IFLAB-ZINC05043736 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 0 0 0 0 0 0999 V2000 -0.0610 1.5620 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 0.0340 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -0.4790 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -1.8170 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -2.5350 -0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -2.4090 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -3.7980 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 -4.3450 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -3.5210 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2670 -2.1380 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 -1.5840 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6930 -4.0800 0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8040 -3.5540 1.1550 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.8580 -2.1400 1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9430 -4.3920 1.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1820 -3.8680 2.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 -2.8220 3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3560 -5.1920 3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 1.9480 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 1.9560 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 1.8720 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -0.2760 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -0.3590 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -4.4380 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4240 -5.4180 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1370 -1.5020 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 -0.5120 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9300 -4.7770 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1580 -2.2520 3.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 -3.2800 4.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9690 -2.1570 2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 -5.8580 2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3010 -5.1070 4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3270 -5.5960 2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M END