IBS-ZINC05452386 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 0.6600 1.0090 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -0.1780 -0.2710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.7190 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -0.2220 1.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -1.9270 1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -2.5790 2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -2.3010 3.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -3.0670 4.7390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1940 -4.1280 4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -2.4780 5.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -2.9810 5.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -4.1510 5.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -2.9380 5.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -1.7720 5.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -2.4680 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 -3.4480 0.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 -1.7930 -0.8840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -0.6890 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -0.2210 -2.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 0.7640 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 1.3960 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 1.7860 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -3.4680 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -1.4700 3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -2.7270 6.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -1.3820 5.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -2.1600 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -2.1680 6.4180 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4490 -4.0190 5.5430 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 M CHG 1 28 -1 M CHG 1 29 -1 M END