IBS-ZINC05091072 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 1.0220 1.4920 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -0.0310 -0.4800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1530 -0.3140 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -0.5330 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -2.0020 0.8750 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -2.5710 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 -2.0490 -1.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5660 -2.3910 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -0.6190 -1.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -2.5750 -2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -2.4920 2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -1.6400 3.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -2.0750 4.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -3.4440 4.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -4.3090 3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -3.8010 2.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -5.6810 3.6320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -6.5370 2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -7.7940 2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -8.6370 1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -8.2290 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -6.9740 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -6.1320 1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -9.0600 -0.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -8.5750 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 -3.9690 5.7240 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4980 -4.1430 6.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 -4.2270 5.8640 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1650 -1.1760 5.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 1.7740 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 1.8480 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 1.9390 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 -0.2040 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -0.1320 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 -2.2740 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -3.6580 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -3.6650 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -2.2030 -3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 -2.2320 -2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 -6.0480 4.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -8.1110 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -9.6150 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -6.6570 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -5.1560 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -9.3340 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 -8.3530 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -7.6690 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -0.2230 4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -1.5000 6.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END