HMDB0061424 RDKit 3D PC(DiMe(9,3)/MonoMe(13,5)) 148149 0 0 0 0 0 0 0 0999 V2000 0.9059 -0.1770 -5.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9544 -1.4252 -4.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0621 -2.4414 -5.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 -3.7255 -4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 -4.6968 -4.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1139 -4.3704 -3.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -3.9876 -4.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1492 -3.7847 -3.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5783 -3.3528 -3.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3933 -4.0480 -1.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9378 -3.9354 -0.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1677 -2.5523 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6924 -2.5751 1.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9602 -3.3407 1.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4723 -3.3510 2.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5803 -3.9349 3.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2432 -5.3828 3.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3473 -5.9164 4.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0624 -5.1395 4.9096 C 0 0 0 0 0 0 0 0 0 0 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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 21 97 1 0 21 98 1 0 22 99 1 0 22100 1 0 26101 1 0 27102 1 0 27103 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 37116 1 0 37117 1 0 38118 1 0 38119 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