OTAVA-ZINC04641258 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 2.4520 2.3680 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 1.2620 1.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 0.2530 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -0.8520 2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -1.8760 3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -1.8020 3.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -0.7020 3.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 0.3220 2.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -2.9210 4.8340 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0730 -3.6700 4.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -3.5640 4.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 -4.6610 5.3070 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1140 -5.6380 4.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -4.5960 6.4810 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0140 -2.3720 6.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -2.4550 7.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -1.8350 8.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -1.7370 9.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 -1.3640 7.9790 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -1.6900 6.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 -1.4100 6.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -3.0980 7.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -2.3320 7.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -2.9380 7.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -4.3040 6.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -5.0740 6.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -4.4790 6.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -5.2340 6.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 2.0170 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 3.1000 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 2.8290 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -0.9100 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -2.7360 3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 -0.6460 4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 1.1790 2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -3.9530 3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 -2.8180 4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 -0.5190 5.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -1.2650 7.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -2.3430 7.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -4.7710 6.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -6.1400 6.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -5.6460 7.6440 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 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 38 1 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