IBS-ZINC02242550 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.3290 1.0290 2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -0.1010 1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -0.6910 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -1.9060 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -2.3360 0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -2.5830 0.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -2.1420 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -2.8590 0.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -0.6620 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -0.0950 0.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 1.2400 0.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 1.8630 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 1.1240 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 1.7650 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1720 3.1560 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0090 3.9080 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 3.2780 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 4.0990 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 3.4300 0.4500 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2880 -0.2020 1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 0.1980 2.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 0.8820 3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 1.9800 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 1.1000 2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -3.4930 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 1.9490 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 0.0380 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0140 1.1810 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1280 3.6580 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 4.9950 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6130 5.3640 0.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 31 2 0 0 0 0 20 21 3 0 0 0 0 M CHG 1 19 -1 M END