HMDB0005005 RDKit 3D Tolnaftate 39 41 0 0 0 0 0 0 0 0999 V2000 4.9073 2.7031 0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6227 1.2696 0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 0.3299 0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4121 -1.0196 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -1.4109 -0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 -0.4652 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8576 -0.8438 -0.8129 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5905 -1.3641 -2.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7466 -0.7123 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0528 -0.1227 1.5977 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5053 -1.0658 -0.3123 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7138 -0.4995 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8928 0.6118 0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1691 1.0841 0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2799 0.4842 0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5586 0.9404 0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6723 0.2983 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4984 -0.8137 -0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2201 -1.2638 -0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0959 -0.6295 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8431 -1.1340 -0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3841 0.8850 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5226 3.3258 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9764 2.8972 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4192 2.9058 1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5848 0.6359 0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1588 -1.7728 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9181 -2.4196 -0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7925 -0.7801 -2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3158 -2.4648 -2.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -1.3322 -2.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0241 1.1240 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2842 1.9770 1.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6855 1.8118 1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6413 0.6886 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3766 -1.3126 -1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1024 -2.1513 -1.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7085 -2.0075 -1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5924 1.6134 -0.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 6 22 2 0 22 2 1 0 21 12 1 0 20 15 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 8 29 1 0 8 30 1 0 8 31 1 0 13 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 18 36 1 0 19 37 1 0 21 38 1 0 22 39 1 0 M END