HMDB0033145 RDKit 3D Azimsulfuron 45 47 0 0 0 0 0 0 0 0999 V2000 5.6092 0.9128 -3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9877 0.5839 -2.2907 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9698 0.4431 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2514 0.1240 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2445 -0.0148 0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4747 -0.3292 2.2295 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3915 -0.4533 3.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9979 0.1683 0.4783 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 0.4741 -0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3193 0.6670 -1.2232 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1918 0.5680 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9389 0.7585 -1.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1058 0.2888 0.9618 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 0.1926 1.8542 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.9620 1.5755 1.8923 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 -0.1341 3.2908 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4494 -1.0133 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5053 -0.8401 0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0468 0.3724 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 1.6365 -0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4618 2.4120 -0.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3156 1.6388 -1.4165 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3479 2.0384 -2.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0693 0.3894 -1.0737 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0576 -2.1091 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 -2.9856 0.8527 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 -2.3387 1.4949 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3723 -2.9279 2.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6838 0.6017 -1.6574 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8684 1.9878 -3.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5715 0.6801 -3.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2774 0.3523 -4.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2853 -0.0137 0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9006 0.5357 3.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -0.8724 4.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6021 -1.1425 2.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2256 0.8936 -2.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9878 0.1263 1.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2242 1.3638 -2.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9718 1.9998 -3.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5985 3.0966 -2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8888 -2.3765 -0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -2.9017 1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6087 -3.9930 2.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3642 -2.4362 3.3728 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 4 5 1 0 5 6 1 0 6 7 1 0 5 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 2 0 14 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 1 0 18 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 9 29 2 0 29 3 1 0 27 17 1 0 24 19 2 0 1 30 1 0 1 31 1 0 1 32 1 0 4 33 1 0 7 34 1 0 7 35 1 0 7 36 1 0 10 37 1 0 13 38 1 0 23 39 1 0 23 40 1 0 23 41 1 0 25 42 1 0 28 43 1 0 28 44 1 0 28 45 1 0 M END