IBS-ZINC04029863 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 1 0 0 0 0 0999 V2000 0.0070 1.6220 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 0.1310 -0.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9100 -0.2440 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.7090 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -1.9140 -0.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -0.1270 1.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -1.0940 2.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0050 -2.0310 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -1.2760 3.1760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9230 -2.2650 3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -0.2640 2.8040 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 0.3980 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 1.2630 1.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -1.0440 4.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -0.6250 4.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -0.3200 5.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.6360 3.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.2620 2.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -1.2170 5.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 2.0560 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 1.7970 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 2.1710 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 -0.0370 3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -1.0610 1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -0.1020 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 0.6670 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.5260 5.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -1.0150 6.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -2.2470 5.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -0.1270 -2.3330 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 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 19 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 18 24 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 M CHG 1 30 -1 M END