IFLAB-ZINC02457700 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 0 0 0 0 0 0999 V2000 -0.0700 2.9390 -4.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 1.5420 -5.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 0.7280 -4.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 1.3500 -4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 2.7200 -3.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 3.5450 -4.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 3.0410 -3.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 4.1930 -2.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 1.8470 -2.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 0.7900 -3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -0.4080 -3.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 1.7210 -2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 0.4620 -1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 0.3330 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6760 1.4710 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1830 2.7320 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 2.8500 -1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 1.3170 -0.0460 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4330 2.5880 0.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1100 0.0950 0.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3650 1.1080 -1.2710 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6380 2.2710 -2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9780 2.0660 -2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0180 0.7890 -3.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6780 -0.3840 -2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3470 -0.1800 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 0.7800 -4.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4510 1.7970 -5.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6400 -0.5040 -5.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9730 -0.7900 -6.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2680 -1.9640 -7.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2370 -2.8410 -7.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9320 -2.5580 -5.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6250 -1.3700 -5.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9870 -3.5050 -5.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3770 -3.3030 -4.1120 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8910 3.5520 -5.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 1.0930 -5.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -0.3490 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 4.6200 -4.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -0.4590 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 -0.6580 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7350 3.6330 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6220 3.8580 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8310 2.3620 -2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6890 3.1960 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 2.9060 -3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7950 2.0420 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5980 -1.2870 -3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4960 -0.5220 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1970 -1.0230 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5220 -0.1610 -2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2330 -0.0990 -7.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7540 -2.1950 -8.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4640 -3.7540 -7.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1750 -1.1240 -4.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3920 -4.4230 -6.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 33 2 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 56 1 0 0 0 0 35 36 1 0 0 0 0 35 57 2 0 0 0 0 M CHG 1 36 -1 M END