IFLAB-ZINC02696583 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0720 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -5.2700 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -4.5130 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 -4.9050 0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 -4.5260 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -5.2890 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5800 -4.3620 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4290 -4.6150 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7010 -4.0770 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1310 -3.2880 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 -3.0340 -0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -3.5640 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8330 -2.0440 -2.3170 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.2690 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.5200 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.0160 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 -4.9000 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -6.3360 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 -3.4400 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 -4.7580 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 -3.4530 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 -4.7810 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -6.3570 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -4.9320 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 -5.2320 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3600 -4.2740 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1260 -2.8690 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3530 -3.3620 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 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 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 45 1 0 0 0 0 M END