MMs01394585 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 -0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2418 -1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4836 -2.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0164 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7582 -1.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7745 -3.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0327 -5.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2745 -3.8829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0327 -5.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5326 -5.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4067 -3.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8361 -4.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8456 -5.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4220 -6.3756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2254 -3.9112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7254 -3.9207 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7348 -2.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7159 -5.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2253 -3.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9835 -2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4835 -2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2253 -3.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4671 -5.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9671 -5.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2089 -6.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7089 -6.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7253 -3.9585 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5934 1.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1065 1.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4417 -1.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9581 -1.2867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 -2.8399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9077 -5.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2485 -6.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0287 -2.8097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8025 -3.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8208 -6.6024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6189 -4.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3901 -1.5928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0900 -1.6098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3606 -6.2693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4507 -7.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0442 -8.8843 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 43 44 1 0 0 0 0 M END