CHEMSTAR-ZINC04087966 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0140 1.4950 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.0120 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -0.7120 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -2.0930 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.7830 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.0830 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.6950 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.0140 -2.4120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -0.5680 -3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -1.6710 -3.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 0.1300 -4.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -0.3590 -5.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 0.4740 -7.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 0.2420 -8.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 1.1750 -9.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 2.3720 -9.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 2.6260 -7.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 1.6820 -6.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 1.7240 -5.0460 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -1.9170 -6.0790 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -4.1790 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -4.6790 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -6.2090 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -6.7220 -1.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -6.2560 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -4.7270 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.8390 2.4630 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1090 -2.2350 3.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -4.0570 2.4570 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0060 1.8780 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 1.8560 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.8410 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -0.1780 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -2.6160 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 0.9250 -2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -0.6830 -8.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 0.9840 -10.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 3.1040 -9.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 3.5570 -7.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -4.3620 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -4.2820 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -6.5860 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -6.5260 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -6.6680 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -6.5750 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -4.3650 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -4.4100 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END