IBS-ZINC05556901 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.1120 1.4970 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.0290 0.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0590 -0.4640 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -0.4670 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -0.6900 1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -0.6100 2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -0.4000 2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -0.6370 4.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -0.5570 4.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -1.0020 4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -0.9950 3.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -1.3390 4.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -1.6730 5.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6690 6.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -1.3330 6.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 0.1210 -2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 -0.4240 -3.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -1.9370 -3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -2.6160 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -2.0780 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 1.9350 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 1.8690 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 1.8850 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -0.1000 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -1.3460 3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 -1.9370 5.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -1.9300 7.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -1.3310 6.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 1.1880 -2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 -0.0370 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 0.0470 -4.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -0.1500 -3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.2060 -4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -2.2960 -4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -3.6970 -2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -2.4630 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -2.2710 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -2.5290 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -0.5690 -1.2480 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6580 -0.4080 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 39 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 39 1 M END