IBS-ZINC06661186 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3710 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 1.2150 -0.6890 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 0.0220 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 1.4090 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 2.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.5660 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 4.1890 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 4.2220 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 5.6870 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 6.1750 0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 7.7040 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 8.2240 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 7.7360 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 6.2060 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 -0.6500 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.1480 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -1.9980 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 -2.5900 -0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -2.7550 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -3.9690 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -2.0780 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -2.5620 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.8980 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 1.9610 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 3.7250 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 6.0600 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 5.8020 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 5.8050 1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 8.0520 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 8.0770 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 7.8510 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 9.3130 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 8.1060 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 8.1080 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 5.8590 -1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 5.8330 -1.9870 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 22 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 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