IBS-ZINC04039176 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.1980 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0070 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4100 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.0910 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 1.8310 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 0.6470 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 -0.4010 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 0.7560 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 1.9670 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7350 3.0560 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 3.0030 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 -0.3800 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1880 -0.2500 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 -1.6420 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3480 -1.5070 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9560 -2.8400 -0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2820 -3.5740 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8130 -4.7300 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8110 -4.7030 0.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3040 -3.5710 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.7700 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1710 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 4.0210 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 -1.2590 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 0.2970 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5140 0.2900 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -2.1900 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4980 -2.1820 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6550 -0.9600 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6730 -0.9670 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 -3.2830 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1770 -5.5380 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1820 -3.2700 1.9950 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 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 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 22 37 1 0 0 0 0 M END