IFLAB-ZINC05250500 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 39 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -0.7760 2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -1.2050 3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -1.5690 4.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -1.4900 4.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -1.0800 4.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -0.7300 2.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -2.0000 5.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -2.3740 6.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -2.8040 7.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -1.8710 8.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 -2.2600 8.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 -3.5880 8.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 -4.5280 8.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -4.1320 7.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 -5.7520 8.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9210 -5.6220 9.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 -4.2220 9.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -1.1640 2.4870 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -0.7570 1.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -1.0300 4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -2.0540 5.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -1.5190 7.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -3.1980 6.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3280 -0.8350 8.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 -1.5290 9.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -4.8600 6.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 -5.9030 10.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -6.2290 9.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 21 22 2 0 0 0 0 M END