IFLAB-ZINC04496902 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3790 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0890 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4190 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0310 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6800 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 -0.6510 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 0.0010 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 -1.1190 -0.5570 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0150 -1.1740 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -2.3770 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -1.9860 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -2.7630 0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2200 -0.9280 0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3280 -1.4440 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2440 -2.0680 -1.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6460 -1.2520 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7460 -0.5360 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9780 -0.3600 1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1140 -0.8910 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0220 -1.6010 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7950 -1.7900 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2420 -2.1640 -0.4470 N 0 3 0 0 0 0 0 0 0 0 0 0 14.3260 -2.0030 0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1630 -2.7900 -1.4890 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.1690 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 1.9750 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.7590 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 0.7750 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 0.4290 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 -3.2230 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 -2.6160 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 -0.4310 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -0.1210 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0570 0.1940 2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0770 -0.7500 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7240 -2.3480 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 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 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 35 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END