HMDB0061546 RDKit 3D PE(MonoMe(9,5)/DiMe(9,3)) 126127 0 0 0 0 0 0 0 0999 V2000 -13.4356 -1.4709 2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3634 -0.5138 2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8012 0.3780 0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1941 -0.3763 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0493 -1.2154 -0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9132 -0.2847 -1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7329 0.3201 -2.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5897 1.1006 -2.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0147 1.9264 -3.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1299 0.9185 -0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9105 1.5587 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6952 0.8597 -0.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3919 1.4145 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1898 2.8614 -0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8573 3.3347 -0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6992 2.5873 -0.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 3.1605 -0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2449 2.4207 -0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 0.9925 -0.4811 C 0 0 0 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0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 0 22 87 1 0 23 88 1 6 24 89 1 0 24 90 1 0 28 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 49120 1 0 51121 1 0 51122 1 0 51123 1 0 53124 1 0 53125 1 0 53126 1 0 M END