OTAVA-ZINC05374746 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -0.0080 1.9940 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 0.5390 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 0.0350 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -0.3220 -0.3040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4650 -0.2570 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -1.7550 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -2.3160 -1.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 0.1610 -1.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 1.1750 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 1.6890 -0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 1.6620 -2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 2.7140 -2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 3.1660 -3.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 2.5740 -4.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 1.5200 -4.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 1.0740 -3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4890 3.0580 -5.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 2.1750 -6.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0350 0.7060 -6.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5800 0.1020 -5.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 0.0950 -7.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0820 0.8200 -8.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8450 0.2180 -10.0370 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7890 2.5230 -8.2320 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 -1.3660 -7.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 2.6070 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 2.3530 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 2.0590 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 0.4740 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 0.0990 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -1.0020 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 0.6480 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -0.2490 -2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 3.1700 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5940 3.9780 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 1.0630 -5.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 0.2640 -3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 4.1180 -5.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6340 -1.6760 -7.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6720 -1.7140 -8.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8600 -1.7960 -7.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -2.4090 0.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -3.3270 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 42 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 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 17 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 42 43 1 0 0 0 0 M END