HMDB0251998 RDKit 3D Ethametsulfuron-methyl 46 47 0 0 0 0 0 0 0 0999 V2000 -5.2884 1.6769 -0.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3679 1.3704 0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0286 1.3427 0.9652 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1644 0.4076 0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5721 -0.4468 -0.5768 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 -1.3445 -1.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0816 -2.1751 -2.0476 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4377 -2.1768 -2.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4619 -1.3764 -0.6702 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0244 -0.5376 0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 -0.5830 0.7617 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6447 -1.1087 1.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3503 -1.6503 2.6755 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -1.1606 2.3625 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8498 0.3193 2.5523 S 0 0 0 0 0 6 0 0 0 0 0 0 2.0330 1.2195 3.5026 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1944 0.1018 3.1658 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9799 1.1114 1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3649 2.3746 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4383 3.0029 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0992 2.4406 -1.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 1.2219 -1.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 0.5514 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3102 -0.7172 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 -1.3521 1.1135 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 -1.2865 -1.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 -2.5320 -1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8903 0.3541 0.8259 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8027 0.8492 -1.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7840 2.6571 -1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2571 1.7376 -1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8725 0.4018 0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9567 2.1542 0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0945 -1.7920 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 -3.1457 -2.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4511 -1.4664 -3.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4521 -1.2427 3.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3804 -2.1064 2.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8554 2.7898 1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9691 3.9579 -0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1419 2.9685 -2.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2284 0.7434 -2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3212 -2.6396 -1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8809 -3.3856 -1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1473 -2.5164 -0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 0.9880 1.5755 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 2 0 5 6 1 0 6 7 2 3 7 8 1 0 6 9 1 0 9 10 2 0 10 11 1 0 11 12 2 3 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 10 28 1 0 28 4 1 0 23 18 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 8 34 1 0 8 35 1 0 8 36 1 0 13 37 1 0 14 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 27 43 1 0 27 44 1 0 27 45 1 0 28 46 1 0 M END