IBS-ZINC04888546 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.0390 1.2050 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 1.7200 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 3.0450 -1.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 0.8510 -2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -0.5570 -2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -1.0920 -3.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -2.2680 -3.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -0.0820 -3.9700 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 1.1880 -3.3330 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5940 1.8170 -4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 1.8990 -2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 3.2570 -3.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 3.9080 -2.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 3.2030 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 1.8460 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 1.1900 -2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -0.1380 -2.0130 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -0.2220 -5.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 -1.4900 -5.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 -1.6310 -6.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 -0.5000 -7.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 0.7720 -6.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 0.9060 -5.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 -0.6480 -8.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9790 -1.7540 -8.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -1.2170 -1.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.1160 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 1.5410 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 1.5860 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 3.8090 -3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 4.9700 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5510 3.7140 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2990 1.2950 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 -2.3630 -5.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 -2.6150 -7.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 1.6480 -7.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 1.8880 -5.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 3.3300 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 0.4440 -9.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8050 0.2970 -9.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 26 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 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 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 39 40 1 0 0 0 0 M END