HMDB0061398 RDKit 3D PC(DiMe(11,3)/MonoMe(9,5)) 142143 0 0 0 0 0 0 0 0999 V2000 -7.9060 3.9913 -1.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1576 3.8317 -2.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7790 3.2363 -2.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9985 1.8861 -1.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7059 1.2191 -1.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8593 0.9528 -2.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6161 0.3572 -2.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1195 0.2640 -3.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -0.2304 -4.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0888 0.8132 -4.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 0.9007 -6.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5608 -0.0572 -7.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4463 -1.5196 -7.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1404 -2.1178 -5.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2387 -3.5815 -5.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1484 -4.5313 -5.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 -4.6608 -4.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 -3.4781 -4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 -3.6916 -3.0449 C 0 0 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0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 39 43 2 0 43 44 1 0 43 45 1 0 45 46 1 0 22 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 10 59 1 0 59 6 1 0 45 37 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 7 71 1 0 9 72 1 0 9 73 1 0 9 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 0 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 42120 1 0 44121 1 0 44122 1 0 44123 1 0 46124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 51129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 56134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 58142 1 0 M CHG 1 55 1 M END