IBS-ZINC00543763 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 -0.9300 1.9850 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 0.5370 -0.0950 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0190 0.3880 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 0.2210 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 0.1190 2.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -0.8040 2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -0.4610 1.2590 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6360 0.5040 1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 -0.3920 -0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 -1.5200 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 0.8690 3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 1.7100 3.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 0.6160 4.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -0.1770 4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 1.3790 5.8110 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3320 1.7100 5.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 2.5550 5.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 3.7230 4.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 4.7290 5.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 4.4380 5.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 0.4810 7.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -0.5440 6.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 2.6760 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 2.1480 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 2.2490 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -0.7620 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 0.9550 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -1.8080 2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -0.7950 3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -1.6110 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -1.2680 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -2.4980 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 2.1710 5.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 2.9570 7.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 3.3460 3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 5.1550 6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 5.5530 4.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 4.2500 5.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 3.7760 4.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 5.2900 4.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 4.8160 6.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 0.8720 8.1340 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 9 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 M CHG 1 42 -1 M END