OTAVA-ZINC05486094 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 -0.0790 1.5350 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 0.0280 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.6700 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -2.0500 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -2.7400 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -2.0310 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -0.6510 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -4.2220 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -4.9320 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -6.6520 0.4800 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -6.3870 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -5.0240 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -4.6150 -1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -3.4320 -1.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -5.5600 -2.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -6.8760 -2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -7.2680 -1.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -5.1670 -3.1500 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8500 -4.0800 -3.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 -5.7010 -4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -5.7400 -2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0820 -6.4110 -1.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2250 -5.5070 -3.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4130 -6.1160 -2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6410 -6.3300 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8150 -6.9300 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7640 -7.3180 -2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5440 -7.1080 -3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3720 -6.5020 -3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1570 -6.2890 -5.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1840 -6.7100 -6.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 1.9190 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 1.8950 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 1.8800 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.1350 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.5940 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.5600 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.1010 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -4.5030 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 -7.6170 -2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 -6.7880 -4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -5.4090 -5.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -5.2870 -4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2290 -4.9180 -4.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9020 -6.0290 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9910 -7.0970 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6790 -7.7860 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2870 -7.4120 -4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3390 -7.7840 -5.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1100 -6.1860 -5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8860 -6.4820 -7.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 M END