HMDB0061605 RDKit 3D PS(MonoMe(11,3)/MonoMe(9,5)) 132133 0 0 0 0 0 0 0 0999 V2000 5.8283 2.0710 1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5248 0.9645 2.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8502 1.4507 3.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7821 1.9415 4.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6882 1.0880 4.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7737 0.4725 3.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8373 -0.7867 3.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -0.9634 2.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4999 -2.1839 1.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1054 0.2522 2.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8962 0.5456 1.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3911 0.0913 2.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5167 -1.3874 2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8844 -1.7036 2.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -3.1391 3.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0506 -4.0940 2.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1013 -3.7140 1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2914 -4.5875 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2013 -4.8180 -0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 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55 1 0 55 56 2 0 55 57 1 0 10 58 1 0 58 6 1 0 44 37 2 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 7 70 1 0 9 71 1 0 9 72 1 0 9 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 22 90 1 0 23 91 1 0 23 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 42119 1 0 43120 1 0 45121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 50126 1 0 52127 1 0 52128 1 0 53129 1 0 54130 1 0 54131 1 0 57132 1 0 M END