IFLAB-ZINC04139295 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.7190 1.1260 -1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -0.2980 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -0.7810 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -2.0970 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -2.9520 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -2.4750 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -1.1530 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -0.6820 -2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -4.3560 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -4.9030 0.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -5.0110 0.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -6.4230 0.8300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1220 -6.9840 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -6.7780 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -6.8940 2.1080 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0960 -7.9640 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -6.2160 3.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -6.8370 4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -5.9210 5.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -4.6240 5.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -4.5190 3.6330 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 -6.8940 3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -6.8290 2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 -7.9150 1.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -7.8610 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -7.9930 0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 1.1610 -2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 1.6940 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 1.6270 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -0.1250 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -2.4140 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -3.1400 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -0.4140 -3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -1.4610 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 0.1830 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -4.5060 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -6.1770 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -7.8360 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -6.5850 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -7.9070 4.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -6.1980 6.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -3.7320 5.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -6.0260 3.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -7.8220 3.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 -6.9030 3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 -5.8790 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 -8.6930 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -6.9310 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -8.9390 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -7.9180 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -6.8770 1.8570 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0230 -5.9740 1.3450 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 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 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 51 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 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 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END