IFLAB-ZINC04517776 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.5900 2.2140 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 0.9920 -0.1650 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 1.7330 0.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 0.1330 0.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -0.0260 -1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -0.3200 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 -1.0940 -2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -1.5830 -3.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -1.2980 -3.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.5180 -2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -0.2630 -2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -0.7400 -1.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 0.5560 -3.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 1.0960 -3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 1.9730 -4.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 2.6160 -5.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 2.3680 -4.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1980 1.4810 -3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 0.8450 -2.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8460 3.2810 -4.5360 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.4910 3.1970 -3.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 4.6090 -4.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6080 2.5200 -5.7040 N 0 5 0 0 0 0 0 0 0 0 0 0 -7.8460 1.6190 -5.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 2.6240 -1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 1.7900 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 3.0130 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 0.0460 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 -1.3180 -2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 -2.1920 -4.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -1.6980 -4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 0.8200 -4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 2.1900 -5.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 3.3180 -5.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0400 1.2960 -2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 0.1710 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 23 -1 M END