HMDB0061423 RDKit 3D PC(DiMe(9,3)/MonoMe(11,5)) 142143 0 0 0 0 0 0 0 0999 V2000 -0.5219 5.9786 3.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6079 4.9327 3.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2624 3.6996 4.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3962 2.7065 4.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1247 1.4421 4.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2402 0.4948 4.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 0.7489 3.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1856 -0.3344 4.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5223 -0.4296 3.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5647 -1.2324 4.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0829 -2.5353 5.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9364 -3.6859 4.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5272 -3.5149 2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4187 -4.8047 2.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0428 -4.5688 0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3444 -3.5713 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9565 -4.0535 -0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3381 -2.9883 -1.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9974 -3.3967 -1.9270 C 0 0 0 0 0 0 0 0 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1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 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 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 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 40 41 1 0 41 42 1 0 39 43 2 0 43 44 1 0 43 45 1 0 45 46 1 0 24 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 10 59 1 0 59 6 1 0 45 37 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 7 71 1 0 9 72 1 0 9 73 1 0 9 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 24 95 1 0 25 96 1 0 25 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 42120 1 0 44121 1 0 44122 1 0 44123 1 0 46124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 51129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 56134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 58142 1 0 M CHG 1 55 1 M END