IFLAB-ZINC04483021 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -0.0860 1.5600 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 0.0550 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.6860 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -2.0670 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -2.7070 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -1.9660 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -0.5850 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -4.4680 -0.2060 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -4.8100 -1.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -4.9160 0.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -4.9740 -0.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -5.1510 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -6.5460 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 -6.6530 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -5.2630 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 -7.9680 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4980 -7.9910 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5280 -7.0550 1.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3050 -9.0520 1.2790 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1790 -9.0750 2.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0150 -10.0610 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9340 -11.2270 1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8120 -12.2710 1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3510 -13.1560 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2270 -12.6200 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9810 -11.4530 0.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3890 -13.2280 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 1.9330 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 1.9560 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.8810 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.1860 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.6460 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -2.4670 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -0.0070 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1890 -4.3930 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -5.0620 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 -6.6530 -2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -7.3030 -1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -7.4080 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 -6.8390 1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -5.2480 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 -4.5160 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8720 -8.8120 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 -8.0370 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2810 -9.8010 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7690 -10.0210 3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6910 -12.3930 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8100 -14.0900 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7490 -12.8780 -1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3490 -12.9300 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4640 -14.3140 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 -6.7140 -0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 52 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 52 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 45 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END