IBS-ZINC02196940 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 0.7070 -0.5480 -2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -0.8490 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -1.4440 -1.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -1.7710 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -1.5660 0.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 -2.3930 -0.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5940 -1.9880 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 -2.0940 1.3320 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9190 -2.3570 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 -2.8860 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7820 -2.4710 2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9600 -3.1580 2.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2520 -4.2690 1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 -4.6820 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -3.9900 0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -4.4880 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -3.9140 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -4.2430 -1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -4.5120 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 -0.6640 1.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 0.1070 2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -0.6070 3.4910 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 1.4400 2.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 2.2110 3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 1.7050 4.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 3.6730 3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 4.4740 4.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 5.8380 4.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 6.4120 3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 5.6230 2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 4.2580 2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -0.1010 -2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.4730 -3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 0.1460 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -1.5430 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 0.0760 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5540 -1.6030 3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6520 -2.8290 3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1720 -4.8120 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5920 -5.5500 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -5.5760 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 -4.1840 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -3.8950 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -5.3210 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -3.7460 -2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -4.2840 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 -5.5930 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -4.0860 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -0.2730 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 1.8440 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 4.0280 4.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 6.4600 4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 7.4800 3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 6.0770 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 3.6440 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 M END