CHEMBRIDGE-ZINC02863108 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -0.9010 -1.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -0.5750 1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -1.0560 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 -1.1460 2.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3740 -1.6270 2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6660 -1.9600 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 -1.6090 -0.1980 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -0.5890 -1.4900 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 0.0010 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -0.4130 -2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.1380 -2.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 0.3540 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 -0.6690 -3.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 -0.6180 -4.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 -1.2670 -4.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 -1.7350 -5.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -1.0890 -3.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -0.2750 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -1.7420 2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6030 -2.3690 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 1.0880 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -0.4320 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 21 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M END