IBS-ZINC05032396 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.1320 1.2240 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.1810 -0.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -0.6100 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -1.9950 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -2.5670 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -1.7650 3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -0.3740 3.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 0.2000 2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -2.3570 4.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 -1.8570 5.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -2.9770 6.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -4.1270 5.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -3.7190 4.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -5.4810 5.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -6.5610 5.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 -7.9160 5.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -8.1070 6.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 -8.8870 4.9190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -8.4390 3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -9.3310 2.5790 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -6.6800 3.7880 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -10.3010 5.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -10.8130 6.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -12.2780 6.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 -12.8700 6.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 1.7210 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 1.3980 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 1.6500 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -2.6380 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -3.6510 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 0.2890 3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 1.2820 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -0.8160 5.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2340 -2.9520 7.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 -5.6260 6.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -10.8930 4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 -10.3970 5.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -10.2210 7.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -10.7040 5.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -12.7240 7.2990 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 M CHG 1 40 -1 M END