IBS-ZINC02134989 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.7250 1.8400 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 0.4150 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -0.0320 1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -0.5280 0.1370 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0470 -0.4560 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -0.1400 -1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 -0.5900 -2.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 0.7070 -0.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 1.2390 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 2.5620 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 2.1930 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 1.2590 -2.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4160 1.8230 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 0.1420 -2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 -1.0040 -2.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -1.9040 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -2.8350 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -2.5450 1.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -4.2130 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -5.2290 1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -6.5020 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -6.7720 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -5.7730 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -4.4870 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -3.4550 -1.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 -3.6300 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -2.2170 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -1.3410 -1.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 2.5220 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 2.1370 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 1.8780 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 0.3910 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.0070 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -1.0470 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 0.6400 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.5400 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 1.4340 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 2.8170 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 3.3740 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0710 1.6710 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 3.0830 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -5.0220 2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -7.2940 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -7.7730 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -5.9920 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 0.4200 -3.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9340 -0.3290 -4.3150 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 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 46 47 1 0 0 0 0 M END