MMs01458721 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 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 -0.1413 -1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5053 -2.1176 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5549 -3.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3049 -4.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8984 -2.5221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6791 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7507 0.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -0.7882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2277 -3.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4941 -2.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4312 -0.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8235 -3.1078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8739 -4.3067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0899 -2.3039 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.0899 -3.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0269 -0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2934 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6227 -0.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6857 -2.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4193 -2.9987 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.4585 -3.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4823 -4.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3137 -3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5071 -4.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6844 -5.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0693 -4.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2627 -3.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 -2.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 -5.7624 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1947 -0.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1131 1.1947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1947 0.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4567 -1.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -2.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6664 0.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 -4.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0370 -4.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8550 -1.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5695 0.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4841 0.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0254 0.9495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9855 0.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8122 -0.8547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8577 -1.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1431 -3.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6812 -4.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5327 -5.6963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2834 -4.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -4.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5297 -6.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3706 -2.9027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1485 -1.8575 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 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 24 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 10 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 M END