MMs03082412 MOE2007 2D CORINA 3.40 0006 02.08.2006 85 88 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 0.7466 1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2466 1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9933 2.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2399 3.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7399 3.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5067 2.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 -1.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2533 -1.2855 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8533 -0.2463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5067 -2.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 -3.8836 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 -5.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0134 -5.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2668 -6.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 -7.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5201 -7.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -6.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7533 -1.2816 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4427 -2.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7533 -1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2533 -1.2700 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6533 -2.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0067 -2.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5067 -2.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2533 -1.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 0.0310 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6000 1.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2466 1.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 1.3242 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3466 2.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9933 2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4933 2.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7399 3.9223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9866 5.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2332 6.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2837 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6895 4.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5067 -2.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0408 0.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 -1.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0408 -0.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 2.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 4.9437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1373 4.9367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1094 3.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0973 1.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5854 -1.8175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5894 -3.3602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4107 -4.1507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0668 -6.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4228 -8.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1228 -8.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -6.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 0.4269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7053 1.2017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9647 -2.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6268 -1.6872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8801 -2.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2181 -3.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3013 -3.7455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6353 -2.9707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1745 -2.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1706 -0.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6265 0.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2885 1.2161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3732 1.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0352 2.5093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9399 3.9254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7521 6.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6305 7.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7144 6.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8863 4.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3213 6.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9823 6.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3881 4.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6518 3.8633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2921 3.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7067 -2.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 48 1 0 0 0 0 5 6 2 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 8 51 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 52 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 14 15 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 56 1 0 0 0 0 19 20 2 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 85 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 85 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 66 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