HMDB0061422 RDKit 3D PC(DiMe(9,3)/MonoMe(11,3)) 136137 0 0 0 0 0 0 0 0999 V2000 2.5465 -1.2341 -9.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7327 -1.4703 -10.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3846 -0.7997 -10.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2774 -1.4310 -9.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 -2.5223 -9.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4843 -2.7557 -8.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3936 -3.8525 -7.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8616 -1.7973 -7.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0207 -1.7125 -5.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3343 -1.1097 -5.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 -0.7879 -4.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3918 -1.5251 -3.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5551 -2.4461 -2.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1261 -3.7316 -3.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2352 -4.5009 -2.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -3.7832 -1.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8833 -4.6144 -0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1767 -3.9071 -0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0324 -2.5992 0.1953 C 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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 37 41 2 0 41 42 1 0 41 43 1 0 43 44 1 0 22 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 0 8 57 1 0 57 4 1 0 43 35 2 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 5 65 1 0 7 66 1 0 7 67 1 0 7 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 22 89 1 0 23 90 1 0 23 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 40114 1 0 42115 1 0 42116 1 0 42117 1 0 44118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 49123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 54128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 M CHG 1 53 1 M END