IBS-ZINC05451566 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8230 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -2.6700 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -4.0360 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -4.5740 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -3.7190 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -2.3480 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -4.2330 3.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -6.0350 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -7.0130 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -8.2270 1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -7.8970 2.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -6.7010 2.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -9.6240 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -6.8300 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -7.2330 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -7.0600 -2.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -6.4880 -2.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -6.0860 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -6.2590 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -2.2550 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -4.6900 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -1.6860 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 -4.3690 3.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -9.9460 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -10.3020 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -9.6340 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -7.6800 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -7.3720 -3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -6.3540 -3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 -5.6400 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -5.9490 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END