PUBCHEM-ZINC02728016 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 0 0 0 0 0 0999 V2000 1.0540 1.7450 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 0.2180 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -0.3360 1.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -1.7640 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 -2.2440 2.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -3.7740 2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -4.2340 4.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -5.7850 4.5380 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -5.9440 5.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -5.9980 4.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 -6.8610 3.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -7.7390 2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 -8.5830 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 -8.5490 1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 -7.6710 2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 -6.8240 3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 -5.8790 4.0530 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3580 -5.9350 4.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 -5.0470 4.7480 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0850 2.0590 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 2.1680 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 2.0970 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -0.0960 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -0.1330 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -2.1190 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -2.1570 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -1.8900 2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -1.8520 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -4.1290 2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -4.1660 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -3.6290 4.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -7.7660 2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -9.2690 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 -9.2090 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0350 -7.6450 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END