HMDB0015142 RDKit 3D Tioconazole 36 38 0 0 0 0 0 0 0 0999 V2000 5.1291 3.8527 -0.2825 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 2.6678 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6033 1.7664 -1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6107 0.8068 -0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8419 0.7139 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7777 -0.3097 0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9799 -1.2939 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 -2.3631 -0.8483 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1242 -3.5396 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9857 -4.3233 -0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -3.5819 -1.2242 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1841 -2.4033 -1.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4527 0.3136 0.1358 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4233 0.0425 1.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7062 0.7956 0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8276 1.6041 -0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0394 2.2197 -0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9667 1.6458 0.7687 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 0.6495 1.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9512 -0.3447 2.9767 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1095 1.6160 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2611 1.6174 2.7478 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1114 2.5888 1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1943 1.8069 -1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5053 0.1443 -1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8233 -0.8734 1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0232 -1.6139 -0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7858 -0.6492 -1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9541 -3.8913 0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1863 -5.3235 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6089 -1.5999 -2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6765 -1.0600 0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1297 0.3098 2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9975 1.7951 -1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2981 2.9133 -1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3145 3.3006 1.8918 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 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 6 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 5 21 1 0 21 22 1 0 21 23 2 0 23 2 1 0 12 8 1 0 19 15 2 0 3 24 1 0 4 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 9 29 1 0 10 30 1 0 12 31 1 0 14 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 23 36 1 0 M END