IBS-ZINC04747568 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.9380 1.9850 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 0.5000 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 0.0720 -0.9610 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2720 0.7180 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -1.3560 -0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -2.1950 -1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 0.1840 -2.2850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 0.9820 -3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 1.6450 -2.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 1.0210 -4.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 1.7550 -5.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 2.4360 -5.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 3.3260 -6.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 3.7610 -6.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 3.1260 -5.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 2.3370 -4.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 3.2860 -4.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 3.5590 -2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6780 3.7070 -2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 3.5870 -2.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 3.3180 -4.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 3.1610 -5.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 2.8170 -6.7310 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -0.1000 -4.2570 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -0.5250 -2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -1.6180 -1.5640 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 2.5720 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 2.1520 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 2.2890 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 0.3330 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -0.0870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 1.8140 -6.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 3.6270 -7.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 4.4630 -6.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 3.6530 -2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6780 3.9180 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8110 3.7050 -2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8310 3.2260 -4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -1.6970 0.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -2.6250 0.5470 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 39 40 1 0 0 0 0 M END