IBS-ZINC05219349 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -2.5020 -0.9580 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -1.0380 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -0.6670 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -0.9070 0.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 -0.7360 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -1.0570 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -1.5700 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -1.7440 -2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -1.4050 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -0.1510 2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -0.8940 3.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 1.3240 2.6100 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3260 2.0440 2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 2.6520 3.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 3.3080 4.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 2.3780 4.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 1.5670 4.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6480 0.6170 4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 2.3080 3.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 1.6410 4.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 2.3200 4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 3.6670 3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 4.3340 3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 3.6550 3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4160 4.3310 3.8650 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 2.8340 6.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 1.7410 7.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 2.2710 8.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 1.2580 9.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 2.1130 1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 0.0460 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 -1.6820 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -1.1790 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -0.3410 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -0.9170 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -1.8260 -2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -2.1380 -2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 0.5900 4.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 1.7980 4.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 5.3850 3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 4.1750 3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 3.7380 6.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 3.0470 6.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 0.8200 6.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 1.5680 6.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 1.3000 8.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 3.0030 8.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 2.5870 9.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 1.2530 9.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 0.2500 9.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 1.5960 10.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 1.7460 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 2.1660 8.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -1.4770 -0.7880 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 54 2 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 17 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 30 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 53 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 53 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 53 1 0 0 0 0 M END