HMDB0061411 RDKit 3D PC(DiMe(13,5)/DiMe(9,3)) 151152 0 0 0 0 0 0 0 0999 V2000 -2.4560 1.6596 -5.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6868 2.0628 -4.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 3.3953 -3.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2883 3.8545 -2.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6655 2.8848 -1.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8337 3.2471 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6233 2.7015 0.6999 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5424 3.2370 1.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3501 2.7896 3.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4767 3.7102 3.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3506 3.2815 4.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8787 3.1913 5.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7291 2.3394 6.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8122 0.8966 5.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4968 0.1999 6.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 0.1854 7.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9832 -0.3094 8.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4244 -1.6318 8.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 -1.9582 6.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 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2 0 57 49 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 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 24 98 1 0 24 99 1 0 25100 1 0 26101 1 0 26102 1 0 30103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 35108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 37116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 54139 1 0 56140 1 0 56141 1 0 56142 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 34 1 M END