IBS-ZINC04468452 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 26 0 0 0 0 0 0 0 0999 V2000 0.0030 1.5100 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 0.0640 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.6710 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.1680 2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -1.0550 3.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -2.4390 3.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.9640 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0650 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -2.4550 -0.7430 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -0.7040 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -0.2510 -2.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -1.1520 -3.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -3.5540 4.7680 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -4.7680 4.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -2.8340 5.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -3.7130 5.1990 N 0 5 0 0 0 0 0 0 0 0 0 0 -2.0160 -4.1740 4.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 1.9120 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 1.9310 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 1.8750 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 0.8990 2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -0.6710 4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -4.0350 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -1.9840 -3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -0.7410 -4.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 M CHG 1 16 -1 M END