IBS-ZINC02345411 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 0.2320 0.1690 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -0.4620 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 0.1090 1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 1.3140 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 1.9670 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 1.3730 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 3.2640 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 3.0690 -1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 2.2390 -2.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 3.9240 -1.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 3.8320 -2.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4380 4.7240 -2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5580 5.5960 -1.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3620 4.5080 -3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 5.0080 -3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 5.7130 -2.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4180 4.7510 -5.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5350 5.4250 -5.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9240 6.7140 -5.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0590 7.3180 -5.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8180 6.6470 -6.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4340 5.3760 -7.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 4.7540 -6.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8590 3.3910 -7.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7430 2.9600 -6.6040 O 0 5 0 0 0 0 0 0 0 0 0 0 4.1820 1.9620 1.3580 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -0.2760 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -1.3990 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -0.3930 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 1.8420 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 3.7510 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 3.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 4.6220 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 3.0930 -3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9870 3.9100 -4.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1050 5.5760 -3.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2130 3.8860 -5.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3330 7.2810 -4.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3440 8.3180 -5.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6990 7.1170 -7.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0210 4.8630 -7.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6140 2.7940 -7.8920 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 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 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 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 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 42 2 0 0 0 0 M CHG 1 25 -1 M END