IBS-ZINC05047177 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -6.1320 -3.9530 -2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 -2.8480 -1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -2.5840 -0.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2620 -0.4470 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 -1.5430 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6970 -1.2160 -0.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 -2.0400 -1.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -0.7320 1.1750 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 0.9260 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0190 1.7380 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 1.3850 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 1.2290 -1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 0.9070 -2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 0.7320 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 0.8640 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 1.2160 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 0.7010 1.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.4420 1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -0.5940 2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -1.3010 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 -1.4200 3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 -0.8270 4.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -0.1100 4.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 0.0100 4.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2720 1.5410 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 2.6760 1.6540 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.1730 -4.4810 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9150 -4.6760 -2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3200 -3.5730 -3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 2.7610 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 1.3550 -2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 0.7920 -3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 0.4830 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 1.3650 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -0.3230 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -1.3470 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -1.7600 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -1.9720 2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 -0.9180 5.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 0.3600 5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 0.5800 4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2630 0.8200 0.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 2 0 0 0 0 M CHG 1 26 -1 M END