HMDB0061425 RDKit 3D PC(DiMe(9,3)/MonoMe(9,5)) 136137 0 0 0 0 0 0 0 0999 V2000 -6.2472 2.4127 2.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4651 1.0193 2.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1030 -0.0621 3.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9167 0.0182 4.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5128 -1.0920 5.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0826 -1.0054 5.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5229 -0.3098 6.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1419 -0.5160 6.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 0.0691 7.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9365 -1.3335 5.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 -1.8206 5.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8198 -0.7578 4.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5577 -0.2346 3.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6868 0.8019 2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3081 1.4302 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3734 2.4559 0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0314 3.0783 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3884 2.1070 -1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2596 1.3487 -1.9958 C 0 0 0 0 0 0 0 0 0 0 0 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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 10 57 1 0 57 6 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 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 7 69 1 0 9 70 1 0 9 71 1 0 9 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