HMDB0061391 RDKit 3D PC(DiMe(11,3)/DiMe(11,5)) 151152 0 0 0 0 0 0 0 0999 V2000 -4.2452 3.1248 -5.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7105 1.6936 -5.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3098 0.8026 -6.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9667 1.3048 -8.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 1.3532 -8.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7937 0.0656 -8.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 -0.3411 -7.5528 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4737 -1.5411 -7.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5409 -2.3716 -7.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2484 -3.4622 -6.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -3.4228 -4.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2394 -2.5459 -3.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -1.0911 -4.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4726 -0.7561 -4.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8776 -1.0023 -2.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3493 -0.8769 -2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0037 -1.0147 -1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6251 -2.1560 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4106 -1.8389 0.5996 C 0 0 0 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1 0 61 62 1 0 61 6 2 0 45 37 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 22 94 1 0 23 95 1 0 23 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 42123 1 0 44124 1 0 44125 1 0 44126 1 0 46127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 51132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 56137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 57142 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 55 1 M END