CHEMBRIDGE-ZINC03105878 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 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 0 0 0 0 0 0 0 0 0 0 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -2.0420 1.4760 P 0 0 3 0 0 0 0 0 0 0 0 0 -0.7540 -2.8750 1.6340 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -2.8140 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -2.2570 3.2900 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -4.0560 3.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -4.5810 2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 -3.8160 1.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 -5.9000 2.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -6.4100 1.5340 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4020 -5.8270 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 -7.8780 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -7.9820 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -7.9200 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -8.0150 -1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -8.1720 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -8.2350 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -8.1440 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 -6.2930 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 -5.8320 3.2650 O 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -2.3260 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -3.8730 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -2.7030 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -4.2960 4.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -4.5180 3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 -6.5120 3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 -8.2820 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 -8.4440 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -7.7970 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -7.9660 -2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -8.2460 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -8.3570 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -8.1960 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8840 -6.7020 1.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 -6.6080 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 6 28 1 0 0 0 0 6 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 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 41 42 1 0 0 0 0 M END