MMs00147716 MOE2007 2D CORINA 3.40 0006 02.08.2006 51 55 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 -0.7503 -1.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2503 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0007 -2.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5007 -2.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2503 -1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7503 -1.2973 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1503 -0.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5007 -2.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0007 -2.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7503 -1.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2334 -1.0718 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.3925 -0.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3343 -2.0907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.2222 -3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5740 -4.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6857 -5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4468 -6.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0950 -5.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9822 -4.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5484 -3.9922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6741 0.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7732 1.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6353 2.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0692 2.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0931 0.8482 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -14.2684 3.2490 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7497 1.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0391 -0.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6003 1.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 0.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4009 -3.6367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1009 -3.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0997 1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3997 1.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3731 -3.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7094 -3.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4510 -1.6516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5654 -3.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7670 -6.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5371 -7.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1039 -6.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7325 -4.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1732 1.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2464 3.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3723 0.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7081 1.1838 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 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 16 17 1 0 0 0 0 16 42 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 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 M END