IBS-ZINC06662697 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0100 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 1.8390 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 0.6980 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -0.3840 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -1.3050 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 3.2190 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 4.1520 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 3.4530 -0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 5.0080 -0.0300 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6060 4.9190 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4680 5.6990 -1.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 5.6910 1.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 5.1990 2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7230 6.0780 3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2400 5.5890 4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 4.2240 4.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8430 3.3450 4.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 3.8290 2.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 3.6120 6.4720 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.7700 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.1740 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6160 0.6620 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 2.7090 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1150 6.4330 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6770 7.1440 3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5980 6.2720 5.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8920 2.2800 4.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 3.1430 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M END