IBS-ZINC04137408 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0870 0.9430 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 0.9150 2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 2.9370 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 3.4510 2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 4.9150 2.4770 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 5.8060 1.6630 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6770 5.6380 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 7.2150 2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 7.1120 2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 5.6820 3.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 5.2620 4.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 8.1510 3.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 8.4550 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 9.1960 0.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 8.8050 1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9760 8.0180 2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2940 8.3470 2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8540 9.4560 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 10.2440 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 9.9260 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 11.3310 0.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0210 11.6030 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 5.5670 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 5.4010 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 5.1820 -2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 5.1300 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 5.2960 -1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 5.5210 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 5.2300 -2.2050 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -0.1460 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 1.2730 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.3140 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 1.1850 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -0.1710 2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 1.3200 3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 3.3190 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 3.2780 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 3.1090 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 3.0690 3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 7.8880 4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 7.1510 3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8900 7.7380 3.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8870 9.7090 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 10.5420 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1360 11.7660 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3390 12.4950 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6340 10.7560 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 5.4420 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 5.0520 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 4.9590 -3.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 5.6550 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 1.4680 1.3940 N 0 0 0 0 0 0 0 0 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 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 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 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 2 0 0 0 0 8 13 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 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 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 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 51 1 0 0 0 0 M END