IBS-ZINC06785989 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.3910 0.8320 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 0.3560 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 1.3010 -1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 1.9820 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 1.3790 -1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 2.7570 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 2.6480 -3.5920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 2.9720 -3.5790 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9450 2.3410 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 2.5190 -4.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 2.1450 -5.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 2.1970 -4.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 1.8510 -5.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 1.8450 -6.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 2.3960 -5.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 1.9080 -6.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4050 2.7570 -4.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 4.0040 -4.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1250 4.3060 -4.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6730 3.4610 -3.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0750 2.2580 -2.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9510 1.8610 -3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 4.4410 -3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 4.8130 -2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 6.1590 -1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 7.1540 -2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 6.7980 -3.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 5.4550 -4.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 8.0230 -4.7110 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 1.7670 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 0.9950 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 0.0820 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.1860 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -0.5700 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 1.7950 -2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7710 0.2380 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 1.9280 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 3.0390 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 1.5100 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 1.0770 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 0.5980 -2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 3.4220 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 3.2290 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 1.8800 -6.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6130 4.7300 -5.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 5.2650 -4.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5390 1.5960 -2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5280 0.8750 -3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 4.0570 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 6.4320 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 8.1990 -2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 5.2050 -4.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.4170 -0.9230 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3370 2.3320 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 53 1 0 0 0 0 4 37 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 40 1 0 0 0 0 5 41 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 44 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 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 48 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 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END