CHEMBRIDGE-ZINC02833352 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -2.4290 1.0600 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -0.3800 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -0.7430 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -2.0580 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -3.0260 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -2.6500 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -1.3320 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 -0.9330 -1.1330 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9820 -1.6850 -1.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1070 0.1480 -1.6880 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7330 -4.4310 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -5.0040 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -4.4450 2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -3.3410 2.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -5.2330 3.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -6.4360 3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -7.5940 4.1870 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -6.6060 1.4170 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -4.8100 4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -3.9770 5.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -3.5560 6.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -3.9620 7.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -4.7990 7.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -5.2180 5.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -5.2350 8.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -5.9640 7.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 1.5660 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 1.1040 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 1.5530 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 0.0050 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -2.3400 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -3.3920 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -5.0060 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -3.6560 4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -2.9090 6.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -3.6320 8.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -5.8620 5.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -4.8250 9.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -5.1360 9.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 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 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 25 38 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END