IBS-ZINC05452073 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 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 1.2040 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 1.4310 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 2.0980 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 1.9590 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 1.1490 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -0.5170 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9690 1.5340 -0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 0.6010 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -0.5760 -0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 1.0210 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6460 0.1880 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4820 -1.0850 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3700 -1.9200 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8970 -2.2400 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1070 -0.9340 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1430 -3.2030 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 -3.4290 -0.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1860 -4.0990 1.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.7560 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 3.1770 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2010 2.4760 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5860 1.6200 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6030 1.6110 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0260 0.7730 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7110 0.7770 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1120 -1.6640 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5250 -0.8180 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7760 -1.3550 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 -2.8380 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8070 -2.7980 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 -1.1590 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4940 -0.3430 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7200 -3.9180 2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6840 -4.9250 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2440 -0.1730 -0.0890 N 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 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 25 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END