CHEMBRIDGE-ZINC04957492 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3890 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 1.1780 -0.6900 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0130 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.4280 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 2.1030 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 2.1330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 1.3940 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 0.0060 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -0.6370 -0.0340 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5690 -2.0530 -0.0410 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6280 3.5210 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 4.1960 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 5.4940 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1740 6.2050 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2060 7.6020 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4180 8.2600 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 7.5400 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5760 6.1570 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3710 5.4850 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8970 8.2540 -0.0510 N 0 3 0 0 0 0 0 0 0 0 0 0 9.9220 9.4720 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9390 7.6240 -0.0640 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9630 1.9090 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -0.5480 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -1.7700 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 3.1820 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 1.8950 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -0.5600 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 4.0230 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 6.0530 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 8.1650 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4450 9.3400 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5020 5.6020 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 4.4050 -0.0340 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 10 1 M CHG 1 11 -1 M CHG 1 21 1 M CHG 1 23 -1 M END