IBS-ZINC06669844 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.6110 1.1810 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -0.2830 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -1.0210 0.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -0.8480 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -2.1840 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -2.7630 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -2.0340 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -0.6880 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -0.1000 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8310 -2.6320 0.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 -3.9830 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 -4.9010 0.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 -4.2520 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 -2.9030 0.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.8240 -2.6400 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0150 -1.9300 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 -0.7310 0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0140 -1.7350 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0140 -1.9150 -2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3170 -2.0610 -3.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2920 -3.1990 -3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3040 -3.0260 -2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3360 -2.3050 -4.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5000 -2.6300 -4.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8570 -2.1350 -5.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.4920 -2.2820 -6.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9040 -1.8680 -6.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 1.4360 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 1.4050 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 1.7870 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -2.7930 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -3.8030 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -0.0420 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 0.9430 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7800 -5.0090 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8260 -4.6340 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 -0.8220 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5290 -1.7130 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6370 -2.7960 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6950 -1.0550 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7980 -1.1200 -3.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8090 -4.1630 -3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7370 -3.2490 -4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 -3.8930 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7070 -2.1160 -2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0580 -2.9200 -0.9870 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.6550 -3.7570 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 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 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END