IBS-ZINC04857453 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2090 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0200 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 1.3990 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 3.5700 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 4.3840 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 5.6030 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 5.5040 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 4.3360 0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 6.8790 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 7.2990 -1.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 8.8380 -1.6840 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 8.9200 -3.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 9.7100 -0.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 8.9980 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 8.6830 -1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3270 8.8090 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 9.2500 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 9.5660 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 9.4450 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0440 9.4080 0.8480 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -2.4180 -0.0220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -0.5140 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 1.9460 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 7.6580 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 6.7100 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 6.6760 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 8.3380 -2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2030 8.5620 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4480 9.9110 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 9.6960 0.9090 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 24 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M END