HMDB0061404 RDKit 3D PC(DiMe(11,5)/MonoMe(11,3)) 148149 0 0 0 0 0 0 0 0999 V2000 4.5578 7.8453 -4.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4098 8.7927 -4.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3262 8.4247 -3.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 8.5046 -1.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9157 8.2085 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 6.8536 -0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7778 5.7879 -0.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0748 4.7089 -0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 3.3630 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1614 2.4565 -0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5296 2.1929 -2.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.2475 -2.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5802 -0.0676 -2.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4193 -0.9458 -3.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8161 -1.2699 -4.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5005 -2.0338 -4.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -3.3107 -3.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -4.0766 -3.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6958 -5.3272 -2.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 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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 22 93 1 0 22 94 1 0 23 95 1 0 24 96 1 0 24 97 1 0 28 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 33103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 35111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 54138 1 0 55139 1 0 57140 1 0 57141 1 0 57142 1 0 59143 1 0 59144 1 0 59145 1 0 61146 1 0 61147 1 0 61148 1 0 M CHG 1 32 1 M END