HMDB0061431 RDKit 3D PC(DiMe(9,5)/MonoMe(11,3)) 142143 0 0 0 0 0 0 0 0999 V2000 5.0861 7.2536 3.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1483 7.6117 2.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6017 7.9413 1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 9.1416 1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1289 9.4677 -0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3428 8.3503 -0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7279 7.5080 -1.6486 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7446 6.6258 -1.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9353 5.5640 -2.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3358 4.2280 -2.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3793 3.4464 -1.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1415 3.0676 -2.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 2.2358 -3.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7747 0.8635 -3.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1048 0.4975 -3.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2427 -1.0425 -3.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1575 -1.6770 -2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6927 -2.7841 -2.8187 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6737 -1.0373 -1.3219 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6148 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1 0 6 7 1 0 7 8 1 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 2 0 17 19 1 0 19 20 1 0 20 21 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 50 51 1 0 51 52 1 0 49 53 2 0 53 54 1 0 54 55 1 0 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 0 54 47 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 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 20 87 1 0 20 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 31 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 33105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 53133 1 0 55134 1 0 55135 1 0 55136 1 0 57137 1 0 57138 1 0 57139 1 0 59140 1 0 59141 1 0 59142 1 0 M CHG 1 30 1 M END