HMDB0061522 RDKit 3D PE(MonoMe(11,3)/MonoMe(11,5)) 135136 0 0 0 0 0 0 0 0999 V2000 -0.5236 -3.1985 4.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0089 -1.8617 4.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3755 -2.0335 3.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7794 -0.6444 3.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1143 -0.7907 2.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6551 0.4852 2.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 0.5440 1.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1246 1.8328 1.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3378 2.3878 0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9826 2.5468 1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8502 3.9913 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6109 4.2959 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5305 5.7815 -0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 6.3234 -1.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0896 5.9300 -2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1251 6.6473 -3.8836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9553 6.4877 -4.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6048 5.1283 -5.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 4.4191 -5.9881 C 0 0 0 0 0 0 0 0 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1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 41 45 2 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 10 57 1 0 57 6 1 0 46 39 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 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 24 93 1 1 25 94 1 0 25 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 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 44122 1 0 45123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 52129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 M END