HMDB0258595 RDKit 3D Sulfometuron-methyl 41 42 0 0 0 0 0 0 0 0999 V2000 -6.4062 2.3816 1.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8218 1.4547 0.6765 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4278 1.2284 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8001 1.8919 1.5264 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 0.2808 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6233 -0.4133 -1.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 -1.3291 -2.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7353 -1.6047 -2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9698 -0.9249 -1.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 0.0034 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 0.8410 0.8317 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.4261 2.3279 0.6354 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7288 0.5468 2.2845 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1941 0.2225 0.5928 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4827 -1.1014 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4744 -1.8213 1.4407 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7111 -1.7658 0.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8915 -1.1720 0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0512 -1.9014 0.2912 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1929 -1.3665 -0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4658 -2.1478 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2431 -0.0315 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0967 0.7088 -0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0802 2.1365 -0.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9762 0.1063 0.0147 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9220 2.2829 2.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3391 3.4235 1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4883 2.1251 1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7037 -0.1822 -1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7273 -1.8624 -2.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3421 -2.3364 -2.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8855 -1.1263 -1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8695 0.8788 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7871 -2.7967 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3736 -3.0789 0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2950 -1.5128 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7106 -2.3587 -1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1577 0.4274 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0332 2.6692 -0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 2.2386 -1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3128 2.6581 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 2 0 11 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 10 5 1 0 25 18 1 0 1 26 1 0 1 27 1 0 1 28 1 0 6 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 14 33 1 0 17 34 1 0 21 35 1 0 21 36 1 0 21 37 1 0 22 38 1 0 24 39 1 0 24 40 1 0 24 41 1 0 M END