IFLAB-ZINC04249064 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 41 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4390 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.0650 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -0.7320 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -2.4440 -0.9580 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -2.1240 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -0.7710 -0.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -0.5200 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -1.7170 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -2.6820 -0.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6340 -1.9290 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 -0.8350 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8460 -1.0340 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3520 -2.3150 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5020 -3.4110 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 -3.2200 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0180 -4.7060 0.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2800 -5.6780 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2080 -5.4090 1.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7750 -7.0700 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0180 -8.0890 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5260 -9.3750 1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7550 -9.6130 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4470 -8.6320 0.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0070 -7.3910 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3970 -11.2260 0.8430 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.8060 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 1.8500 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 1.7500 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -0.3210 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 0.4500 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 0.1680 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5110 -0.1850 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4110 -2.4650 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -4.0710 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9060 -4.9060 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0620 -7.8760 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9690 -10.1860 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6040 -6.6140 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 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 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 M END