MMs03128528 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 57 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 2.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5885 1.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3038 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3133 -2.2417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.8828 2.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1866 1.5329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 0.0329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4998 -0.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5093 -2.2088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7941 0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0978 -0.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3921 0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6959 -0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9901 0.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2939 -0.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5881 0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5786 1.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.8919 -0.6431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.1862 0.1151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.4899 -0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.7842 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.7747 1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.0690 2.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.3727 1.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.3822 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.0880 -0.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.0975 -2.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.0595 3.8897 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2753 3.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0354 -0.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0525 2.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 -0.5770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8752 3.4746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1606 -0.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0169 0.9637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5596 0.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3323 -1.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8750 -1.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6149 0.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1576 0.9899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9303 -1.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4730 -1.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2130 0.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7556 1.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5284 -1.5836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0710 -1.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8995 -1.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.4975 -1.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7317 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -24.4081 2.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -24.4252 -0.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -23.1405 -2.7035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2323 4.3516 0.0000 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 51 1 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 52 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 55 1 0 0 0 0 32 56 1 0 0 0 0 M END