IBS-ZINC02370571 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.0090 1.3790 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 0.0000 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.6810 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0360 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.4320 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 2.0960 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.4960 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 4.1420 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 3.5140 1.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 5.6140 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 6.3400 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 7.7130 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 8.3750 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 7.6640 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 6.2870 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 5.3960 1.6980 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 8.4830 -0.9160 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9820 7.9030 -1.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 9.6960 -0.9900 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3900 -0.8840 0.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.0800 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -1.9910 -0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -3.3450 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -4.5820 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 -5.7380 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 -5.6870 0.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 -4.5430 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 -3.3390 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 1.9060 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -0.5500 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 1.9910 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 4.0010 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 5.8250 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 9.4510 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 8.1870 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -4.6310 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 -6.6970 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 -4.5490 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 -2.4060 0.5460 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 38 1 0 0 0 0 28 39 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END