IFLAB-ZINC04248535 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 0.2860 1.3390 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 0.5730 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 0.8460 -1.7920 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 2.0260 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 2.1460 0.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 3.0810 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 3.4790 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 2.8040 -1.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 4.4710 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 3.7910 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 4.7480 0.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 5.2850 2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 4.9750 3.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8180 6.2840 2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7450 7.1200 3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7970 8.2230 3.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 8.1420 2.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 1.3610 1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -0.1440 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 3.3770 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 5.1410 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 5.1050 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4680 3.0510 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 3.2690 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1980 5.0290 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7600 5.7250 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7810 6.9370 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 7.5830 3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8730 6.4780 4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5830 9.0940 4.3980 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 M CHG 1 30 -1 M END