OTAVA-ZINC04641258 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -2.2640 -0.7500 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -2.0180 0.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -2.1500 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -3.3530 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -3.4850 2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -2.4200 2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -1.2190 2.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -1.0800 1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -2.5660 3.9930 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9680 -3.5740 3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 -1.5470 3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 -1.7880 4.5680 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9260 -1.8470 4.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 -1.9290 5.7650 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0090 -2.3210 5.4000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7980 -3.1930 5.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -2.3980 5.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -0.3170 5.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -1.0540 5.8080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -0.9090 5.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 0.1270 5.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -4.6660 5.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -5.3980 5.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -6.7760 5.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -7.4390 5.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -6.7260 5.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -5.3410 5.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -4.6400 5.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 0.0240 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 -0.7800 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -0.5280 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -4.1860 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -4.4220 2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -0.3880 3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -0.1410 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9670 -1.6480 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 -0.5400 3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -2.5040 6.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 -4.8850 5.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -7.3410 5.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -8.5180 5.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -7.2500 5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -4.4350 5.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 28 43 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END