HMDB0061407 RDKit 3D PC(DiMe(11,5)/MonoMe(9,5)) 148149 0 0 0 0 0 0 0 0999 V2000 1.8859 4.6667 0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0156 3.7848 1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 2.5755 1.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 1.5612 2.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0612 0.8071 2.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2058 1.5231 2.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0205 1.8054 3.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1078 2.4710 2.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2755 2.9986 3.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9493 2.5894 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9301 3.2627 0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2058 2.5982 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1943 1.3412 -0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5853 0.1130 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2713 -0.2872 1.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7075 -1.6614 1.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3847 -2.0947 2.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0379 -3.4687 3.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6419 -3.8036 3.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 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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 22 93 1 0 23 94 1 0 23 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 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