IBS-ZINC01160100 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 0.3960 1.3350 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -0.0420 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -0.6850 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 0.0770 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 1.4520 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 2.0810 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 2.2600 -1.6260 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5780 1.7090 -2.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 3.4760 -1.5570 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2540 -2.1530 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -2.8550 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -2.3350 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -1.1470 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -3.2570 0.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -4.5470 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -5.8800 0.4610 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -4.6130 0.2180 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 -2.8670 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -2.8340 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 -3.9710 -1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 -3.9460 -2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 -2.7800 -3.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -1.6340 -3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 -1.6660 -1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 -0.6310 -4.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 -1.0560 -5.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6380 -2.4930 -4.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 1.8340 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -0.6220 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 -0.4120 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 3.1600 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -2.6720 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -3.5900 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -1.8790 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 -4.8810 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 -4.8350 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -0.7780 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 -0.6930 -4.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -0.7140 -6.0260 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 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 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END