PUBCHEM-ZINC02017987 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 0 0 0 0 0 0999 V2000 0.1770 1.2170 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 1.7400 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 2.1020 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 2.5940 -2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 2.6650 -3.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 2.2930 -3.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 1.8550 -2.4450 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7440 3.1450 -4.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 4.9430 -4.9260 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 5.1450 -6.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 4.2090 -7.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 6.5500 -6.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 2.9730 -2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 2.0050 0.0760 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2430 0.2890 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 0.9970 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 1.9580 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 2.3300 -4.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 2.6480 -5.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 2.8580 -4.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 7.2200 -6.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 6.8860 -7.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 6.5790 -7.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4570 3.8430 -2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 2.1170 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 1.5900 -2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 3.3270 -0.7050 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5510 3.1140 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 4.2790 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 2.7170 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 M CHG 1 7 1 M CHG 1 14 -1 M CHG 1 27 1 M END