MMs01475678 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 56 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 1.4928 -0.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -1.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 -1.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2244 -3.0256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -4.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0182 -4.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 -6.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 -7.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0407 -6.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4945 -5.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8607 -4.8182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6937 -3.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8016 -2.3162 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2313 -2.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3392 -1.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0174 -0.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7689 -2.2127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8768 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3065 -1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6283 -3.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0580 -3.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1659 -2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8440 -1.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4143 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9519 -0.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6301 1.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5956 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9174 -4.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1173 1.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1943 0.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1173 -1.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9499 -1.8110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -2.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 -0.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7674 -1.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2092 -3.7652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3923 -6.3387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2126 -8.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 -7.7536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6751 -3.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1819 -3.5024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 -3.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9261 -0.4691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4329 -0.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7420 -3.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3154 -4.7462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1569 0.5281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8021 1.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3726 2.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4580 1.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7453 -4.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1748 -5.6538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0894 -4.2243 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 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 13 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 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END