IBS-ZINC05454533 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 32 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2050 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4260 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6880 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9310 -0.1110 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 -1.1250 -0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 -2.3080 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 -2.0230 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 -3.4900 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 -3.5010 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 -2.2190 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1420 -1.1000 -0.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2970 -2.2620 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9540 -1.2400 -0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8930 -3.4740 -0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8620 -3.5210 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1880 -4.6140 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -5.6650 -0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8450 -4.6630 -0.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3950 -5.5220 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9840 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1440 0.9480 -0.0430 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 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 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 M END