IBS-ZINC06664667 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3830 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 1.2010 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0190 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4220 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 2.0980 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 1.8320 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 0.7830 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 -0.3520 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6130 -1.5270 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 -0.9450 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8380 0.5090 -0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 1.4310 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9840 1.0790 -0.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 2.7430 -0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 3.7460 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9670 5.1470 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0830 6.1940 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4680 7.5940 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5840 8.6410 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9780 10.0210 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7730 10.1540 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7760 11.1070 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 12.4490 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3030 13.4960 -0.0230 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9950 13.3160 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7070 14.9170 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6160 15.7700 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6530 14.7630 -1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0050 13.4750 -1.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -1.7660 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 3.1780 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 -2.1310 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 -2.1220 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5830 -1.2600 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5660 -1.2510 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 3.0240 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2070 3.6150 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 3.6240 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3420 5.2770 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 5.2690 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7080 6.0630 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6910 6.0720 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8430 7.7250 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8600 7.7160 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2090 8.5110 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1920 8.5200 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7400 11.0010 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5620 12.5790 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5790 12.5710 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6800 14.9280 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7510 15.2790 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0380 16.2020 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1090 16.5530 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8960 14.9910 -2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5540 14.7780 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 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 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 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 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 M END