MMs01852773 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 1.3021 -0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 -2.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6103 -2.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9062 -2.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9001 -0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4982 -0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5043 -2.2236 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0962 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1023 -2.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6943 -0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9842 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6821 2.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3861 1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6760 3.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3739 4.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2802 2.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5822 1.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2924 -0.6919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2984 -2.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0122 -3.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5958 1.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 0.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -1.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 -4.1894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9479 -2.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1912 1.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7893 1.2317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6992 -1.9024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3445 2.1380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9697 5.5839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3323 5.1380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7782 3.5006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9865 0.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6239 0.9676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1780 2.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0985 -2.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3033 -3.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4984 -2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 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 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 34 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END