CHEMBRIDGE-ZINC00658684 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2050 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4270 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6880 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 0.0400 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0940 -0.6330 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -2.0340 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8380 -2.7010 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 -2.0150 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 -4.4620 -0.0640 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 -4.7300 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -6.2100 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -7.0050 -0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -6.6500 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -8.0140 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -8.5410 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -9.8590 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -10.4760 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -9.2420 -0.0730 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 -2.7760 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2740 -3.3640 -0.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3980 0.1220 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1410 1.4970 -0.0580 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1430 -0.2200 1.0680 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1210 -0.2100 -1.2160 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9850 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 1.1190 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -4.2800 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -4.2720 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -6.0140 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -10.3960 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -11.5440 -0.0670 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 23 24 3 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M END