MMs01076772 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 38 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 -1.5000 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2478 1.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4957 2.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7522 1.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7565 3.8959 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.7478 1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4956 2.6056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7522 -1.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2522 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0043 -2.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5043 -2.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2522 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5000 0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7522 -1.2777 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.7547 -2.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7496 0.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2522 -1.2752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 -1.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1017 -1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0939 3.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 1.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9017 -1.0327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7896 1.1915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1269 0.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6252 -1.7001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9625 -2.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4061 -3.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1061 -3.6187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0982 1.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3982 1.0533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8504 -0.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8539 -2.3134 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 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 6 26 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 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 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 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 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 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 M END