IFLAB-ZINC05148058 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 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 3 0 0 0 0 0 0 0 0 0 0.4320 -0.3560 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -0.4990 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -1.4130 1.9540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -2.0620 1.8550 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -1.4970 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -0.5100 0.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -0.1630 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5270 -0.9760 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 -1.7560 0.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8230 -0.8580 -0.4980 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0420 0.0590 -1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 0.1790 -1.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 0.8410 -1.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 0.7770 -1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 1.4950 -2.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 1.8010 -3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9100 -1.6920 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -3.2850 2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -4.4850 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -4.3330 0.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -5.7220 2.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -6.8300 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 0.1290 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 1.9030 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 1.8880 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.8770 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4860 1.7250 -3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1940 2.8110 -2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 1.5820 -3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3810 -1.1890 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6490 -1.8560 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5070 -2.6510 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -3.2790 3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -3.3340 2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -6.8030 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -6.7480 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -7.7700 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 0.9880 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -0.6010 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 0.4550 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 19 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 18 1 0 0 0 0 16 17 2 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END