IBS-ZINC04044187 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 47 0 0 1 0 0 0 0 0999 V2000 -0.2610 1.1780 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.2020 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -0.8260 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -0.0750 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 1.3280 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.9360 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 2.1090 0.2780 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4850 2.1710 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 1.3540 0.7430 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6160 1.1570 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 2.4120 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9330 3.7280 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.4270 0.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 0.0710 -0.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5310 0.2940 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -0.6750 0.4120 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -1.9010 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 -2.9240 0.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2160 -1.7060 1.3210 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2050 -1.0650 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 -0.8720 0.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9430 -1.8150 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9910 -2.5720 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 -2.1320 0.6330 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4590 -2.3790 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3090 -2.7230 1.4800 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6200 -2.8050 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8850 -4.0630 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1090 -4.1220 0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0940 -0.6840 0.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 1.6670 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -0.7900 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -1.9040 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 3.0130 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 2.3000 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 2.3680 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 4.0750 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1580 4.4910 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 -1.8580 -1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4370 -3.3340 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3680 -5.1910 1.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0670 -6.0270 1.0980 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 16 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 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 41 1 0 0 0 0 41 42 1 0 0 0 0 M END