CHEMBRIDGE-ZINC03879710 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 1.9910 0.1260 1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -0.9710 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -1.7920 2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -2.7980 1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -2.9850 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -2.1580 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -1.1500 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -2.3520 -1.8520 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5100 -1.3880 -2.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -3.4780 -2.3000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5460 -4.0020 0.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 -3.4470 -0.5060 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4470 -2.7810 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -4.5870 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -5.3330 -2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -6.7780 -2.6990 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -7.5210 -3.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -2.6750 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 -2.5950 1.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 -2.0760 0.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 -1.3500 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -3.6780 2.8990 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7620 -3.5140 4.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -4.5650 2.5540 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0100 -0.2590 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 0.9520 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 0.4780 2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -1.6470 3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -0.5030 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -4.6590 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -5.2750 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 -4.1780 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -4.6700 -2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -5.6610 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -6.8030 -4.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -7.7930 -3.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -8.4120 -4.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6850 -2.0340 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 -0.5560 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 -0.9160 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 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 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M CHG 1 22 1 M CHG 1 24 -1 M END