IFLAB-ZINC04159260 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 0.0550 0.9960 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -0.1760 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -0.7860 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -0.2240 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 0.9520 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 1.5590 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -0.9050 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 -1.9550 -1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 -0.2060 -0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -0.7810 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 0.0460 0.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9520 0.2630 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5020 -0.6040 -0.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7120 -1.3330 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4710 0.5820 -0.2510 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2790 0.3530 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5540 1.6220 -0.9560 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6320 1.4750 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1720 1.3320 -0.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8350 3.0310 -0.7470 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0470 3.9540 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5590 5.1750 -0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7480 5.0260 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9270 3.7190 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0210 3.2910 -1.8160 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9490 4.2600 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8820 5.5290 -1.8390 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1860 2.3190 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7670 6.0220 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6490 7.2060 -0.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7960 0.9300 0.9860 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5650 -1.3220 -1.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4840 -1.6340 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 1.4710 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -0.6160 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -1.7010 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 1.4120 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 2.4730 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0410 -1.8130 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9780 -0.7620 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 3.6780 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8250 3.8600 -2.6560 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 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 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 32 33 1 0 0 0 0 M CHG 1 31 -1 M END