HMDB0251255 RDKit 3D Difenoconazole 44 47 0 0 0 0 0 0 0 0999 V2000 -3.4274 2.2424 -1.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5555 1.2364 -0.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0716 1.7789 0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3118 0.7674 1.2334 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9259 -0.0649 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -1.5142 0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4342 -1.8103 0.9929 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3886 -2.2651 0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5128 -2.4107 0.8859 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2754 -2.0565 2.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9704 -1.6840 2.1914 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5114 0.2520 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 1.1809 0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5133 1.4583 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1734 0.8202 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4857 1.0534 -1.0236 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5631 0.3705 -0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8382 0.6967 -0.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9237 0.0076 -0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7561 -0.9957 0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1075 -1.8733 1.2318 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4612 -1.2851 0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3816 -0.6226 0.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 -0.1044 -1.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 -0.3805 -1.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6344 -1.5566 -2.2331 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7064 0.1857 -0.9092 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2849 2.0708 -2.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4982 3.2879 -1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4882 2.0713 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6139 0.9045 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9219 1.9745 1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4905 2.6993 0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 -1.6972 1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7635 -2.2047 -0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2759 -2.4757 -0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9961 -2.0727 2.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 1.6837 1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0994 2.1821 0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0274 1.4870 -1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9245 0.2670 -0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3372 -2.0852 1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 -0.9009 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9762 -0.6184 -2.2663 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 1 0 8 9 2 0 9 10 1 0 10 11 2 0 5 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 15 24 1 0 24 25 2 0 25 26 1 0 5 27 1 0 27 2 1 0 11 7 1 0 25 12 1 0 23 17 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 6 34 1 0 6 35 1 0 8 36 1 0 10 37 1 0 13 38 1 0 14 39 1 0 18 40 1 0 19 41 1 0 22 42 1 0 23 43 1 0 24 44 1 0 M END