IBS-ZINC02151063 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 38 0 0 1 0 0 0 0 0999 V2000 -0.0260 1.4900 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -0.0380 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -0.5500 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -2.0730 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -2.6630 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 -1.8380 0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 1.9930 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 3.5230 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 4.0740 -0.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4750 3.6290 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 5.6050 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 6.1980 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 7.6990 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7010 8.3390 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6490 7.5790 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 1.8650 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 1.8820 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -0.4310 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -0.4120 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -0.1350 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -0.1910 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -2.4860 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -2.4300 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 1.5670 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 1.6300 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 3.9170 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 3.8860 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 5.8900 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 6.0450 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 6.0130 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 5.6960 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 7.8980 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 8.2020 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 -3.9250 0.3350 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7180 9.5650 -0.6820 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6100 3.6680 1.2010 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6050 3.9280 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 2.6530 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 4.1260 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 M CHG 1 34 -1 M CHG 1 35 -1 M CHG 1 36 1 M END