MMs01076164 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 51 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 1.3011 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3052 -2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 -2.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9032 -2.2394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8991 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4972 -0.7323 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7508 -2.0334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 0.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7983 -1.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0953 -0.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3964 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4004 -2.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1034 -3.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8024 -2.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7015 -3.7181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9985 -2.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9944 -1.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2996 -3.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3037 -5.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6047 -5.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9017 -5.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8976 -3.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5966 -2.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1946 -2.9505 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.2028 -5.9504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2069 -7.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6103 -4.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5972 1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 0.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 -1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 -2.8493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1929 1.2141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0920 0.4748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4339 -0.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1067 -4.9252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7648 -3.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7048 -4.9181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2661 -5.8139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6080 -7.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5933 -1.7575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0069 -7.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2102 -8.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4069 -7.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -4.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6136 -5.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8103 -4.4896 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 30 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 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 27 1 0 0 0 0 26 43 1 0 0 0 0 28 29 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 M END