IBS-ZINC04870917 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 0.8320 -1.6970 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -1.2100 -1.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -1.6230 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -1.1860 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -1.6030 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -2.4680 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -2.9060 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -2.4880 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -2.9160 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6640 -4.2310 0.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4280 -1.9920 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7940 -2.2620 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5150 -0.9650 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7140 -0.8440 0.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6450 0.0550 0.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2940 -0.4870 0.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8730 -0.1490 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 -0.0490 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7560 -0.3710 2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 0.0300 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 0.7550 3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 1.0790 2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 0.6720 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 0.9830 -0.2420 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.9910 1.4770 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9060 1.9600 1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8590 2.6000 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2040 2.8660 3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4410 2.3730 3.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8640 1.8310 2.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3030 -3.3680 0.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -1.2910 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -1.3860 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -2.7860 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -0.5180 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 -1.2620 -2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 -3.5730 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -2.8270 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6550 -0.9370 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 -0.2220 4.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 1.0680 4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 1.6450 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2960 2.0440 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0060 1.6190 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9320 2.8600 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5920 3.3680 4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0020 2.4110 4.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5850 -4.4280 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 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 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 31 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 25 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 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 M END