IBS-ZINC05450754 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 1 0 0 0 0 0999 V2000 0.4910 -1.1710 -1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.6730 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 0.8170 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -0.8940 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -2.3600 0.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5240 -2.9200 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -2.2830 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -2.4850 1.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -3.0590 1.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -3.7340 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -3.8700 0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -4.2540 2.4610 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -5.0010 2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -5.4320 4.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -6.6870 4.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -7.0610 5.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -6.1820 6.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -4.9280 6.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -4.5530 5.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -0.9550 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -2.2520 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -0.6850 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -1.2020 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 0.9910 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 1.4140 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 1.1880 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -0.4150 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -0.3500 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -3.0290 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -4.1080 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -5.8680 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -4.3770 2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -7.3750 3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -8.0360 6.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -6.4710 7.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -4.2410 7.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -3.5650 4.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 -2.0440 -0.8620 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 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 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 M CHG 1 38 -1 M END