IBS-ZINC00538088 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 34 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.2030 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0360 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 1.4360 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 2.0970 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 1.9670 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 1.1610 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -0.5080 -0.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0410 1.5800 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 0.7340 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3320 1.3540 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2790 2.7200 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6010 3.2470 -0.0490 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4440 3.6100 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5670 3.1420 -0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2710 4.9470 -0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3740 5.7900 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3180 7.0850 -0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4690 7.7320 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5470 6.9470 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0030 5.2710 -0.0770 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 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 1.1070 3.1760 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0070 -0.3410 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2640 0.8070 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 5.3200 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5320 8.8110 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 7.2800 -0.0890 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 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 M END