MMs01375819 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 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 0.2571 -1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2217 -2.4681 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1825 -3.0681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4466 -2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6949 -2.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -2.8307 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2427 -4.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1327 -5.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1025 -3.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6946 -3.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0221 -2.9330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3238 -1.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7204 -4.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3496 -2.2347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6182 -3.0352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6182 -1.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5591 -4.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8277 -5.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1552 -4.6363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9457 -2.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2142 -3.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5418 -2.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6008 -0.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3323 -0.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0047 -0.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3913 1.3591 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2357 -1.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 0.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2057 1.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5911 -0.1028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6523 -1.1193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9962 -0.9520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1936 -1.0575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 -2.9697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0906 -3.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 -5.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8876 -4.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4291 -4.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 -1.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3865 -4.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1047 -5.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1906 -3.7370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5566 -3.0796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6628 -0.3817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9899 -0.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2944 -1.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4299 -1.7422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1182 -2.8189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7686 -6.8334 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M CHG 1 50 -1 M END