IBS-ZINC00545711 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8100 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -2.3270 -2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -3.6940 -2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -4.5480 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -4.0360 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -2.6690 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -6.0400 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -6.5110 -1.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -7.8200 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -8.9330 -2.0360 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 -8.2530 -0.6920 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 -7.3420 -0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 -7.7590 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6650 -6.8000 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 -7.2380 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6650 -6.2980 2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2800 -4.9690 2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1540 -4.5860 1.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3510 -5.4400 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -1.6600 -3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -4.0970 -3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -4.7040 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -2.2690 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -6.5310 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -6.2770 -2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 -5.8800 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 -9.1950 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 -8.8080 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1320 -8.2820 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5900 -6.5980 2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9110 -4.2340 2.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 -5.0870 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 40 1 0 0 0 0 M END