IBS-ZINC05163418 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 -0.0150 0.7780 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 0.8700 2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 2.9190 1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 3.4360 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 4.9620 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 5.3870 -0.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 6.6880 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 7.6640 -0.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 8.9160 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 9.1790 -1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 8.1360 -2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 6.8930 -2.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 8.2410 -3.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1920 9.0170 -3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 9.7630 -5.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 8.8600 -6.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 8.2260 -6.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6420 7.4020 -4.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 10.5450 -2.0300 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5820 10.9520 -3.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 11.2310 -1.2320 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6920 9.8870 0.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.3090 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 1.1150 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 1.0840 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 1.1980 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -0.2200 2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 1.2650 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 3.2580 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 3.2500 2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 3.1530 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 2.9700 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 5.2540 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 5.4370 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 4.7470 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0280 8.3080 -3.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 9.7170 -2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 10.2380 -5.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4870 10.5510 -5.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 7.5740 -6.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 8.9930 -6.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 6.9910 -4.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 6.5630 -4.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 9.6020 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 10.8430 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.3980 1.4950 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9070 1.0880 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 46 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 46 1 M END