IBS-ZINC01898188 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3750 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -0.6830 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 0.0440 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4220 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0870 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 2.1930 0.0350 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7180 1.6100 0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 3.4110 0.0440 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2550 -2.1530 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.8540 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -4.3170 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -5.1420 0.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -4.5610 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -5.7200 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -5.6310 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 -4.3880 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 -3.2290 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -3.3010 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -2.3370 0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5800 -4.3100 0.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2950 -5.5410 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7400 -5.2660 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8550 -5.0530 0.7070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9010 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -0.4730 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1660 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -2.6740 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -6.6850 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 -6.5280 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 -2.2690 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0780 -6.1760 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9870 -6.0490 1.5250 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 24 3 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END