CHEMBRIDGE-ZINC04754949 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 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 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8150 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5530 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.3880 2.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5580 -2.0350 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -3.9170 2.4230 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4980 -4.2850 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -4.4780 3.5670 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4220 -4.2300 3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -3.8860 4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -4.8470 5.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -6.0940 5.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -5.9650 3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 -6.8360 2.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -2.4000 5.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -1.9130 3.7930 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5920 -2.4700 3.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.4850 3.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 -4.3450 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 -3.9970 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 -4.3890 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 -5.1290 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -5.4760 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -5.0880 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -6.2680 -1.9440 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5220 -6.6120 -3.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -6.5740 -1.6530 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 -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 1.5540 -6.9430 5.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -2.2080 5.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 -1.8960 5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -3.5590 3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -2.1320 4.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -2.1160 2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -0.1110 4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 -3.4200 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 -4.1180 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -5.4340 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -5.3630 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 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 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END