IBS-ZINC05345167 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 0.5580 1.0750 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -0.4120 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -1.2430 2.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -2.6050 1.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -3.1440 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -2.2990 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -0.9390 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -4.6010 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -5.5870 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -6.8740 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -6.5820 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -5.2130 -0.6560 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -4.5660 -1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -5.6170 -2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -6.7980 -2.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -7.5440 -1.5800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6370 -8.0030 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -8.6110 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -9.9440 -1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -10.9230 -2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -10.5690 -2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -9.2310 -2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -8.2550 -2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 -11.5310 -2.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -8.0450 1.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -7.9770 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -9.0180 3.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -6.8260 3.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -5.6230 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -4.5930 3.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -6.8730 4.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -9.3510 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 1.3280 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 1.5990 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 1.3740 2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -0.8250 3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -3.2520 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -2.7100 -1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -0.2840 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -3.7520 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -4.1770 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -5.8630 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 -5.2170 -3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -10.2190 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -11.9640 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -8.9530 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -7.2130 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -11.7640 -3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -7.9120 4.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 -6.3570 4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 -6.3860 5.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -9.6160 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -10.1050 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -9.3040 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 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 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 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 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 32 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 M END