HMDB0015679 RDKit 3D Niclosamide 29 30 0 0 0 0 0 0 0 0999 V2000 -0.6230 1.1194 1.4168 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9089 0.3889 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0885 -0.2502 -0.3195 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4962 -0.1548 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 0.5798 0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4711 0.5900 0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2928 -0.1061 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6886 -0.0652 0.2523 N 0 0 0 0 0 4 0 0 0 0 0 0 6.2112 0.6162 1.1685 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 -0.7435 -0.5795 O 0 0 0 0 0 1 0 0 0 0 0 0 3.6841 -0.8346 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3212 -0.8536 -0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6435 -1.8353 -2.2873 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3304 0.2048 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7398 -0.5973 -0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0671 -0.8008 -1.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4479 -1.8299 -2.6396 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -0.1866 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6701 0.6026 0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3306 0.8254 0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0839 1.6330 1.9378 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1883 -0.8671 -1.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5069 1.1452 1.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9007 1.1933 1.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -1.3924 -1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9594 -1.0847 -1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1084 -0.3109 -0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4518 1.0968 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2795 1.9173 2.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 1 0 11 12 2 0 12 13 1 0 2 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 12 4 1 0 20 14 1 0 3 22 1 0 5 23 1 0 6 24 1 0 11 25 1 0 15 26 1 0 18 27 1 0 19 28 1 0 21 29 1 0 M CHG 2 8 1 10 -1 M END