MMs02777363 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 54 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 -0.7488 -1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2488 -1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9977 -2.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2465 -3.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7465 -3.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0023 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9954 -5.1988 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6957 -5.9477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2951 -4.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7442 -6.4985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9931 -7.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7419 -9.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9907 -10.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7396 -11.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2396 -11.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9907 -10.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2419 -9.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9884 -12.9957 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.2442 -6.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9954 -5.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2465 -3.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4954 -5.2028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2465 -3.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7465 -3.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4954 -5.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9954 -5.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7465 -3.9085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.9977 -2.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4977 -2.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0398 -0.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5991 1.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 0.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8498 -0.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1977 -2.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1456 -4.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2023 -2.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0745 -7.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0731 -8.5674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7907 -10.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1387 -12.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1907 -10.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8428 -8.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0348 -7.6814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3715 -6.9113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0944 -6.2426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1193 -3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4560 -2.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8944 -6.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5944 -6.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5986 -1.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8986 -1.5677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 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 20 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 46 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 26 1 0 0 0 0 25 30 2 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 50 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END