OTAVA-ZINC05414043 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 -0.0320 1.5350 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 0.0050 0.0450 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4890 -0.3480 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5070 1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -2.0110 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -2.6880 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -2.0230 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -3.1030 0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -4.5000 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -4.1100 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -5.0990 1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -6.3460 1.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -6.6590 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -5.7830 0.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -4.7020 1.9020 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 -6.3480 2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -6.2530 2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -5.1770 2.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 -7.3620 3.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0020 -7.2890 3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 -6.1550 4.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8320 -6.0860 4.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6760 -7.1450 4.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1880 -8.2760 3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8510 -8.3540 3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 -9.7780 2.5340 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -0.5250 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 1.9110 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 1.8980 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 1.8860 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 0.0060 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -0.3170 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -2.1900 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -2.4130 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -7.6950 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -6.7480 3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -7.0090 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -8.2110 3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 -5.3270 4.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2180 -5.2040 5.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7200 -7.0880 4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8490 -9.1020 3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.0370 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -0.3220 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 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 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END