IBS-ZINC00543761 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 -0.5310 1.4450 1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 0.0910 0.8490 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8080 0.2110 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.9350 1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -2.2620 1.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -2.6930 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -1.6050 -0.6540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1130 -1.4710 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -0.3470 -0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -1.9720 -1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -2.9680 1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -2.4940 2.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -4.2230 1.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 -5.1700 1.7470 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6080 -4.6100 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -6.0770 2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -5.3890 4.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -6.3700 5.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 -4.8810 4.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -6.1550 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 -6.2170 -0.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 1.8420 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 2.1630 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 1.3740 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -0.6050 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -1.0370 2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -3.6330 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -2.8540 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -2.0630 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -1.1870 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -2.9150 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -4.6090 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -6.5290 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -6.9140 3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -4.5430 4.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -7.2470 5.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -5.8910 6.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -6.7170 4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -4.1090 4.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -4.4390 5.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 -5.6940 4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 -6.7560 0.6000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 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 32 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 M CHG 1 42 -1 M END