PUBCHEM-ZINC04687534 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 0 0 0 0 0 0999 V2000 0.4930 0.6830 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -1.1080 0.9180 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -1.5860 1.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -1.7550 0.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -1.2860 -0.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -0.7550 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -1.3600 -2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -0.8290 -2.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 -1.2380 -3.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 -2.2380 -4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 -2.6400 -5.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3450 -2.0490 -6.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -1.0540 -5.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 -0.6420 -4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8600 0.4270 -3.3200 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1400 1.2460 -2.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0680 0.4890 -3.1790 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0390 -2.4910 -7.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2910 -3.5000 -7.9660 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 -1.4030 -8.2230 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3120 -2.9790 -7.0380 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 1.1760 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 1.0550 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 0.8950 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -1.7430 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 0.3290 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 -1.0130 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -2.4440 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -1.1020 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 -0.1930 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -2.7000 -4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7190 -3.4170 -6.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 -0.5940 -5.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END