NIH-ZINC01813680 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.1630 0.7880 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 0.8700 3.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 2.7290 1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 3.0870 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 4.5400 0.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 5.4750 -0.4000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8080 5.2390 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 6.8560 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 8.0480 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 8.0430 -1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 7.1980 -2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 7.1960 -3.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 8.0310 -2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 8.8730 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 8.8860 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 9.9130 -0.9350 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 8.0260 -3.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 7.1380 -4.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 9.2190 -0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 6.6830 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 7.5690 0.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 5.2300 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 4.7400 0.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 5.4010 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 5.2570 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 5.1900 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 5.2670 2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 5.4120 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 5.4840 1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 5.2010 2.8090 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -0.3000 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 1.2060 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 1.0990 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 1.3450 3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -0.2130 3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 1.1800 3.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 3.2090 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 3.0740 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 2.7410 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 2.6060 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 6.5480 -2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 6.5450 -3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 9.5420 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 6.1120 -3.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 7.3910 -5.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 7.2320 -4.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 9.9980 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 5.1960 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 5.0770 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 5.4720 3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 5.6010 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 1.2720 1.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 52 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 19 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 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 43 1 0 0 0 0 17 18 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END