MMs01495044 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 54 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 -0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 -1.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 -1.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4854 -2.6232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9853 -2.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7426 -1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2426 -1.3452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9853 -2.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4853 -2.6569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2280 -3.9433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8222 -4.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7281 -3.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9708 -5.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 -0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2571 1.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 -3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4708 -5.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2281 -3.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4709 -5.2045 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0291 -5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7864 -6.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 -6.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0291 -5.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2718 -3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7718 -3.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 -5.1709 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2982 1.1745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6299 0.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1128 -1.7157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3436 -1.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 -0.1371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8726 -0.9159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8745 0.3663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2149 1.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2848 -1.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6251 -0.4756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2930 0.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8629 2.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2212 1.8418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6057 1.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7999 -0.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -3.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1028 -3.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1922 -7.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8922 -7.5183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -2.8419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -2.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 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 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 M END