IFLAB-ZINC04139674 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 1.5670 -0.9460 1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -0.1720 0.5770 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6930 0.8890 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.4360 -0.9760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6940 -0.2110 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -1.8910 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -2.7360 -1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -4.0430 -2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -4.1620 -1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -2.7090 -1.0950 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 0.1940 -3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 1.2780 -3.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 2.5420 -3.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 2.9710 -2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 1.9810 -1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -0.4270 1.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 0.1810 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 0.8930 -0.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -0.1380 1.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 0.2800 1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 1.1200 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 1.4900 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1040 1.0220 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6400 0.1860 2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -0.1870 2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7330 -0.3960 3.5830 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -2.0270 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 -0.7390 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -0.6560 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -2.4360 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -4.8540 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -5.0370 -1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.7420 -3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 0.0660 -3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 1.0130 -4.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 1.3720 -3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 3.9490 -2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 3.1040 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 1.8730 -2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 2.3010 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -1.0900 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 -0.7400 2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 1.5120 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5660 2.1450 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1510 1.3140 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -0.8410 3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.5960 -1.7990 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0650 0.7070 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 47 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 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 39 1 0 0 0 0 15 40 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END