HMDB0014777 RDKit 3D Butoconazole 42 44 0 0 0 0 0 0 0 0999 V2000 6.0955 -3.9793 -0.0386 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8931 -2.7124 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7553 -1.7484 -0.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7856 -0.7487 -0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9283 -0.7063 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8749 0.3650 0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5898 -0.0761 -0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4302 1.0196 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0327 2.2923 -0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9662 3.3363 -0.6459 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0748 4.2255 0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 5.0364 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7042 4.6470 -1.0201 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9776 3.5961 -1.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9431 0.4969 -1.0033 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -0.9068 -0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6051 -0.7675 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0393 0.8435 1.3466 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2089 -1.8372 1.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8738 -3.1032 0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9639 -3.2586 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3655 -2.1707 -0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2195 -2.4916 -1.9574 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0862 -1.6815 1.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0322 -2.6784 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 -1.7668 -1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6846 0.0041 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 1.2238 -0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7037 0.5256 1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2358 -1.0182 0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7087 -0.2678 -1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 1.2159 0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2465 2.1718 -1.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9583 2.7138 -0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3858 4.2632 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4533 5.8365 0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 3.1061 -2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9217 -1.7029 2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3577 -3.9361 1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7108 -4.2589 -0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4252 -1.6625 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1489 -3.4396 1.8929 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 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 8 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 5 24 1 0 24 25 2 0 25 2 1 0 14 10 1 0 22 16 1 0 3 26 1 0 4 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 11 35 1 0 12 36 1 0 14 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 24 41 1 0 25 42 1 0 M END