CHEMBRIDGE-ZINC04913458 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.2960 1.3290 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -0.1840 0.2090 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1710 -0.6160 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -0.5650 1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -2.5640 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -2.0880 -1.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4450 -2.5190 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -0.6570 -0.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -2.4970 -2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -2.5430 2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -2.5280 3.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -3.4710 3.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -3.1260 4.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -2.8410 5.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 -2.5570 6.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 -2.5720 5.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -2.8730 4.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -3.1500 3.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -3.4300 2.3510 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5240 -4.0920 1.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -2.9640 1.6530 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6850 1.7990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 1.5960 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 1.7540 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -0.1240 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.2630 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 -3.6580 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -2.1530 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -3.5840 -2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -2.1440 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -2.0440 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -1.9000 2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -3.5700 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -2.8560 4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -1.5170 4.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -2.8580 6.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -2.3350 7.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 -2.3550 6.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7010 -2.8840 3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -2.0730 1.4780 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0790 -2.5090 1.5720 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 8 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 40 1 M END