CHEMBRIDGE-ZINC04974080 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 1.9980 1.3650 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -0.0140 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -0.6770 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 0.0410 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 1.4200 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 2.0880 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.4840 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 4.1660 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 3.4880 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 4.1500 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 5.4990 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 6.2920 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 5.6210 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 6.6210 -0.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 7.6600 -0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 7.5590 -0.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 6.1380 -0.3560 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8970 5.4520 -0.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 7.3500 -0.4450 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4360 -0.6710 -2.0190 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1520 -0.0400 -2.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -1.8880 -2.0710 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2490 -2.4110 -0.2510 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 1.8810 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -0.5770 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 1.9800 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 3.9770 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 2.4100 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 3.5640 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 20 1 M CHG 1 22 -1 M END