HMDB0015259 RDKit 3D Econazole 39 41 0 0 0 0 0 0 0 0999 V2000 6.4867 0.2810 1.3598 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9595 0.0069 0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9581 -0.8049 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7557 -1.0100 0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5526 -0.4199 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2858 -0.5797 -1.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2682 -0.5240 -0.6492 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0339 -0.3625 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8613 -1.4759 -0.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 -1.7914 0.4484 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -1.2145 1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5141 -1.8245 2.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5251 -2.7424 2.4246 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8106 -2.6719 1.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3854 0.9493 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4109 0.9938 0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 2.1546 1.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7297 3.3290 0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9479 4.8290 1.6630 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6968 3.2990 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5297 2.1380 -1.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5319 2.0835 -3.0939 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5395 0.3846 -1.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7044 0.5812 -0.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 -1.2882 2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -1.6742 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2372 -1.6736 -1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2396 0.1222 -2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9535 -0.2657 -2.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 -2.4259 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7841 -1.6054 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -0.4429 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3117 -1.5438 2.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9368 -3.3538 1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2086 0.1128 1.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 2.0930 2.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 4.2271 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 0.8847 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5149 1.2256 -1.0890 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 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 5 23 1 0 23 24 2 0 24 2 1 0 14 10 1 0 21 15 1 0 3 25 1 0 4 26 1 0 6 27 1 0 6 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 11 32 1 0 12 33 1 0 14 34 1 0 16 35 1 0 17 36 1 0 20 37 1 0 23 38 1 0 24 39 1 0 M END