PUBCHEM-ZINC06072223 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 0.1340 1.4550 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -0.0080 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -0.7940 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -0.2700 2.7030 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.0730 0.6620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -2.0220 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -0.7490 -1.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -3.4050 -1.7700 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -2.5490 -3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -3.1330 1.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -3.9870 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -5.1920 2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -6.1850 1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -7.1920 2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -6.8000 3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -5.6000 2.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -7.5760 4.2990 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0460 -8.7490 4.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -7.0940 4.7140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1720 1.7700 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 1.8460 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 1.8380 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -3.2810 -4.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -1.8830 -3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -1.9670 -3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -3.7580 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 -6.1740 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -8.1140 3.0730 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 7 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 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