IBS-ZINC04837360 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 0 0 0 0 0 0999 V2000 -0.1760 1.5040 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -0.0030 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.5940 -1.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -2.0860 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -2.8150 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -4.1920 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -4.8540 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -4.1440 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -2.7530 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -1.9870 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7960 -1.3840 -0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 -0.3400 -0.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -0.6780 -0.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -6.3310 -0.3840 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2490 -6.9600 -0.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -6.9160 -0.4610 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7040 1.8820 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 1.8630 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 1.8570 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -0.2240 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -2.3050 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -4.7560 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -4.6650 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 -2.4980 -0.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 -3.4320 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 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 21 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 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 11 14 2 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END