HMDB0061395 RDKit 3D PC(DiMe(11,3)/MonoMe(11,3)) 142143 0 0 0 0 0 0 0 0999 V2000 7.6045 -0.8473 5.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6154 -0.7811 6.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 -0.2418 6.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 -1.1539 5.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -2.2377 5.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6406 -2.8566 4.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7926 -4.0772 4.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2885 -2.0949 3.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3682 -2.2151 2.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7214 -3.4290 1.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8706 -3.4404 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3286 -2.3379 -0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9472 -2.0532 -1.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8381 -1.9418 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3169 -3.2147 0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 -2.9966 1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9557 -2.2699 0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0628 -2.0604 1.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1648 -1.3339 1.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 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3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 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 8 59 1 0 59 4 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 5 67 1 0 7 68 1 0 7 69 1 0 7 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 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