IBS-ZINC05027020 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 0.0200 1.5680 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 0.0610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -0.6140 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -1.9970 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.7080 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -2.0390 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.6500 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 0.0320 -2.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 0.3510 -2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 0.0540 -2.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 1.0680 -4.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 1.4280 -4.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 2.2860 -6.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 1.0110 -4.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 1.2960 -5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 0.7190 -4.3080 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8550 -0.3420 -4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3250 0.9320 -5.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3710 1.2390 -3.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5660 1.1750 -2.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 1.4370 -3.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 1.3860 -4.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 1.9770 -5.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 1.0040 -4.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 0.3580 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 0.0460 -2.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 1.9330 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.9180 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 1.9420 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.0620 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.5230 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -3.7880 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.5940 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 1.7400 -6.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 2.5380 -6.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 3.2010 -5.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 0.5230 -3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 2.3750 -5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 0.8410 -6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2290 1.7750 -5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5960 0.0270 -5.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7920 2.2340 -4.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1590 0.4860 -4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9160 1.9380 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6480 0.1850 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 1.2050 -4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 25 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 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 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 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 M END