IBS-ZINC06645438 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -0.4360 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -1.9590 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -2.3230 0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8990 -1.8330 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -3.8170 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 -4.4930 0.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 -4.4010 -1.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -5.8530 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 -6.2550 -2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -7.7490 -3.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -8.6540 -3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -9.9130 -3.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -10.7300 -3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 -9.8470 -3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 -8.4890 -3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 -8.1170 -3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1640 -9.0760 -3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8180 -10.4170 -3.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4960 -10.8050 -3.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -0.0280 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -0.0190 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -2.3660 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -2.3760 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -3.8600 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -6.3500 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 -6.1500 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 -5.7580 -3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -5.9580 -3.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -8.4220 -2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4750 -7.0750 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2040 -8.7880 -3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5920 -11.1630 -3.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2380 -11.8510 -3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -2.3190 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -1.8780 1.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -0.8730 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 40 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 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 M END