IBS-ZINC05188659 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.0820 1.2740 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.2500 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -0.6140 -1.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -0.8040 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -2.2680 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -0.7780 -2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -0.6010 -2.3340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -0.7500 -3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -1.0960 -4.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -1.2720 -4.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -1.1010 -3.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -1.6170 -5.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -2.9180 -5.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -3.2860 -6.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -2.2470 -7.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 -0.9660 -7.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -0.5740 -6.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -1.2710 -5.8850 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3630 -0.3220 -6.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -2.3650 -6.1770 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4420 -0.5640 -3.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 1.6750 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 1.6870 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 1.5440 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -0.6640 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -0.6520 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -0.5420 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -0.1660 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 -2.5300 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -2.9070 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 -2.4100 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -2.8560 -4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -3.6800 -5.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -4.2220 -6.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -3.4000 -7.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -0.2240 -7.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -1.0130 -8.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 0.3750 -6.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -0.4750 -5.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 -0.3240 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 -0.6740 -4.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END