MMs00166354 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 42 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 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5105 2.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0105 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7448 1.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2447 1.3081 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2387 2.8081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2508 -0.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7447 1.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4895 2.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9895 2.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7447 1.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 0.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0081 -1.0865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3760 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2132 1.0203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1017 1.8268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6780 -1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9740 -0.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 3.7027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8865 3.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7237 1.5959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6122 0.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1885 3.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4845 3.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 -1.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 -1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 3.6397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8853 3.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5853 3.6639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9042 -1.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9104 -2.1380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4531 -2.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0157 -1.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4209 4.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9636 4.7479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5262 3.6724 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 27 39 1 0 0 0 0 M END