CHEMBRIDGE-ZINC00303451 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7890 -2.4840 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.5900 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -3.2130 -0.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -2.3720 1.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 -2.9140 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -2.4260 -1.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -2.5240 -1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -2.3070 -0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.8960 -2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -3.1470 -4.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -3.4930 -5.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -3.5940 -5.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -3.3480 -4.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -2.9940 -3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 -3.4580 -4.5580 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7870 -3.7650 -5.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 -3.2410 -3.6300 O 0 5 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4610 -2.4850 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -3.9970 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 -2.6660 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -2.6000 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -3.0690 -3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -3.6870 -6.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -3.8660 -6.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 -2.7970 -2.3010 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 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END