IBS-ZINC04089391 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 1 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 0.5120 -0.3560 -0.8950 H 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 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0410 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -2.6560 0.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -0.0610 1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 1.1530 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 1.8540 0.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 1.6390 2.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 1.6810 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 3.0350 2.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 3.5290 3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8350 2.5670 3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 2.5260 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 1.1710 4.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5470 0.6770 2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5510 3.0610 5.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7130 2.2080 5.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4990 2.4560 6.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2460 3.3840 7.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6940 1.5790 6.6900 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.3780 1.6220 5.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2310 0.1360 6.8990 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 0.2320 -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 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -0.6220 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 3.7200 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 2.9940 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 3.5700 4.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 4.5240 3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 1.2130 4.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 0.4860 4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 0.6360 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -0.3170 2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8670 3.0180 5.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8820 4.0890 4.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9160 1.4660 4.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5460 0.0940 7.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0950 -0.4980 7.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7200 -0.2150 6.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6410 3.0240 7.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -2.6980 -1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3820 2.0530 7.8990 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1870 1.4810 8.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -3.6640 -0.9720 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 4 1 0 0 0 0 2 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 49 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 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 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 48 50 1 0 0 0 0 49 52 1 0 0 0 0 50 51 1 0 0 0 0 M END