IBS-ZINC05218992 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.2280 1.6090 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 0.2210 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -0.4480 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 0.2560 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 1.6750 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 2.3300 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 2.5040 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 1.8540 0.0980 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5050 -0.4000 0.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -1.7350 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 -2.3940 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 -1.7060 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3350 -0.5240 -0.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3320 -2.5040 0.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3880 -3.8450 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4840 -4.4030 0.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -4.4920 0.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 -3.8610 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 -4.4660 0.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2060 -5.9350 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2830 -6.2660 2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 -6.4750 2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1830 -6.7680 4.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4240 -6.8470 4.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5960 -6.6360 4.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5270 -6.3450 2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4920 -7.1290 6.2830 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 2.1330 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -0.3470 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -1.5320 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 3.4180 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 0.2880 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 -2.3120 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2190 -2.0400 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3140 -6.4050 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0620 -6.3850 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 -6.4050 2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2790 -6.9310 4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5560 -6.6970 4.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4480 -6.1740 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 3.7700 0.0660 O 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 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 31 1 0 0 0 0 7 8 1 0 0 0 0 7 41 2 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 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 20 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M CHG 1 8 -1 M END