IFLAB-ZINC04304444 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 0.1270 1.1810 -2.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -0.1560 -1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -0.5240 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 0.4270 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 1.7690 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 2.1460 -1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 0.0610 0.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 0.7740 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 -0.2190 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 -2.0340 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 -1.0270 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9440 -2.2700 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 -3.0760 2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 -4.4130 2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4470 -5.1170 3.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4230 -6.3400 3.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7260 -4.2820 4.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -2.9530 4.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3970 -2.3100 3.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0070 -4.9520 5.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2860 -4.1710 7.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5920 -5.0580 8.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6460 -6.2820 8.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -4.3340 9.4940 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1100 -4.9900 10.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8710 -4.0420 11.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0700 -4.0830 12.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2770 -2.8600 13.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1890 -2.1530 12.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5550 -2.8610 11.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 1.4700 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -0.9180 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -1.5830 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 2.5590 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 3.1960 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 1.4860 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 1.3440 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 -0.7140 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7830 0.2950 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 -2.7740 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 -2.5380 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -0.5920 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -1.5560 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8320 -1.6550 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7680 -2.8930 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -5.0310 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8520 -2.2150 5.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1640 -3.5380 6.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 -3.5520 7.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7710 -3.3200 9.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4900 -5.8870 10.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1600 -5.2980 10.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 -4.8940 13.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8190 -2.5330 14.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6550 -1.1830 13.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 -1.3170 1.1980 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8570 -0.8710 2.1220 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 56 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 12 56 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END