MMs01081729 MOE2007 2D CORINA 3.40 0006 02.08.2006 60 63 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 1.5000 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2488 -1.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7488 -1.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7488 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9976 -2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4976 -2.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7464 -3.9005 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.2488 -1.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -2.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2488 -1.3093 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2512 1.2888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7512 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7512 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0024 2.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5024 2.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2512 1.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0000 -0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5000 -0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2512 1.2806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5024 2.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0024 2.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7512 1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5000 -0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5024 2.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9943 2.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3075 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0091 4.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8935 3.9484 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0011 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 1.1806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9009 1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6009 1.0332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5967 -3.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4009 1.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6521 2.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8990 -1.0510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5990 -1.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6033 3.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9033 3.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8720 -0.4258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2073 -1.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2905 -1.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6272 -0.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6304 2.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2951 3.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8751 2.9931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2118 3.7632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7964 1.8405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4042 4.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8848 6.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 10 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 44 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 M END