IBS-ZINC04993318 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -0.1010 -1.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 -0.4620 -2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -1.1860 -3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -1.5530 -4.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 -1.2020 -4.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 -0.4730 -3.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -0.1030 -2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 0.6870 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2180 -0.2550 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -0.6900 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -1.5300 1.8990 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 -1.9530 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 -1.5550 1.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -0.7040 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 -0.3120 -0.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2850 -2.8080 2.9700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -0.3050 0.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -1.5960 -5.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 -1.2900 -5.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 -2.3800 -6.6790 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 0.5290 -0.3650 0.8850 H 0 0 0 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 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.5840 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.0640 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -1.4580 -3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -2.1150 -5.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 -0.1990 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 1.2430 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 1.3830 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -0.6860 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -3.0970 3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -3.1260 3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7600 -1.8790 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -1.6920 -7.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 -3.0160 -7.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 -3.0000 -6.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 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 36 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 1 0 0 0 0 14 21 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END