PUBCHEM-ZINC00000542 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 1 0 0 0 0 0999 V2000 0.0930 1.4810 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -0.0150 -0.1030 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2240 -0.2010 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -0.7920 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -2.5690 0.8080 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -3.2910 1.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -2.8130 0.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 -2.7970 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -1.8300 -1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -0.4550 -1.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 0.3760 -2.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -0.0530 -3.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 0.8530 -3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 0.5460 -5.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 1.7460 -5.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 2.7420 -4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 2.1990 -3.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 4.1920 -4.8270 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3850 4.6230 -5.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 5.0500 -3.9780 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1640 1.6670 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 2.0340 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 1.8090 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -0.5850 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -0.4890 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -2.5900 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -3.8230 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -1.9380 -2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -2.0560 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -1.1090 -3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -0.4300 -5.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 1.8990 -6.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END