IBS-ZINC00098580 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0660 1.4700 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 0.2930 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -0.3850 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 0.1060 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 1.2980 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 1.9740 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.5860 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 -0.0430 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 -1.0420 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 -2.3050 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 -2.2950 0.0700 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2220 -3.4450 -0.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 -4.7420 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 -5.1460 0.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 -5.7510 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 -7.0690 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -8.0510 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8990 -7.7210 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2050 -6.4140 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2140 -5.4290 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3620 -0.7920 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1220 -1.8230 -0.5480 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0130 1.9960 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -0.1000 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -1.2970 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 1.7050 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 2.8930 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1160 1.0140 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2150 -3.2020 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5960 -7.3370 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 -9.0700 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6740 -8.4820 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2160 -6.1610 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4830 -4.4260 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7330 0.4060 -0.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 2 0 0 0 0 M CHG 1 22 -1 M END