HMDB0034859 RDKit 3D Halosulfuron-methyl 43 44 0 0 0 0 0 0 0 0999 V2000 3.9581 2.6703 1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6086 1.5421 0.3544 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1300 0.2884 0.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9712 0.1155 1.4611 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7621 -0.8817 -0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3629 -1.3168 -1.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7223 -0.5290 -2.1802 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -2.4107 -1.8030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 -2.6720 -0.9457 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -3.7813 -1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7312 -1.7487 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6594 -1.6196 1.4091 S 0 0 0 0 0 6 0 0 0 0 0 0 2.3849 -1.0385 2.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -3.0083 1.7652 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2598 -0.6612 0.9929 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1635 0.6561 1.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1158 1.1511 2.1485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9141 1.5014 1.1564 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0754 1.1790 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0376 2.1383 0.2265 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1634 1.9340 -0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1034 2.9424 -0.6055 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8598 4.1915 -0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3685 0.6887 -1.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 -0.3254 -0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6637 -1.5550 -1.4299 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7804 -2.6494 -1.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3304 0.0065 -0.1513 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6212 3.2951 0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6089 2.3734 2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 3.2001 1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0041 -4.4411 -0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7447 -3.4168 -1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -4.3443 -1.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4594 -1.1184 0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8812 2.4939 1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9372 4.5979 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6643 4.9179 -0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 4.1498 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 0.5089 -1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0934 -2.5778 -0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3782 -3.5910 -1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2659 -2.8554 -2.3090 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 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 2 0 12 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 2 0 11 5 2 0 28 19 1 0 1 29 1 0 1 30 1 0 1 31 1 0 10 32 1 0 10 33 1 0 10 34 1 0 15 35 1 0 18 36 1 0 23 37 1 0 23 38 1 0 23 39 1 0 24 40 1 0 27 41 1 0 27 42 1 0 27 43 1 0 M END