IBS-ZINC05207214 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -3.6770 2.0020 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 0.6010 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -0.4310 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -1.8440 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8740 -2.0910 -0.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -2.7570 -0.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -4.1540 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -4.8700 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -6.2590 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 -6.9050 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 -6.2280 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -4.8350 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0360 -7.0980 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 -8.2870 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 -8.2130 0.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 -9.3580 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -10.5690 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 -9.5770 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 -12.0950 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8290 -12.5070 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 -12.1960 -1.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7230 -12.5950 -3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4880 2.7250 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 2.3010 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 2.0570 -2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 0.5870 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 0.3450 -1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -0.4250 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -0.1810 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -2.3860 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -4.3520 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -6.7930 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -4.3350 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -9.5900 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -9.0730 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -11.4730 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -10.4310 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 -9.6200 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 -9.6820 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -11.9870 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 -12.8300 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0530 -13.5790 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7670 -11.9430 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 -12.0690 -3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 -12.3320 -3.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8840 -13.6770 -3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 -10.7780 0.2110 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1050 -10.8880 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 47 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 47 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 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END