OTAVA-ZINC06142274 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3530 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -0.4980 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -0.6720 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -1.8910 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 0.0830 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 1.4780 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 2.0620 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 1.9480 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 0.8620 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -0.2380 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1660 0.9320 -0.0520 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 -0.7900 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -1.2510 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8520 -0.4490 -0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1910 -2.5760 -0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1080 -2.8940 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1740 -3.4580 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4160 -4.6500 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8950 -3.0430 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 -3.6990 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 -1.6790 -0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 3.3540 -0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1470 3.9910 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 3.7630 -1.4090 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7420 4.2760 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 4.7230 -1.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4880 5.7120 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 4.7820 0.4470 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1510 5.6390 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 3.5510 0.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1640 4.8550 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1720 5.0250 2.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 4.2010 -1.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 2.6160 -2.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 1.8620 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6850 3.9320 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6680 5.6990 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0570 5.0790 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6800 4.7650 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 2.8150 -3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 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 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 31 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 35 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 34 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 41 1 0 0 0 0 M END