IBS-ZINC02401370 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 0.9050 0.3170 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.7250 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -1.3950 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -0.5660 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 -0.5260 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 0.2630 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 1.0210 2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 0.9920 2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 0.2030 2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -1.0790 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 -2.0110 -1.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -0.2830 -2.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 0.4650 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -0.4090 -3.6560 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3270 -1.4710 -3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 0.3870 -4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -0.1550 -3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 0.7390 -4.6600 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8810 -0.1160 -3.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 0.2000 -4.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 1.0010 -3.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 0.2730 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 1.2900 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 0.1900 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -2.3690 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -1.6110 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -1.1050 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 0.2920 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 1.6380 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 1.5890 3.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 0.2010 3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 1.4420 -3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 0.3630 -5.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -1.2200 -4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -0.0190 -2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8120 0.2950 -4.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8450 -1.1840 -4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8740 0.0260 -2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -0.1810 -5.4970 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 M CHG 1 39 -1 M END