TITLE Title Card REMARK 1 File created by GaussView 6.0.16 HETATM 1 Ru 0 1.633 -1.914 -0.549 Ru HETATM 2 C 0 7.932 4.271 -0.019 C HETATM 3 H 0 8.849 4.089 -0.602 H HETATM 4 H 0 8.159 4.047 1.037 H HETATM 5 H 0 7.677 5.339 -0.094 H HETATM 6 C 0 6.789 3.390 -0.513 C HETATM 7 C 0 5.499 3.937 -0.764 C HETATM 8 H 0 5.325 5.004 -0.612 H HETATM 9 C 0 4.433 3.117 -1.212 C HETATM 10 H 0 3.444 3.531 -1.406 H HETATM 11 C 0 4.699 1.746 -1.400 C HETATM 12 C 0 5.957 1.154 -1.159 C HETATM 13 H 0 6.115 0.092 -1.336 H HETATM 14 C 0 7.004 1.993 -0.714 C HETATM 15 H 0 7.992 1.567 -0.531 H HETATM 16 S 0 3.310 0.635 -1.934 S HETATM 17 O 0 4.005 -0.579 -2.859 O HETATM 18 O 0 2.256 1.592 -2.804 O HETATM 19 N 0 2.776 -0.201 -0.411 N HETATM 20 H 0 1.220 0.626 2.468 H HETATM 21 N 0 0.808 -1.151 1.314 N HETATM 22 C 0 4.249 -3.319 2.590 C HETATM 23 H 0 4.691 -3.061 3.552 H HETATM 24 C 0 3.389 -4.455 2.516 C HETATM 25 H 0 3.195 -5.036 3.421 H HETATM 26 C 0 2.783 -4.838 1.302 C HETATM 27 C 0 3.085 -4.075 0.127 C HETATM 28 H 0 2.751 -4.435 -0.846 H HETATM 29 C 0 3.952 -2.955 0.197 C HETATM 30 H 0 4.281 -2.465 -0.719 H HETATM 31 C 0 4.540 -2.552 1.441 C HETATM 32 C 0 5.512 -1.365 1.439 C HETATM 33 H 0 5.011 -0.548 0.893 H HETATM 34 C 0 5.883 -0.863 2.855 C HETATM 35 H 0 4.993 -0.540 3.423 H HETATM 36 H 0 6.578 -0.009 2.778 H HETATM 37 H 0 6.401 -1.644 3.437 H HETATM 38 C 0 6.812 -1.746 0.670 C HETATM 39 H 0 7.348 -2.553 1.198 H HETATM 40 H 0 7.486 -0.875 0.600 H HETATM 41 H 0 6.594 -2.097 -0.353 H HETATM 42 C 0 1.824 -6.022 1.238 C HETATM 43 H 0 2.107 -6.807 1.957 H HETATM 44 H 0 1.800 -6.466 0.230 H HETATM 45 H 0 0.797 -5.702 1.489 H HETATM 46 C 0 2.073 0.809 0.461 C HETATM 47 H 0 1.168 1.217 -0.019 H HETATM 48 H 0 2.745 1.634 0.733 H HETATM 49 C 0 1.716 -0.005 1.712 C HETATM 50 H 0 2.635 -0.425 2.145 H HETATM 51 H 0 0.258 -3.337 -0.319 H HETATM 52 O 0 0.283 -0.852 -1.655 O HETATM 53 C 0 -0.949 -1.218 -1.926 C HETATM 54 N 0 -1.747 -0.261 -2.459 N HETATM 55 H 0 -1.391 0.698 -2.381 H HETATM 56 H 0 -2.747 -0.391 -2.678 H HETATM 57 C 0 -1.403 -2.574 -1.592 C HETATM 58 C 0 -2.765 -2.807 -1.526 C HETATM 59 C 0 -0.384 -3.652 -1.209 C HETATM 60 N 0 -3.336 -3.993 -1.153 N HETATM 61 H 0 -3.448 -2.013 -1.793 H HETATM 62 C 0 -1.110 -4.923 -0.764 C HETATM 63 H 0 0.300 -3.896 -2.038 H HETATM 64 C 0 -2.470 -5.041 -0.749 C HETATM 65 H 0 -0.507 -5.781 -0.474 H HETATM 66 H 0 -2.962 -5.963 -0.439 H HETATM 67 C 0 5.598 2.494 2.402 C HETATM 68 O 0 4.561 2.028 2.037 O HETATM 69 O 0 6.638 2.956 2.778 O HETATM 70 O 0 2.457 -2.561 -2.455 O HETATM 71 H 0 1.836 -2.788 -3.176 H HETATM 72 H 0 3.133 -1.853 -2.755 H HETATM 73 C 0 -0.600 -0.633 1.158 C HETATM 74 C 0 -4.795 -4.104 -0.879 C HETATM 75 C 0 -5.706 -3.287 -1.829 C HETATM 76 H 0 -4.992 -3.796 0.161 H HETATM 77 H 0 -5.057 -5.168 -0.979 H HETATM 78 H 0 -5.218 -3.059 -2.789 H HETATM 79 H 0 -6.624 -3.856 -2.021 H HETATM 80 O 0 -6.203 -2.037 -1.198 O HETATM 81 P 0 -5.487 -0.487 -1.414 P HETATM 82 O 0 -4.565 -0.469 -2.733 O HETATM 83 O 0 -4.381 -0.463 -0.096 O HETATM 84 O 0 -6.616 0.625 -1.178 O HETATM 85 P 0 -4.347 -1.016 1.557 P HETATM 86 O 0 -5.826 -0.996 2.185 O HETATM 87 O 0 -3.439 -2.331 1.608 O HETATM 88 O 0 -3.475 0.382 2.106 O HETATM 89 C 0 -3.780 1.053 3.382 C HETATM 90 H 0 -2.811 1.221 3.873 H HETATM 91 H 0 -4.419 0.416 4.015 H HETATM 92 C 0 -4.477 2.403 3.142 C HETATM 93 H 0 -4.710 2.864 4.114 H HETATM 94 O 0 -3.564 3.334 2.424 O HETATM 95 C 0 -5.733 2.322 2.259 C HETATM 96 C 0 -4.025 3.531 1.044 C HETATM 97 H 0 -6.273 1.371 2.371 H HETATM 98 C 0 -5.172 2.514 0.831 C HETATM 99 O 0 -6.602 3.456 2.581 O HETATM 100 H 0 -4.375 4.566 0.926 H HETATM 101 N 0 -2.898 3.348 0.129 N HETATM 102 H 0 -4.764 1.566 0.481 H HETATM 103 O 0 -6.173 2.999 -0.093 O HETATM 104 C 0 -2.379 2.152 -0.388 C HETATM 105 C 0 -2.050 4.369 -0.306 C HETATM 106 H 0 -6.480 2.200 -0.621 H HETATM 107 H 0 -2.839 1.186 -0.201 H HETATM 108 N 0 -1.278 2.345 -1.124 N HETATM 109 C 0 -1.045 3.735 -1.075 C HETATM 110 N 0 -2.153 5.711 -0.069 N HETATM 111 C 0 -0.026 4.574 -1.636 C HETATM 112 C 0 -1.161 6.416 -0.672 C HETATM 113 N 0 1.032 4.102 -2.353 N HETATM 114 N 0 -0.126 5.931 -1.423 N HETATM 115 H 0 -1.185 7.497 -0.540 H HETATM 116 H 0 1.677 4.780 -2.747 H HETATM 117 H 0 1.242 3.102 -2.461 H HETATM 118 H 0 -7.113 3.680 1.768 H HETATM 119 H 0 -0.632 0.150 0.395 H HETATM 120 H 0 -1.273 -1.452 0.876 H HETATM 121 H 0 -0.957 -0.216 2.114 H HETATM 122 C 0 0.792 -2.178 2.409 C HETATM 123 H 0 0.411 -1.732 3.345 H HETATM 124 H 0 0.136 -3.010 2.117 H HETATM 125 H 0 1.804 -2.558 2.574 H END CONECT 2 3 4 5 6 CONECT 3 2 CONECT 4 2 CONECT 5 2 CONECT 6 2 7 14 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 11 CONECT 10 9 CONECT 11 9 12 16 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 6 15 CONECT 15 14 CONECT 16 11 17 18 CONECT 17 16 CONECT 18 16 CONECT 19 46 CONECT 20 49 CONECT 21 49 73 122 CONECT 22 23 24 31 CONECT 23 22 CONECT 24 22 25 26 CONECT 25 24 CONECT 26 24 27 42 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 31 CONECT 30 29 CONECT 31 22 29 32 CONECT 32 31 33 34 38 CONECT 33 32 CONECT 34 32 35 36 37 CONECT 35 34 CONECT 36 34 CONECT 37 34 CONECT 38 32 39 40 41 CONECT 39 38 CONECT 40 38 CONECT 41 38 CONECT 42 26 43 44 45 CONECT 43 42 CONECT 44 42 CONECT 45 42 CONECT 46 19 47 48 49 CONECT 47 46 CONECT 48 46 CONECT 49 20 21 46 50 CONECT 50 49 CONECT 52 53 CONECT 53 52 54 57 CONECT 54 53 55 56 CONECT 55 54 CONECT 56 54 CONECT 57 53 58 59 CONECT 58 57 60 61 CONECT 59 57 62 63 CONECT 60 58 64 74 CONECT 61 58 CONECT 62 59 64 65 CONECT 63 59 CONECT 64 60 62 66 CONECT 65 62 CONECT 66 64 CONECT 67 68 69 CONECT 68 67 CONECT 69 67 CONECT 70 71 CONECT 71 70 CONECT 73 21 119 120 121 CONECT 74 60 75 76 77 CONECT 75 74 78 79 80 CONECT 76 74 CONECT 77 74 CONECT 78 75 CONECT 79 75 CONECT 80 75 81 CONECT 81 80 82 83 84 CONECT 82 81 CONECT 83 81 85 CONECT 84 81 CONECT 85 83 86 87 88 CONECT 86 85 CONECT 87 85 CONECT 88 85 89 CONECT 89 88 90 91 92 CONECT 90 89 CONECT 91 89 CONECT 92 89 93 94 95 CONECT 93 92 CONECT 94 92 96 CONECT 95 92 97 98 99 CONECT 96 94 98 100 101 CONECT 97 95 CONECT 98 95 96 102 103 CONECT 99 95 118 CONECT 100 96 CONECT 101 96 104 105 CONECT 102 98 CONECT 103 98 106 CONECT 104 101 107 108 CONECT 105 101 109 110 CONECT 106 103 CONECT 107 104 CONECT 108 104 109 CONECT 109 105 108 111 CONECT 110 105 112 CONECT 111 109 113 114 CONECT 112 110 114 115 CONECT 113 111 116 117 CONECT 114 111 112 CONECT 115 112 CONECT 116 113 CONECT 117 113 CONECT 118 99 CONECT 119 73 CONECT 120 73 CONECT 121 73 CONECT 122 21 123 124 125 CONECT 123 122 CONECT 124 122 CONECT 125 122