IBS-ZINC05337064 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.6730 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0820 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7980 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0590 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6820 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 0.0510 -2.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.7510 -2.5920 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0400 -3.0500 -3.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -3.0200 -3.1400 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1360 -0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -4.7890 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -4.0940 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.7750 2.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -4.8920 3.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -4.3500 4.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -6.2380 3.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -6.8470 2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -8.0620 2.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -6.1740 1.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -6.9160 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -7.0500 4.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.1280 2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 1.0200 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.4080 -3.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -7.0850 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -7.8740 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 -6.3390 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -6.3970 5.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -7.6920 4.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -7.6670 4.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 12 2 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END