CHEMBRIDGE-ZINC04207739 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 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 0.4980 -0.3760 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.5440 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -1.3460 2.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -1.5210 1.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -0.6710 0.1240 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -2.2620 2.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -2.9230 3.5840 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3390 -2.3020 4.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -4.2810 3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -3.1250 4.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -2.9270 5.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -3.1120 6.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5910 -3.4950 5.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 -3.6920 4.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 -3.5030 3.7720 C 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 1.5450 -1.1540 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 0.2940 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -2.3460 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -4.9020 2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -4.1350 2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -4.7730 4.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -2.6280 6.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3990 -2.9580 7.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4890 -3.6400 6.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5320 -3.9920 4.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 -3.6530 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 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 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 M END