HMDB0061432 RDKit 3D PC(DiMe(9,5)/MonoMe(11,5)) 148149 0 0 0 0 0 0 0 0999 V2000 6.0386 3.8472 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7175 2.5591 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0400 1.6844 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8004 1.2824 0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2523 0.3954 1.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1104 -0.0545 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6427 0.5826 3.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5706 -0.1491 3.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 0.2338 5.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4395 -1.2153 3.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4394 -2.2948 3.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0693 -1.8576 2.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 -1.3657 1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2711 -0.9186 0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0835 -0.4009 -0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3811 0.1087 -1.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0041 1.1856 -0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2747 1.7057 -0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5101 0.9654 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 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1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 24 97 1 0 25 98 1 0 25 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 44126 1 0 46127 1 0 46128 1 0 46129 1 0 48130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 53135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 58140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 59145 1 0 60146 1 0 60147 1 0 60148 1 0 M CHG 1 57 1 M END