CHEMBRIDGE-ZINC04978725 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2070 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0300 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4180 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0880 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 -0.6320 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 0.1640 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -0.7500 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 0.1020 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4780 -0.7990 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3370 -2.0030 -0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7100 -0.2680 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6470 -1.0460 -0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8680 -0.5940 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0070 -1.5400 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7750 -2.9160 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8410 -3.7920 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1370 -3.3080 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3740 -1.9450 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3160 -1.0590 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7640 -1.4370 -0.1620 N 0 3 0 0 0 0 0 0 0 0 0 0 17.6980 -2.2180 -0.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9730 -0.2370 -0.1580 O 0 5 0 0 0 0 0 0 0 0 0 0 12.1010 0.7690 -0.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 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 1.2210 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 1.9720 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.1680 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 0.7970 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 0.7880 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 -1.3840 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -1.3750 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 0.7350 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2940 0.7260 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 -3.2940 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6630 -4.8570 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9680 -3.9980 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5020 0.0050 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3540 1.3880 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0100 1.1050 -0.1150 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 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 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 25 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 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END