IBS-ZINC04285064 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 32 0 0 1 0 0 0 0 0999 V2000 -0.1830 1.1920 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -0.1390 0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -0.9410 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -0.5730 1.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -2.2690 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0990 -3.0510 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -4.2870 -0.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -5.1190 -0.1590 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4600 -4.4930 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 -5.9970 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -5.3400 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 -4.4680 2.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -6.0770 -1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 -6.3680 -1.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -2.7270 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -3.8600 -1.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -1.7790 -1.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -0.4880 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 0.3070 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -2.1560 -2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 1.3690 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 1.9300 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 1.3300 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -2.7190 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -4.7130 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -6.3560 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 -6.8910 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 -3.1940 -2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -2.0060 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -1.4980 -3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -5.7900 3.3960 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9000 -6.4420 -1.6470 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 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 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 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 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 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 20 1 0 0 0 0 18 19 2 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 M CHG 1 31 -1 M CHG 1 32 -1 M END