CHEMBRIDGE-ZINC00948651 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4050 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 1.3090 -0.3780 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 0.7370 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -1.7670 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 -2.1280 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -4.8870 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 -3.4400 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -3.9490 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -2.8520 -0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 -4.3720 -0.0660 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -3.0260 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2960 -3.6020 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4550 -4.8040 -0.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4620 -2.7050 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7570 -3.2360 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8450 -2.3900 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6590 -1.0180 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3810 -0.4840 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2830 -1.3180 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1590 0.1340 -0.1150 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 2.0350 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -0.6600 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 2.8450 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -2.4070 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 -2.4160 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9030 -4.3060 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8440 -2.7990 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2440 0.5870 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 -0.9010 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M END