IBS-ZINC05426135 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 0.1980 1.4730 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.0290 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -0.4420 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 -0.4700 0.0910 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5030 -1.5350 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 0.3250 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 1.1460 0.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 -0.3470 -1.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -1.1660 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -2.1240 -2.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -0.7510 -3.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -1.6580 -4.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 -1.1920 -5.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 -1.6490 -6.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4930 -0.9600 -7.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 -1.0890 -8.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -0.0600 -7.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -0.1810 -6.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 0.6470 -6.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 1.5600 -7.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 1.6560 -8.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 0.8470 -8.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 1.7260 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 1.7820 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 2.0700 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -0.5460 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 0.1310 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -1.5070 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -0.2690 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 0.4190 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6840 -0.7770 -3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 0.2880 -3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -1.7050 -4.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 -2.6860 -4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -2.4020 -6.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 0.5830 -6.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 2.2010 -8.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0810 2.3720 -9.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 0.9260 -9.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 0.0480 2.3540 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 40 -1 M END