -5.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8396 -0.4410 -5.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 1.0145 -5.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6379 1.0117 -6.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1602 2.4234 -6.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3443 3.1451 -5.4315 C 0 0 0 0 0 0 0 0 0 0 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32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 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 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 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 51 57 2 0 57 58 1 0 57 59 1 0 59 60 1 0 8 61 2 0 61 62 1 0 61 63 1 0 63 64 1 0 63 6 2 0 59 49 2 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 9 76 1 0 9 77 1 0 10 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 22 96 1 0 22 97 1 0 23 98 1 0 24 99 1 0 24100 1 0 28101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 33106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 35114 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 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 56145 1 0 58146 1 0 58147 1 0 58148 1 0 60149 1 0 60150 1 0 60151 1 0 62152 1 0 62153 1 0 62154 1 0 64155 1 0 64156 1 0 64157 1 0 M CHG 1 32 1 M END