IBS-ZINC02264994 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 1.2840 0.4920 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -0.7620 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -1.7590 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -2.4280 1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -3.6010 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -3.8370 2.7270 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -2.9060 3.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 -2.0210 2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -0.5760 2.8310 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -0.7350 4.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1150 0.4260 5.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 1.2770 4.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 0.5180 6.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 1.6500 7.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 2.8930 6.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4090 4.0090 6.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 3.8900 8.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4350 2.6540 8.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8050 1.5340 8.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4720 2.5100 10.0310 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -4.4360 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -3.9070 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -4.7300 -1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -6.0380 -1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -6.5100 -0.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -5.7680 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 0.8090 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 1.2060 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -1.0790 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -2.5000 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 -1.2430 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -0.7390 5.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 -1.6680 4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0700 -0.2000 7.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 2.9860 5.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 4.9750 6.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 4.7640 8.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 0.5700 8.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -2.8820 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -4.3560 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -6.6830 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -6.1910 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 8 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 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 38 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 26 42 1 0 0 0 0 M END