HMDB0061405 RDKit 3D PC(DiMe(11,5)/MonoMe(11,5)) 154155 0 0 0 0 0 0 0 0999 V2000 0.7091 3.5446 -5.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 4.4279 -4.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 5.8610 -4.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 6.7078 -3.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1388 6.3017 -2.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 7.2249 -1.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 8.1983 -1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9573 8.8265 -0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3152 9.9288 0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1699 8.2255 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 8.5035 1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9269 8.1693 2.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6515 6.7617 2.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7054 5.7966 2.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4377 4.4375 3.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0385 3.9051 2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9594 2.4973 3.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6538 1.8460 3.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0368 1.8066 1.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 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47 49 1 0 49 50 1 0 24 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 10 63 1 0 63 6 1 0 49 39 2 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 7 75 1 0 9 76 1 0 9 77 1 0 9 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 24 99 1 0 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 46132 1 0 48133 1 0 48134 1 0 48135 1 0 50136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 55141 1 0 57142 1 0 57143 1 0 58144 1 0 58145 1 0 60146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 61151 1 0 62152 1 0 62153 1 0 62154 1 0 M CHG 1 59 1 M END