OTAVA-ZINC05034653 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2110 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0310 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 3.5930 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 4.0880 1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 4.3610 2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 4.7820 3.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 4.8780 3.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 4.4140 2.4210 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 5.3010 4.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 5.6500 5.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 5.5940 5.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 6.1000 7.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 6.4620 8.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 6.8810 9.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 6.9440 9.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 6.5850 8.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 6.1700 7.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 7.3700 10.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 7.4890 11.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 7.9180 12.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 8.0790 13.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 7.7620 12.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -2.0300 -0.0200 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -0.4950 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9670 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 3.9710 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 3.9460 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 4.2460 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 5.3450 5.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 6.4120 8.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 7.1610 10.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 6.6350 8.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 5.8950 6.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 7.2700 10.7940 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 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 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M END