IFLAB-ZINC05258989 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 1.5440 0.6340 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -0.7870 0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -1.3070 1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -2.8290 1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -3.3860 2.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -5.4180 4.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1280 -4.7310 4.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -6.7550 4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -6.5200 4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -5.3940 4.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -7.5610 4.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -7.3340 4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 -8.2390 4.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 -8.0160 4.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 -6.8910 5.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 -5.9820 5.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -6.2060 5.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -4.8430 6.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2490 -4.1540 6.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -4.5860 4.5820 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -3.1260 6.7780 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8900 -2.3770 6.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2010 -1.2870 7.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2930 -0.0430 6.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 -5.6370 4.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -5.3480 3.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 0.9320 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 0.9500 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 1.1050 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -1.0500 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -0.8770 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -3.0860 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -3.2590 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -3.1290 2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -2.9560 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 -7.4120 3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -7.2210 5.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -8.4680 4.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 -9.1190 3.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 -8.7210 4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7450 -6.7180 5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 -5.5030 5.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -4.5500 7.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 -2.8810 7.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6880 -1.9330 5.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7430 -3.0520 6.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3490 -1.5320 8.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1450 0.2020 5.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5160 0.7380 7.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -4.8470 2.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -5.1130 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 -6.1540 5.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -6.2760 5.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 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 4 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 50 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 50 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 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 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 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 2 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 M END