OTAVA-ZINC01917931 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3880 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 1.1810 -0.6880 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 0.0180 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4340 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 2.1060 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 2.1400 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 1.4810 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 0.0880 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 -0.6750 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 -2.1430 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 -2.7440 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 -4.1440 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -5.0170 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -6.2240 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 -6.1750 -0.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 -4.9240 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7450 -4.3570 -0.1040 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6160 -5.9440 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1030 -5.7000 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8010 -5.5940 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1650 -5.3710 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8310 -5.2540 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1310 -5.3600 -1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7680 -5.5890 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5440 -4.9730 -0.2030 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 -0.5290 -0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5500 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -1.7680 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 3.1850 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 3.2200 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 2.0510 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -2.7220 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -4.7550 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3530 -6.5130 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3270 -6.5050 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2810 -5.6850 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7110 -5.2870 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 -5.2680 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2230 -5.6760 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 -0.7120 0.8230 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 27 42 1 0 0 0 0 M END