HMDB0061393 RDKit 3D PC(DiMe(11,3)/DiMe(9,3)) 139140 0 0 0 0 0 0 0 0999 V2000 6.5086 2.4529 1.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9432 1.6406 2.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3781 2.1479 3.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 2.1886 3.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2192 1.2430 4.5619 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 1.5124 4.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9282 0.5590 5.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3254 -0.3823 4.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4645 0.2991 3.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7124 0.8904 3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6626 1.6542 2.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1765 0.8048 1.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1498 1.6267 0.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6401 1.0386 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3741 -0.2173 -0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7834 -1.4635 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4308 -1.7956 -0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9231 -1.1034 -1.2559 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7254 -2.8445 0.1411 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4755 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1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 47 51 2 0 51 52 1 0 51 53 1 0 53 54 1 0 6 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 57 4 2 0 53 45 2 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 31 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 33104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 50127 1 0 52128 1 0 52129 1 0 52130 1 0 54131 1 0 54132 1 0 54133 1 0 56134 1 0 56135 1 0 56136 1 0 58137 1 0 58138 1 0 58139 1 0 M CHG 1 30 1 M END