IBS-ZINC04994250 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -1.3150 0.2790 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 0.1690 3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 2.3160 1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 2.9290 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 4.4520 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 5.0600 -0.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 5.2220 -1.0470 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0830 4.1920 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 5.9570 -2.4100 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1960 5.9380 -2.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 5.4570 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 5.4050 -1.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 6.2380 -3.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 7.3710 -2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 8.3260 -2.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6610 7.6200 -2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5500 6.6090 -3.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8960 6.9100 -3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3660 8.2170 -3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4870 9.2350 -2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1390 8.9300 -2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8110 10.5510 -2.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1700 10.9150 -2.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7010 5.8130 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 6.9540 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2720 7.4860 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5180 6.8880 1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8660 5.7610 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9610 5.2360 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3180 4.1580 -0.5350 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -0.8130 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 0.6310 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 0.6380 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 0.4790 3.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -0.9160 3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 0.5030 3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 2.6540 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 2.5720 2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 2.6720 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 2.5250 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 4.7460 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 4.8430 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1340 5.3540 -3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2450 5.5750 -3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5860 6.1180 -3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4190 8.4050 -3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4640 9.7340 -2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8280 10.4010 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2600 11.9900 -2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4770 10.7270 -3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 7.4460 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 8.3740 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2200 7.3090 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8400 5.2970 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 0.8020 1.8210 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3270 0.4980 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 55 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 55 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 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 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END