IBS-ZINC05310311 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 38 0 0 0 0 0 0 0 0999 V2000 0.2370 1.3880 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 0.0060 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -0.6820 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 0.0190 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 1.4030 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 2.0900 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 3.4900 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 4.1480 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 3.5290 -0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 5.6510 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 6.2310 -0.2850 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 7.9680 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 8.5480 -0.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 8.7470 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 9.8930 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 10.1450 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 8.9110 -0.4970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 11.4520 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 12.4700 -0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 12.1540 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 10.9060 -0.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 14.1260 -0.8360 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 -0.8790 1.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -2.1230 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -2.0200 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 1.9230 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -0.5370 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 1.9480 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 3.9880 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 6.0820 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 5.9580 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 11.6720 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 12.9470 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -2.2200 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -2.9650 1.3220 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 23 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 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 21 2 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 M END