IFLAB-ZINC04248809 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.7930 1.1630 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.0090 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -0.6110 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -0.0840 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -0.6940 -3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -1.8380 -3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 -2.3680 -1.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 -1.7530 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -2.2680 0.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -3.4420 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -2.4560 -4.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -1.7110 -5.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -0.5000 -5.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -2.3820 -6.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 -1.1230 -7.7500 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 -2.1560 -9.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 -3.4690 -9.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 -3.9160 -10.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4790 -2.8540 -10.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 -1.7300 -10.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 -0.3380 -10.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 0.2030 -10.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7560 0.0800 -10.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9470 0.5760 -10.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9760 1.1960 -9.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8120 1.3190 -8.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 0.8270 -8.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4710 1.8190 -8.4920 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 1.9250 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 0.9160 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 1.5420 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 0.8050 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -0.2820 -4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -3.2580 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -3.2300 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -3.7470 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -4.2450 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -3.4200 -4.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 -2.9910 -6.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -3.0170 -7.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 -4.9520 -10.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 -2.8770 -11.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -0.2920 -11.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 0.2590 -10.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7330 -0.4040 -11.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8540 0.4800 -10.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 1.8020 -7.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 0.9270 -8.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 41 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 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 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 46 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 M END