MMs03229569 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 59 0 0 1 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 0.9831 -1.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4558 -0.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4389 -1.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9494 -3.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9116 -1.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4012 -0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8739 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8570 -1.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3674 -2.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8947 -2.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3297 -0.8410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9648 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2387 1.8305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7384 -1.1388 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7384 -2.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4258 -1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2418 -3.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3268 -0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6857 -1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9151 -0.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9426 0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3774 1.2467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7691 2.3810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2367 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3330 -1.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9179 -2.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4066 -2.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3103 -1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7254 -0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9915 -4.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 0.7865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7865 0.9063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 -0.7865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -1.7501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4122 -2.2536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6147 0.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2655 1.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1539 -3.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5031 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4754 1.5337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6489 0.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0159 0.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4790 -0.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9966 -2.5321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5335 -2.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9848 1.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1949 -3.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5013 -1.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4484 0.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8865 -4.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4594 -5.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0965 -3.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0973 -1.7739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2009 -2.9694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 55 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 55 56 1 0 0 0 0 M END