IBS-ZINC04137409 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.8170 1.0280 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.7340 3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 3.3590 1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 3.5740 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 4.9770 0.5620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 5.8680 -0.5120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2030 5.8730 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 7.2230 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 7.0180 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 5.5860 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 5.1020 2.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 7.8240 1.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 8.3930 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 8.4540 -1.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 9.6770 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 10.6370 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 11.8580 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 12.1260 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 11.1760 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 9.9600 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9780 11.3080 -0.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6700 12.4400 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 5.4110 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 5.4040 -2.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 5.0030 -4.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 4.6020 -4.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 4.6130 -3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 5.0180 -2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7910 4.1220 -3.5730 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 0.0050 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.4160 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 1.0500 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 2.1050 2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 0.6730 3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 2.3060 3.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 3.7270 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 3.8830 2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 3.2030 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 3.0180 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 9.3620 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 10.4410 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 12.6040 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 13.0860 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 9.2230 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6460 12.4630 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2710 13.3670 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7170 12.3570 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 5.7260 -2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 5.0130 -5.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 4.2940 -5.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 5.0220 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 1.8930 1.9730 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4890 1.5350 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 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 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END