IBS-ZINC02140158 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 46 0 0 1 0 0 0 0 0999 V2000 0.0060 1.5560 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 0.0260 -0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0240 -0.3450 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -0.5000 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -1.1510 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -1.4780 2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 -2.1380 3.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 -2.2730 4.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -1.7840 5.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -1.1290 4.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -0.9760 3.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -0.3940 2.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 0.0300 2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -1.4730 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -0.5540 -1.2650 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6560 0.4320 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4780 -1.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -0.9460 -2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 -0.9660 -2.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -1.3930 -3.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -1.2110 -2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -1.5100 -3.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -1.9670 -4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -2.2170 -4.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.7830 -6.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -3.1000 -6.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -2.8520 -6.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -2.2810 -5.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -3.8120 -8.4530 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 1.9160 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 1.9230 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 1.9180 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -2.5230 2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 -2.7780 4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -1.9200 6.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -0.7530 5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -1.3180 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -2.5130 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -1.9700 -4.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -2.9770 -6.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -3.1010 -7.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -2.0830 -4.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 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 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M END