HMDB0256219 RDKit 3D Penconazole 33 34 0 0 0 0 0 0 0 0999 V2000 0.2449 2.1533 -2.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2873 0.6620 -2.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5466 -0.0349 -1.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1392 0.3122 -0.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2793 -0.1695 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9817 -0.0149 0.8536 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7679 1.0453 1.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2405 0.7851 2.4062 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7607 -0.4060 2.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9842 -0.8941 1.8654 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0878 -0.4040 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7925 -1.4816 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6266 -2.1248 0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -1.6962 2.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8307 -2.5806 3.2941 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0338 -0.6009 2.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1898 0.0603 1.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3671 1.4668 2.3550 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7983 2.5400 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5586 2.5894 -1.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9262 2.5305 -3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2039 0.3853 -3.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3116 0.3184 -3.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2692 -1.1337 -1.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 0.0825 -2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2269 1.3839 -0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 0.4327 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3451 -1.2118 -0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9672 1.9224 0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 -0.8215 3.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7298 -1.8408 -0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2101 -2.9949 0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1303 -0.2599 3.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 4 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 10 6 1 0 17 11 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 7 29 1 0 9 30 1 0 12 31 1 0 13 32 1 0 16 33 1 0 M END