CHEMBRIDGE-ZINC02930779 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 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 3 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 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7510 -0.0990 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.0640 2.4970 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0220 1.0250 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -0.5840 2.4250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4470 -1.6740 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -0.0740 1.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1510 1.0160 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -0.4990 0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -0.6130 1.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 0.1600 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 -0.3510 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 0.4250 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4940 1.7110 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 2.2100 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 1.4430 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 3.5740 -1.0410 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7920 4.2530 -1.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 4.0160 -0.9520 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.1540 -0.1120 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4020 -1.2310 0.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -0.1120 3.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -0.5930 3.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -1.9380 1.2080 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 -3.6590 -1.5080 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9860 -1.3470 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2750 2.3150 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2090 1.8410 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 -0.4040 3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -0.3490 4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -2.2920 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1300 0.6400 -0.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0120 0.2450 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 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 32 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END