IBS-ZINC02291955 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0120 1.3730 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.0070 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -0.6830 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0210 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 1.4020 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 2.0840 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 3.4800 -0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 4.1770 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 5.5390 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 6.2630 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 6.8370 -0.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 6.2670 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 5.7280 0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 6.5390 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 7.8380 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 8.0020 -0.3100 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 6.0510 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 6.9270 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 6.4720 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1520 5.1430 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 4.2630 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 4.7140 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 3.0280 1.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9660 3.0660 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3100 4.4590 0.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -2.4440 -0.2190 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 -2.8430 0.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -2.8720 0.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.8980 -1.8100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 1.9000 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -0.5600 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 -0.5090 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 1.9510 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 3.9550 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 3.6500 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 8.6410 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 7.9620 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 7.1520 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 4.0320 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 2.7230 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5470 2.4640 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -2.2240 -2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -3.8390 -2.0460 H 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 3 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 M END