IBS-ZINC05279775 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.7610 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 0.3690 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -0.3680 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 0.2780 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 1.6820 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 2.4180 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 -0.5540 0.1260 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3530 -1.5780 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 -0.5690 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 -1.7120 1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -2.8690 1.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 0.0020 -0.8900 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 -0.1790 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8470 -2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -1.0540 -4.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 -0.5980 -5.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 0.0560 -4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 0.2600 -3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 0.9490 -2.6140 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7050 0.8420 -3.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5320 1.6200 -1.5770 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2290 -0.8340 -6.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 -0.8230 -7.0570 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 0.1050 -7.3080 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -2.0350 -6.9500 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 2.3350 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -0.1430 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -1.4540 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 2.2090 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 3.5030 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 0.3840 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 -0.7580 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 0.5820 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -1.2220 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -1.5770 -4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2070 0.4080 -5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5440 -1.3600 1.4560 O 0 5 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 26 1 0 0 0 0 2 3 2 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 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 37 -1 M END