IBS-ZINC03945117 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 0.1340 1.3230 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.0700 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -0.8790 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -0.2530 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 1.1410 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 1.9230 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 3.3910 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 4.0290 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 5.3890 0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 6.2510 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 7.5850 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 7.9010 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 8.5480 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 9.7530 0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 8.0300 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 6.7710 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 5.8520 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -2.3880 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -2.8760 0.0020 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7750 1.9160 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -0.5360 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.8630 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 1.5990 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 3.9290 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 5.7930 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3900 8.7930 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -3.0520 -0.0760 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 M CHG 1 19 -1 M END