OTAVA-ZINC05550593 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 -2.0030 1.7660 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 0.2810 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -0.4990 0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -1.8490 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -2.6670 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -4.0380 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -4.5990 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -3.7800 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -2.4090 -0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -5.9900 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -6.7950 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -6.3200 -0.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -8.2860 -0.2470 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6140 -8.6600 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -8.5980 -1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -8.9330 -0.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -8.6190 -1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -9.1690 -1.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -10.0850 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 -10.4540 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -9.8330 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -10.1160 1.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -11.4480 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 -11.8140 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -10.9660 -0.6140 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -12.0060 2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -13.3850 2.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -13.8990 3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -13.0470 4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -11.6770 4.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -11.1520 3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 2.3620 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 2.0420 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 1.9520 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 0.0950 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 0.0050 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -2.2300 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -4.6740 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -4.2160 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 -1.7720 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -6.3730 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -8.2240 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 -9.6770 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 -8.1170 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -7.8920 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 -12.5380 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -14.0510 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -14.9680 3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -13.4540 5.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -11.0180 5.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -10.0820 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 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 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 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 15 1 0 0 0 0 13 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 M END