IBS-ZINC05452385 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 0.3140 1.4290 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -0.0340 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.6850 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.0740 2.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -2.1570 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8920 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -4.2350 2.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -5.0220 3.4720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6890 -4.4710 4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -6.3560 3.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -6.1050 2.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -4.9750 2.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -5.2780 4.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -4.8480 3.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -2.8110 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -4.0220 -0.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -2.0300 -1.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.6950 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -0.0490 -2.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 1.8460 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 1.7600 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 1.7700 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -2.3890 3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -4.6820 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -6.8680 2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -6.9780 4.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -2.4450 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -7.1370 2.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -5.9850 5.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -6.1230 5.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 -6.9260 2.1910 H 0 0 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 28 31 1 0 0 0 0 29 30 1 0 0 0 0 M END