IFLAB-ZINC04248806 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 1.4870 1.7930 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 0.3130 1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -0.4780 1.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.8250 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -2.6510 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -4.0200 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -4.5690 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -3.7410 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -2.3730 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -5.9570 1.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -6.7810 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -6.3240 -0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -8.2710 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -9.0980 -0.2180 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -10.7770 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -11.1940 1.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -12.5340 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -12.9730 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -11.8630 -0.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -11.8510 -1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -11.8200 -2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -13.0020 -3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -12.9740 -4.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -11.7610 -4.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -10.5780 -4.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -10.6080 -3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -11.7250 -6.3430 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 2.0780 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 2.3960 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 1.9580 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 0.0270 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 0.1470 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -2.2240 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -4.6630 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -4.1680 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -1.7300 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -6.3250 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -8.6190 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -8.5020 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -13.1530 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -14.0020 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -12.7480 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -10.9690 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -13.9480 -2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -13.8980 -4.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -9.6310 -4.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 -9.6840 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 M END