IBS-ZINC06757715 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -1.9930 -0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -2.6820 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -2.0930 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -4.1690 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -4.7580 -0.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -4.8580 -0.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -6.2360 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 -7.0280 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 -8.4410 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -8.6770 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -7.1780 -0.5420 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -10.0570 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -11.1050 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 -10.8070 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 -9.5350 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1790 -6.5010 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7880 -6.1900 -1.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 -6.3610 0.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1120 -5.8330 0.9150 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -2.4640 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 -4.3870 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -10.2080 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -10.1480 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 -12.0970 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 -11.0640 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 -10.6620 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6230 -11.6420 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9440 -9.7300 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -9.2210 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4590 -5.7710 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1220 -4.8390 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7700 -6.4920 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 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 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 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 20 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 M END