IBS-ZINC02354414 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.0740 1.3470 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.0410 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -0.6770 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 0.0650 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 1.4440 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 2.0960 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 2.1770 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 3.4010 -0.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 1.3960 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 0.0340 0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -0.6100 0.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0410 2.0100 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4920 2.2660 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 2.9650 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3430 3.2270 2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6440 2.9800 3.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6070 3.7770 3.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4700 4.2000 1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3610 5.2490 2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5750 4.7110 3.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2530 4.0120 4.3190 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5910 4.6640 4.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6330 2.7570 5.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9220 1.7140 4.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 1.8430 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.6300 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -1.7600 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 3.1790 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 1.3510 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 2.9560 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7440 2.8790 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5450 1.3170 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5940 2.3500 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 3.9270 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0470 3.3280 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9060 4.5950 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2970 5.3990 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8350 6.2100 2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4240 4.0160 3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8090 5.5120 4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6690 2.9460 6.4000 O 0 5 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 M CHG 1 41 -1 M END