MMs01676979 MOE2007 2D CORINA 3.40 0006 02.08.2006 30 32 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 -0.7515 1.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2515 1.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2566 2.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6262 1.7982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6661 2.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4676 0.3066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2485 -1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7485 -1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5031 -2.5963 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5049 -4.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 -1.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0031 -2.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7515 -1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2515 -1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0031 -2.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2546 -3.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7546 -3.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0062 -5.1926 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5031 -2.5892 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1528 2.3381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0085 3.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8472 -2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5957 -3.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1503 -0.2561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8503 -0.2529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 -4.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 10 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 27 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 20 2 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 M END