IBS-ZINC05347970 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.0210 1.3510 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.0780 0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -0.7010 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 0.0430 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -0.5880 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -1.9650 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -2.7160 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.0910 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -2.8320 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -4.2530 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -2.6940 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0510 -1.8000 0.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0380 -0.5660 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8230 0.2670 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2850 -2.4350 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0150 -2.6810 1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2410 -3.3140 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6980 -3.6800 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9210 -3.4050 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5320 -2.3070 2.7330 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.1280 -2.6150 3.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5010 -1.6620 2.8030 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0470 1.7200 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 1.7150 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 1.7090 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 1.1220 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 -3.7940 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -4.5670 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -4.5540 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -4.7220 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1770 -3.0550 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 -3.5420 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 -0.8160 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 0.0020 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 0.6560 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 1.0990 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8300 -3.5180 2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6510 -4.1760 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2720 -3.6880 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7570 -2.7960 -0.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 14 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 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 40 2 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 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 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END