CHEMBRIDGE-ZINC00179296 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 1.8250 -1.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 2.5580 -4.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 2.2500 -2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 2.2860 -3.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 1.8570 -2.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 2.6920 -3.0640 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9250 2.3860 -1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3750 2.7060 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3040 1.8360 -2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5150 2.5370 -2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2610 3.8170 -1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9570 3.8970 -1.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2360 4.9090 -1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3910 4.7130 -2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8510 6.1310 -1.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8700 7.1650 -1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 1.3390 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 3.0180 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1440 0.7960 -2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4640 2.1430 -2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2750 7.3150 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6700 6.8610 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4290 8.0960 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 15 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 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END