IBS-ZINC04844108 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 52 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.1790 -0.6610 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -2.1300 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -2.7740 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 -2.1530 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 -2.8760 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1190 -3.2490 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2630 -3.9730 -1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 -4.4210 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 -4.0240 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 -3.2520 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -2.9510 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -2.3060 2.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -3.4610 3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 -3.1920 4.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 -3.6510 6.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9730 -4.3850 5.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4050 -4.6650 4.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -4.2110 3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1240 -4.5150 2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1140 -5.1420 1.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0210 -5.0850 0.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -2.8770 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -2.2130 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -0.7510 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -0.1530 0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 -2.9780 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -2.6220 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -2.6100 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -0.1090 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 -2.9350 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 -4.2160 -2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 -2.6220 5.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4850 -3.4380 7.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5420 -4.7370 6.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3090 -5.2360 4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -3.9570 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -4.0480 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -1.5530 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 -3.1760 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -2.8850 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -2.8630 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 -3.1630 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -1.5400 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 23 2 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 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 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END