IBS-ZINC04037891 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0580 0.8480 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 1.4040 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 1.6990 -2.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 1.6060 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 1.9860 -2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 2.0880 -1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 2.3940 -2.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 1.7920 -0.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 1.4660 -0.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0040 0.4440 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 2.4280 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 1.9520 2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 2.8340 3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 4.1920 3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 4.6680 1.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 3.7860 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5240 1.7890 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7110 2.1110 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9000 2.1090 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9140 1.7830 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7200 1.4590 2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 1.4570 1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1860 1.7800 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2230 2.0620 1.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 2.1930 -3.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -0.2410 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 1.1540 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 1.2270 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 0.8900 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 2.4620 4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 4.8810 3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 5.7290 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 4.1580 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7000 2.3640 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8210 2.3600 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 1.2070 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 1.2030 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 1.5380 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1980 1.4650 3.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0550 1.4770 4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 38 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 25 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 39 40 1 0 0 0 0 M END