IBS-ZINC02290727 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 66 0 0 0 0 0 0 0 0999 V2000 0.0940 0.8850 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -0.4740 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -0.9190 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 0.0010 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 1.3670 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 1.8040 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 2.3390 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 2.6190 -1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4230 3.3190 -1.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 2.7440 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6150 3.7610 -1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9100 4.9750 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5590 4.6750 -1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 5.5670 -1.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 6.8300 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 7.8410 -2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 9.1760 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 9.5090 -2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7570 8.5050 -1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3860 7.1710 -1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 6.2560 -1.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0450 3.6080 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8850 4.3110 -1.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3890 2.6110 -0.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7680 2.2400 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5580 3.3140 0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5800 3.7430 2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9390 3.1830 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7910 3.0160 1.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2310 2.0990 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8840 2.5960 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 1.4070 -1.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 -0.4330 -0.5640 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 1.2290 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -1.1850 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -1.9740 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 2.8610 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 3.2790 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 1.9290 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 1.7020 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 3.2260 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 7.5830 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 9.9480 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 10.5460 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8090 8.7720 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6370 2.1300 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7480 1.3040 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2290 2.0380 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7110 4.2230 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0260 3.5790 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9060 3.8160 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6800 4.7170 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4330 3.8780 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8350 2.2230 3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9370 2.0070 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1380 1.1110 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9810 3.5640 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4370 1.8590 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 0.7520 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7260 0.9550 -1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9310 2.8030 1.1270 N 0 3 0 0 0 0 0 0 0 0 0 0 12.8050 1.8960 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 61 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END