MMs02383988 MOE2007 2D CORINA 3.40 0006 02.08.2006 47 49 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 -1.2630 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5953 0.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6646 -1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4016 -2.1876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 -1.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9969 -2.0676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2599 -1.2584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4507 0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0691 -2.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5229 -0.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8552 -1.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1182 -0.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0489 1.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7166 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4536 1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3119 1.9783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6442 1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9073 2.0983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2395 1.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5026 2.2183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.8348 1.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9041 0.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2364 -0.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4994 0.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4301 1.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0979 2.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.8317 -0.5386 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 0.5514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 2.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -2.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0523 -3.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9106 -2.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1840 -0.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6612 3.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3878 1.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2565 3.1770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8518 3.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4471 3.4170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8937 -0.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2918 -1.8573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.4406 2.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0424 3.5370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7135 -0.2093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.7793 -0.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3088 -0.0893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.2984 -0.7367 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 44 2 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 46 2 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 M END