HMDB0061426 RDKit 3D PC(DiMe(9,5)/DiMe(11,3)) 145146 0 0 0 0 0 0 0 0999 V2000 3.1026 -2.0142 6.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 -1.5036 5.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7735 -0.5077 4.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2965 0.7229 4.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2613 1.5135 5.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1627 2.0021 4.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0178 1.4696 4.7621 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7932 2.1030 3.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2243 1.8040 3.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3951 1.1214 2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8704 0.8272 2.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4398 -0.0590 3.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6862 -1.4121 3.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2934 -2.1684 4.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 -3.5343 4.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 -3.8968 4.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4707 -3.7884 3.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 -2.7743 3.6532 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2312 -4.8494 2.9465 O 0 0 0 0 0 0 0 0 0 0 0 0 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4.0926 2.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 4.9723 4.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 3.6248 3.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 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 53 55 1 0 55 56 1 0 8 57 2 0 57 58 1 0 57 59 1 0 59 60 1 0 59 6 2 0 55 47 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 26 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 31 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 33106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 52133 1 0 54134 1 0 54135 1 0 54136 1 0 56137 1 0 56138 1 0 56139 1 0 58140 1 0 58141 1 0 58142 1 0 60143 1 0 60144 1 0 60145 1 0 M CHG 1 30 1 M END