CHEMBRIDGE-ZINC02816580 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 40 0 0 1 0 0 0 0 0999 V2000 2.0410 2.9520 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 1.6630 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 0.5950 -0.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -0.7600 -0.9800 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -0.3880 -1.9490 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -1.6500 -1.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 -3.0250 -2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -3.5670 -3.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -1.5240 1.0050 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -1.8650 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -3.0980 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -3.6430 -0.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 -3.5260 1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -4.7030 0.7550 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6410 -5.4160 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4310 -4.3080 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -3.5610 -1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1980 -5.5310 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 -5.3590 1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 -4.5280 2.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 2.8910 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 3.1400 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 3.8010 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 1.4740 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 1.7340 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -3.5670 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -3.1460 -2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -4.6290 -3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -3.0200 -4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -3.4410 -2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -2.0240 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -1.0030 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 -3.0560 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 -3.6370 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 -4.1460 -1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -3.3530 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -2.5950 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7800 -6.0100 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9080 -5.2420 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 -6.2750 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -6.6210 1.9810 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 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 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 M CHG 1 41 -1 M END