IBS-ZINC05269869 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 0.6240 -0.1830 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -0.6200 -0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 -0.3970 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 0.8160 -1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 1.0990 -3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 0.1770 -3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -1.0260 -3.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -1.3180 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -2.6540 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 -2.6320 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -2.0380 0.3420 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8670 -2.1380 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -2.7730 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -1.7780 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -0.8070 1.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -4.0350 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -4.5070 1.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 0.4790 -4.9660 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6100 1.5410 -5.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 -0.3340 -5.4750 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6410 0.2110 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 0.3560 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -1.2420 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 1.0590 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -0.4830 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 1.5380 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 2.0400 -3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 -1.7440 -3.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 -2.8570 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -3.4350 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -2.3390 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -3.8270 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -2.6760 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9250 -2.0960 1.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 -4.7600 0.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -5.6550 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 -1.5180 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END