IBS-ZINC05156767 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -0.6060 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 0.1600 -2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.4540 -3.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.8360 -3.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -2.6130 -2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -2.0050 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -2.8290 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -2.2960 0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -4.1730 -0.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -4.9470 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -4.3420 1.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -5.0440 2.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -6.4420 2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -7.0440 1.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -6.2670 0.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -8.5380 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -9.2360 2.4240 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8090 -9.0060 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -8.7470 3.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -7.2670 3.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -6.7820 4.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -10.7260 2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -11.5590 1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -12.9250 1.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -13.4600 2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -12.6250 2.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -11.2590 2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -14.7950 2.2740 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 1.2380 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 0.1460 -3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -2.3080 -4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -3.6900 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -4.5990 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -4.5500 3.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -8.8190 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -8.8570 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -9.2860 4.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -8.9040 4.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -11.1410 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -13.5750 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -13.0420 3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -10.6070 3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 M END