CHEMBRIDGE-ZINC04539312 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 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 2.4020 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 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 0.0280 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0890 -0.6960 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 -2.1020 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 -2.6880 -0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 -2.0170 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2370 -2.9230 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2790 -4.1360 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4300 -4.8970 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5410 -4.4570 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5060 -3.2540 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3580 -2.4880 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -0.0080 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6540 1.0070 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8790 1.6430 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8560 1.2760 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6120 0.2680 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3890 -0.3710 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1670 1.9620 -0.0940 N 0 3 0 0 0 0 0 0 0 0 0 0 11.3850 2.8480 -0.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0290 1.6400 0.7040 O 0 5 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 1.9840 -0.0190 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 4.8990 1.1080 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4120 -4.4800 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4640 -5.8370 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4400 -5.0560 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3770 -2.9160 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3300 -1.5500 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 1.2950 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 2.4300 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3780 -0.0150 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1980 -1.1530 1.5690 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 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 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END