HMDB0061624 RDKit 3D PS(MonoMe(9,5)/DiMe(11,3)) 135136 0 0 0 0 0 0 0 0999 V2000 -9.3122 3.5471 6.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6014 2.6843 5.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0089 3.0613 4.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3169 2.2139 3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7927 2.6720 1.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1886 1.9133 0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4554 2.1738 -0.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7226 1.2796 -1.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7391 1.2390 -2.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0298 0.4990 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1103 -0.5964 -0.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7448 -0.0749 -1.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0992 0.7398 -0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7647 1.3029 -0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4517 2.2400 -1.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5648 1.9307 -2.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7363 0.7477 -3.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 0.9499 -3.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4862 -0.2366 -3.6160 C 0 0 0 0 0 0 0 0 0 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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 52 53 1 0 53 54 1 0 51 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 10 59 1 0 59 6 1 0 57 49 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 22 91 1 0 22 92 1 0 23 93 1 0 24 94 1 0 24 95 1 0 28 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 32100 1 0 32101 1 0 35102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 54129 1 0 56130 1 0 56131 1 0 56132 1 0 58133 1 0 58134 1 0 58135 1 0 M END