IBS-ZINC04140848 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 1 0 0 0 0 0999 V2000 -0.1390 1.4010 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 0.0320 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -0.5990 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 0.1500 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 1.5320 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 2.1500 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 2.0340 -0.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6570 2.7460 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 0.8700 -0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -0.2220 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -1.3510 -0.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 2.6680 1.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9850 3.7480 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 4.1390 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3900 5.2070 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 5.8860 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2180 5.5010 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 4.4360 2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 4.0600 3.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6800 7.0280 0.9050 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1420 7.3680 -0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9900 7.6280 1.9190 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0740 1.8880 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -0.5460 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -1.6680 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 3.2190 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 2.3380 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 3.6100 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 5.5100 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 6.0340 3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 3.4000 3.9390 H 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END