IBS-ZINC02122108 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 0.2090 1.7750 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 0.2540 -0.1650 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8220 -0.0940 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -0.3230 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -2.2550 0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -1.5830 -0.5240 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6390 -1.9270 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -0.1580 -0.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -1.9110 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -2.4650 2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -3.9530 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -4.4420 1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 -5.8750 1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -6.2540 1.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -6.7540 2.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -6.2790 2.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -4.9110 2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -4.5470 3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -5.5200 3.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -6.8910 3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -7.2590 3.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -7.9240 4.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -8.2330 5.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -9.1980 5.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 -9.8670 5.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -9.5750 3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -8.6100 3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -5.0410 4.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 2.1550 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 2.1800 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 2.1640 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -0.0710 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 0.0140 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -1.9350 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -3.3430 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -1.5390 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 -1.4220 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 -2.9900 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -2.1540 3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -1.9780 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 -3.7960 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -3.5110 3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -8.3100 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -7.7260 6.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 -9.4290 7.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -10.6190 5.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 -10.1000 2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 -8.3920 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 -5.7890 4.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -1.8450 1.1370 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1810 -2.1790 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 50 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 50 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 50 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 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 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END