IFLAB-ZINC05251536 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 0.2530 1.3750 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -0.0060 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -0.6810 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 0.0380 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 1.4180 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.0860 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 2.1840 -1.5410 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9280 1.5960 -2.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 3.4020 -1.5280 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2380 -2.0780 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.7710 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -2.1850 0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -4.2600 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -4.8460 0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -4.9540 0.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -6.4150 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -6.9990 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -8.4050 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -9.2900 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -9.1790 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -8.1020 1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -6.8160 1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 1.8990 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -0.5620 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -0.4840 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1660 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -2.5480 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -4.4850 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -6.8060 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 -6.8920 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -6.4350 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -8.7450 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -8.5120 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -8.9480 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 -10.3270 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -10.1420 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -8.9300 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -8.5090 2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -7.8520 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -6.0070 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -6.9770 2.2940 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END