IFLAB-ZINC05258739 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 1 0 0 0 0 0999 V2000 0.0210 1.3100 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 0.0000 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -0.7440 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 -2.4250 1.1160 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9750 -2.6170 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -3.7550 1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -4.6160 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -4.2070 0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -5.8420 1.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -6.6060 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -6.5330 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -7.2870 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -8.1150 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -8.1910 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -7.4420 1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -7.5190 2.9190 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -8.8510 -1.1160 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -1.6130 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 -0.5260 2.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 1.8570 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 1.8430 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -0.5470 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2980 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -0.0330 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 -4.2670 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -3.5660 2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -6.1950 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -5.8870 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -7.2300 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -8.8370 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -1.6800 1.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -1.1990 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 -2.0980 1.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5980 -1.5410 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 4 31 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 M END