IBS-ZINC02090630 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.4960 1.3700 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -0.1090 0.0550 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9840 -0.3160 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 0.2020 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -0.4340 -0.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -0.1520 -1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -0.6770 -1.3070 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4990 -1.7670 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -1.0990 -3.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -0.0870 -4.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 1.1240 -4.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -0.8620 0.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 2.0110 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 1.4990 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 1.7440 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 0.1530 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -1.3910 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 1.2890 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 -0.0370 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 0.9260 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -0.6490 -2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -1.4090 -4.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -1.9920 -3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -0.4150 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -0.4090 -2.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 0.5950 -2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -0.5960 -5.6300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 12 24 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 27 -1 M END