OTAVA-ZINC06143538 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 1 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 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8110 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -2.6720 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -4.0220 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -4.5750 -1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -3.7050 -2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -2.3260 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -4.6660 -3.8970 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -6.1470 -3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -5.8730 -1.9700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -7.4240 -3.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -8.6490 -2.8180 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1550 -8.6790 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -9.8250 -3.6750 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8450 -9.1660 -4.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -7.6970 -4.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -6.8570 -5.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 -9.7220 -5.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 -10.6540 -2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 -10.1530 -2.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -12.0710 -3.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 -12.8440 -2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 -14.1710 -2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -14.7390 -3.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -13.9810 -4.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 -12.6540 -4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -8.7120 -2.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -9.2020 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -9.2590 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -8.8270 -2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -8.3370 -3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -8.2740 -3.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -8.9000 -2.2380 Cl 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 -0.2480 -2.2660 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -4.6750 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -1.6590 -3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -10.4400 -3.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 -12.4020 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 -14.7690 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 -15.7780 -4.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -14.4310 -5.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -12.0650 -4.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -9.5390 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -9.6420 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 -7.9990 -4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -7.8880 -4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 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 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 M END