IBS-ZINC04095003 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 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 1.2100 -0.6950 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -2.1580 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -2.7860 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -2.8090 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -3.7790 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -2.1330 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -0.7350 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -0.0820 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 -0.7530 0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 -0.0980 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7270 1.2980 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9400 1.9540 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1270 1.2390 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1120 -0.1410 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 -0.8260 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 -2.3000 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 -2.8920 0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -2.8200 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 0.0130 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 0.5740 -0.0290 N 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 -3.8070 1.8630 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 3.0340 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0700 1.7650 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0420 -0.6910 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -3.7850 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0330 -2.9910 0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9680 -3.9550 0.0590 H 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 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 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 16 2 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 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 20 30 1 0 0 0 0 21 22 3 0 0 0 0 31 32 1 0 0 0 0 M END