HMDB0256825 RDKit 3D Propiconazole 39 41 0 0 0 0 0 0 0 0999 V2000 3.9695 -0.9813 -0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5076 -1.0768 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2901 -0.3525 1.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 -0.6858 0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0279 -0.4303 -0.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3596 -0.4845 -1.2192 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 0.1532 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2335 -0.5246 0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0312 -1.8931 0.6943 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0934 -2.9370 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8677 -4.0842 0.5128 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6589 -3.7556 1.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7646 -2.4235 1.8723 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2709 1.5671 -0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7604 2.5606 0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0259 3.8957 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8336 4.2680 -0.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2205 5.9604 -1.2269 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3638 3.2903 -1.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0853 1.9397 -1.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 0.8062 -2.5879 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0339 0.1707 0.9104 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7533 -1.8909 -1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6189 -0.0363 -1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1053 -0.8656 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.6732 1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4713 -2.1682 1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1733 -0.5353 2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 0.7517 1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6947 -1.7533 0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 -1.1633 -1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3832 0.6046 -1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9634 -0.5028 -0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6471 0.0988 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2947 -2.9182 -1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4488 -4.4797 2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1184 2.3040 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5902 4.6377 0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 3.6073 -2.5226 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 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 7 14 1 0 14 15 2 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 7 22 1 0 22 4 1 0 13 9 1 0 20 14 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 8 33 1 0 8 34 1 0 10 35 1 0 12 36 1 0 15 37 1 0 16 38 1 0 19 39 1 0 M END