CHEMBRIDGE-ZINC00111726 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 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 -6.7250 3.1020 -2.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3650 2.5380 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7130 2.8340 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6330 2.6760 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2300 2.2220 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8920 1.9260 1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9650 2.0760 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1440 2.0670 2.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6620 1.5970 3.5240 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 -9.0280 3.1870 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6730 2.9040 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5840 1.5740 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9270 1.8420 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2020 0.6180 3.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9230 2.2970 3.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4930 1.5180 4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 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 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 M END