IFLAB-ZINC04031755 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 0.3060 -2.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -1.8070 -1.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -2.2020 -2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 -3.7290 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -4.2650 -2.8850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -4.4390 -4.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -4.1510 -5.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 -4.9750 -4.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -5.1680 -5.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -5.6760 -5.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 -5.9990 -4.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -5.8170 -3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -5.3010 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -5.1060 -1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -5.4280 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 -5.9350 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 -6.1350 -2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6960 -6.6410 -2.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7850 -7.9710 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2030 -8.5180 -1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1400 -7.5950 -1.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0820 -6.2900 -1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6720 -5.7200 -1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -4.5710 -1.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.4000 -0.6780 O 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 0.5290 -0.3650 0.8850 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 0.9990 -1.8150 -3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -1.7990 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -4.0260 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -4.1220 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -4.9230 -6.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 -5.8210 -6.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 -6.3930 -4.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -5.2820 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3950 -6.1810 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0720 -8.6430 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 -7.8920 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4110 -8.6480 -2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2900 -9.4790 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3150 -6.3540 -2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8040 -5.6390 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4590 -5.6060 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6070 -4.7490 -2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 M END