MMs01078274 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 56 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 1.3030 -0.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3108 -2.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6138 -2.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6216 -4.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3266 -5.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0236 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0157 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2872 -2.2568 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3344 -6.7431 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.9089 -2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 -0.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2118 -2.9727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5069 -2.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8099 -2.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1049 -2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0971 -0.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6951 -0.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 0.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9823 1.5681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6794 2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3843 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2774 2.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2696 3.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5804 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9475 2.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9570 1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2138 -0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7450 0.0908 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5945 1.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0424 0.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 -1.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -5.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -5.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -4.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8161 -4.1591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1473 -2.7968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7878 1.2409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4567 -0.1214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9286 -1.6120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4713 -1.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4065 -1.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1709 0.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4459 3.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9032 3.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2036 1.3399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9680 2.6799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1908 3.3741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1498 1.2213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7077 -1.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 11 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 10 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 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 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 M END