IFLAB-ZINC04139547 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 0.1740 1.5510 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 0.0440 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -0.6740 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -2.0540 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.7220 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -1.9970 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -0.6170 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.7170 -2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -4.1180 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -4.8430 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -5.4460 1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -6.1600 2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -6.2880 3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -5.6830 3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -4.9600 2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -4.3130 1.6960 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1020 -4.3150 2.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -3.7770 0.6100 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5640 -7.0580 4.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -7.1680 5.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 1.8970 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 1.9430 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 1.9010 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -0.1540 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -2.6140 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.0530 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -2.8740 -2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -2.1170 -3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -3.6810 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -4.5820 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -5.3490 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -6.6260 2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -5.7790 3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -7.6410 5.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -8.1360 5.9270 H 0 0 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END