MMs02882978 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 55 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 1.2928 0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8908 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4888 0.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 0.0640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0868 0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0745 2.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 0.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6848 0.8460 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9899 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1590 -1.3837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6287 -1.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2501 -3.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7431 -3.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6148 -1.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1078 -2.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7291 -3.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8574 -4.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3644 -4.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4927 -5.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9795 -0.8964 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.3680 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8585 -0.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3552 0.7280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6550 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0777 2.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 1.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0343 -0.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6085 -1.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 1.6735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0566 1.6862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8342 -0.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3769 -0.8915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 1.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6546 1.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4322 -0.8829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9748 -0.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7099 1.7162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2526 1.7289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8038 -1.1359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6282 -0.8402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1708 -0.8275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5527 -4.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1177 -0.8804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9235 -3.5980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3545 -5.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9898 -6.8715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4554 2.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4782 3.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4579 1.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2159 3.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6976 3.8112 0.0000 H 0 0 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END