IBS-ZINC05348998 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 1.0900 2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.8960 3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 1.8870 3.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 1.5320 2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 1.5420 2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7840 1.9130 3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 2.0010 4.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4700 2.3930 5.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9920 2.6770 6.2470 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 2.2560 4.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 2.2280 4.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7740 2.5520 5.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7480 2.3320 5.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9370 2.9470 7.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2850 3.1120 7.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1900 3.5630 9.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5760 3.7320 9.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2790 4.8750 9.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4980 4.6420 10.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.1790 5.3140 10.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6120 3.3100 10.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4160 2.6810 10.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2490 1.3100 10.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2510 0.5850 11.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4340 1.2000 11.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6170 2.5530 11.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1930 1.7100 3.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 1.1280 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.2390 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 0.0320 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 1.4550 4.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 2.9240 3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 1.2710 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1620 3.1220 7.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8240 3.8620 7.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8170 2.1620 7.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6510 2.8130 9.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6580 4.5130 9.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9330 5.8360 9.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3320 0.8250 10.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1220 -0.4750 11.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2170 0.6140 11.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5420 3.0220 11.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9520 1.4340 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1280 1.7840 3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 0.0440 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 1.5910 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 52 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 12 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END