IBS-ZINC05055103 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -1.3230 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -1.7950 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 -1.4540 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3830 -1.8380 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8950 -1.3180 1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2310 -1.6120 1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 -2.3730 0.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 -2.8500 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1880 -2.6010 -0.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7860 -1.1150 2.9820 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1760 -1.4280 3.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5380 -0.7610 4.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3890 -0.2660 6.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8600 -0.5810 6.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0050 -1.9840 6.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5690 -2.8010 5.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0950 -2.5090 5.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 -0.3600 2.3120 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -0.6500 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 -0.2230 1.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -2.6350 -2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -2.9830 -2.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -1.8120 -2.2790 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0370 -3.4660 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2550 -0.5600 3.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8360 -1.0560 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2940 -2.5080 3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8780 -1.1330 5.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4200 0.3190 4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2820 0.7920 5.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7890 -0.5030 7.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1870 -0.0260 7.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4660 -0.2930 5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6860 -3.8520 5.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1670 -2.5780 4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4910 -2.7820 6.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7740 -3.0880 4.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 -3.5440 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 -2.0650 -2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -3.9330 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -3.0040 -3.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -1.0180 -3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -2.1620 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9310 -1.0750 4.9940 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 24 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 23 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 55 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 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 M END