HMDB0250129 RDKit 3D Chloroxuron 35 36 0 0 0 0 0 0 0 0999 V2000 5.3883 -0.6376 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6742 0.6095 0.1995 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4126 1.8380 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2644 0.6239 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7158 1.7551 0.1329 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5758 -0.6125 0.0934 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1878 -0.8121 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 0.1745 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 -0.0767 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 -1.3804 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9442 -1.6225 -0.1543 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8897 -0.6090 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 -0.0940 0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 0.9090 0.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8119 1.4517 -0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0131 2.7392 -0.2641 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.2748 0.9460 -1.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3344 -0.0618 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6514 -2.3909 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 -2.1229 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4659 -0.5103 0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1943 -1.1546 -0.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0211 -1.3420 0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1613 2.4017 -0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0455 2.4715 1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 1.7014 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1783 -1.4983 0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5575 1.2061 0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8326 0.7813 -0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1157 -0.4929 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8131 1.3278 1.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5989 1.3496 -2.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8926 -0.4814 -2.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9614 -3.4357 -0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 -2.9509 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 10 19 1 0 19 20 2 0 20 7 1 0 18 12 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 6 27 1 0 8 28 1 0 9 29 1 0 13 30 1 0 14 31 1 0 17 32 1 0 18 33 1 0 19 34 1 0 20 35 1 0 M END