IFLAB-ZINC04850614 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 0.0660 1.2510 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0050 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -0.5660 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 0.1270 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 1.3640 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 1.9390 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 3.3020 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 3.4520 -1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 3.2560 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 1.9330 0.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 1.1210 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 1.3370 0.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 -0.1220 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -0.7100 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -2.0540 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -2.6580 -0.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -2.7980 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 -2.1940 -0.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 -4.1420 -0.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -4.8730 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -6.3720 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -7.1350 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5160 -8.5710 -0.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 -9.4800 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 -10.7420 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -10.6890 -1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 -9.2250 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3970 -8.7160 -3.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 1.6750 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -1.5380 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 3.4180 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 4.0680 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 2.7110 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 4.4480 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9170 3.3060 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 4.0330 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 -0.2320 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 -1.0070 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -0.2330 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -4.6250 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -4.6830 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 -4.5390 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -6.5620 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -6.7060 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 -6.9450 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3300 -6.8010 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -9.0220 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 -9.7350 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -10.6760 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 -11.6430 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -11.0390 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 -11.2820 -1.8350 H 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 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 27 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 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 27 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 M END