IBS-ZINC04994957 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 0.3790 1.2730 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -0.0950 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -0.6360 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 0.1900 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 1.5590 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 2.1090 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 3.5800 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 4.4070 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 5.6450 0.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 5.6510 -0.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 6.4330 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.3850 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 3.9380 -2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 5.0480 -3.1860 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 3.3250 -3.0500 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 3.0280 -2.3490 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 3.9550 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 2.8540 3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 2.4350 4.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 3.1050 4.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 4.2040 4.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 4.6280 3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 5.6990 2.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 4.8600 4.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 2.6870 6.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -2.1030 -0.2960 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0370 -2.8320 -0.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -2.5820 -0.2420 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6140 1.6940 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -0.7440 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -0.2380 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 2.2030 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 2.3300 2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 1.5820 4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 6.5460 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 4.5150 4.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 2.0310 6.0410 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 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 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END