IBS-ZINC05049231 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 1.0950 1.5330 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 1.1980 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 3.0960 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 3.3950 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 4.7890 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 5.1630 -0.9830 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2130 5.0820 -1.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6350 5.6750 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 5.7540 -2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 5.9390 -3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 5.6050 -2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 5.7400 -2.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 6.2950 -4.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 6.1550 -2.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7540 6.7700 -4.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9310 5.9720 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2890 6.8200 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5010 6.6330 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3660 5.6040 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0220 4.7570 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8040 4.9460 -2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7770 3.7190 -2.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0360 3.4960 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 3.6480 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6830 3.2700 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1470 1.9580 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 1.0590 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 1.5110 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 2.7750 -1.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 0.4940 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 2.2170 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 1.7540 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 1.8430 2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 0.1640 2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 1.2370 3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 3.7840 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 3.1530 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 3.3280 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 2.6410 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 4.8550 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 5.5250 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6880 6.9740 -4.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6340 7.6330 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7790 7.2950 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3000 5.4950 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5360 4.2770 -3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5100 2.6460 -2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9110 3.2350 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6950 4.3630 -1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0910 3.9800 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9100 1.6420 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 0.0340 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 0.8500 -2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 1.6870 1.2200 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7570 1.0690 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 54 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 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 42 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 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 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 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END