IBS-ZINC04981687 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -1.2690 -0.1270 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 0.0400 2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 2.0310 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 2.6170 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 4.1170 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 4.6780 -1.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 5.2270 -1.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2110 6.0730 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 5.6840 -2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 5.3960 -3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 4.7760 -2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 4.4110 -3.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 5.6170 -4.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9980 6.2660 -2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9300 6.3570 -1.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2850 6.7880 -4.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4570 6.4110 -4.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7210 6.9020 -5.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8310 7.7680 -6.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 8.1480 -5.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 7.6660 -4.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 8.9980 -6.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 9.4610 -7.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 4.1630 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 4.4820 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9060 3.5070 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8350 2.2120 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9300 1.8920 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 2.8700 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8600 0.6260 -0.9030 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -1.1800 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -0.0360 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 0.3010 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 0.1950 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -1.0280 2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 0.5420 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 2.1900 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 2.5240 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 2.1240 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 2.4580 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 4.6100 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 4.2760 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7530 6.7790 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1530 5.7360 -4.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6260 6.6110 -6.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0440 8.1480 -7.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 7.9640 -4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 10.1300 -8.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 8.6090 -8.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0930 9.9960 -7.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 5.4940 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 3.7580 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4840 1.4500 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3990 2.6230 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 0.5910 1.1160 N 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 2 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 1 0 0 0 0 14 16 1 0 0 0 0 15 43 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 30 1 0 0 0 0 29 54 1 0 0 0 0 M END