IFLAB-ZINC05252348 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 0.0230 1.4150 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -0.0860 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -0.7010 0.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -0.7470 0.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -0.0320 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 -0.8680 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -2.2060 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -2.8610 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -2.1280 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7580 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -4.1240 -0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -4.8560 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -4.2260 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -4.7610 -1.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -6.1880 -0.3210 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -7.0520 -0.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -6.5160 -0.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -5.8660 1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -5.9010 2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -5.6470 3.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -5.3590 4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -5.3240 3.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -5.5820 1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -5.0870 5.5380 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4220 -5.1170 6.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -4.8320 5.9760 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0500 1.7680 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 1.8550 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.7100 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 0.9460 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 0.0870 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -1.0440 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -0.3370 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 -2.8620 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 -2.0370 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -2.1850 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -5.9200 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 -4.7990 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -4.3670 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -6.1260 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -5.6740 4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2720 -5.0990 3.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 -5.5590 1.2310 H 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END