IBS-ZINC01836587 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 0 0 0 0 0 0999 V2000 0.2200 1.5440 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 0.1250 -0.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -0.4310 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 0.3080 1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -0.3300 3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.7240 3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -2.4770 1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -1.8360 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -2.5860 -0.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -2.4950 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -4.2360 1.9750 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -4.7380 0.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -4.4910 3.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -4.8220 2.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -4.7020 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 -5.7160 1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 -5.6630 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 -6.6590 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5160 -7.3670 1.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 0.4270 4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 1.4960 4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 2.2620 5.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 1.9670 6.5570 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2020 1.9920 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 1.8080 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.9470 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 1.3900 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -2.2180 3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -3.3990 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -1.6370 -2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -2.4390 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -4.7870 3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -3.6880 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -4.8980 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -6.7260 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -5.5270 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -4.6560 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 -5.8560 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 0.0650 5.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 1.8490 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5530 -6.6450 0.0730 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6390 3.1200 5.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 42 2 0 0 0 0 M CHG 1 23 -1 M CHG 1 41 -1 M END