0 0 2 This is a remark line molecule.res <1> INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000 3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000 4 C28 c3 M 3 2 1 1.540 111.208 180.000 -0.12900 5 H50 hc E 4 3 2 1.115 48.362 -35.330 0.04700 6 H51 hc E 4 3 2 1.114 97.943 -141.770 0.04800 7 H52 hc E 4 3 2 1.111 149.144 5.841 0.06900 8 C27 c3 M 4 3 2 1.536 71.082 108.497 -0.02500 9 C29 c3 3 8 4 3 1.535 111.874 -91.847 -0.14900 10 H53 hc E 9 8 4 1.115 111.459 53.258 0.05400 11 H54 hc E 9 8 4 1.113 110.843 -66.927 0.05800 12 H55 hc E 9 8 4 1.114 111.204 173.547 0.04400 13 H49 h1 E 8 4 3 1.117 106.503 25.191 0.05300 14 N4 n M 8 4 3 1.452 115.434 140.229 -0.03400 15 H48 hn E 14 8 4 1.020 120.349 -141.350 0.09500 16 C26 c M 14 8 4 1.392 123.355 48.421 0.25300 17 O4 o E 16 14 8 1.209 122.428 -2.811 -0.42600 18 C25 c3 M 16 14 8 1.526 115.617 176.900 -0.14000 19 H46 hc E 18 16 14 1.114 108.568 -58.570 0.08300 20 H47 hc E 18 16 14 1.115 107.026 57.391 0.07000 21 C24 c3 M 18 16 14 1.537 114.342 178.390 -0.06200 22 H44 hc E 21 18 16 1.115 110.679 -167.879 0.07600 23 H45 hc E 21 18 16 1.116 107.236 -52.571 0.05900 24 C13 c3 M 21 18 16 1.538 112.943 69.043 -0.13300 25 C14 c B 24 21 18 1.524 115.989 79.387 0.24400 26 O2 o E 25 24 21 1.207 121.413 7.424 -0.39500 27 N2 n B 25 24 21 1.394 115.493 -170.795 -0.06500 28 C15 c3 3 27 25 24 1.450 122.981 178.647 -0.01900 29 C16 c3 3 28 27 25 1.536 113.911 56.762 -0.13300 30 H27 hc E 29 28 27 1.114 110.933 169.982 0.04300 31 H28 hc E 29 28 27 1.115 110.936 50.392 0.04200 32 H29 hc E 29 28 27 1.113 112.265 -70.486 0.07000 33 C17 c3 3 28 27 25 1.536 112.048 -71.791 -0.13900 34 H30 hc E 33 28 27 1.114 111.096 -173.750 0.04600 35 H31 hc E 33 28 27 1.113 111.370 66.293 0.06100 36 H32 hc E 33 28 27 1.115 111.060 -53.850 0.03900 37 H26 h1 E 28 27 25 1.117 104.182 172.708 0.05200 38 H25 hn E 27 25 24 1.025 116.417 3.523 0.13500 39 H24 hc E 24 21 18 1.112 106.902 -32.391 0.08500 40 C12 c3 M 24 21 18 1.543 111.625 -152.070 -0.07800 41 H22 hc E 40 24 21 1.114 110.315 -145.807 0.07200 42 H23 hc E 40 24 21 1.115 110.640 -29.409 0.06300 43 C7 c3 M 40 24 21 1.539 110.816 94.044 -0.13000 44 C8 c B 43 40 24 1.528 109.575 54.769 0.24700 45 O1 o E 44 43 40 1.209 119.411 51.912 -0.42000 46 N1 n B 44 43 40 1.390 116.443 -125.796 -0.04000 47 C9 c3 3 46 44 43 1.454 123.935 -177.328 -0.02000 48 C10 c3 3 47 46 44 1.540 108.351 159.663 -0.15000 49 H16 hc E 48 47 46 1.114 111.847 174.858 0.04900 50 H17 hc E 48 47 46 1.114 111.247 54.908 0.04700 51 H18 hc E 48 47 46 1.114 110.892 -64.362 0.06400 52 C11 c3 3 47 46 44 1.538 115.648 37.776 -0.13500 53 H19 hc E 52 47 46 1.113 111.132 171.672 0.04300 54 H20 hc E 52 47 46 1.114 110.858 52.167 0.05100 55 H21 hc E 52 47 46 1.112 112.868 -69.816 0.07000 56 H15 h1 E 47 46 44 1.116 106.898 -83.418 0.04700 57 H14 hn E 46 44 43 1.025 114.235 16.202 0.13700 58 H13 hc E 43 40 24 1.116 107.588 -61.894 0.08900 59 C6 c3 M 43 40 24 1.540 112.344 178.710 -0.09600 60 H11 hc E 59 43 40 1.113 108.815 66.061 0.06400 61 H12 hc E 59 43 40 1.116 108.862 -49.682 0.07200 62 C55 c3 M 59 43 40 1.540 113.547 -170.904 -0.12600 63 C56 c B 62 59 43 1.529 114.242 -52.770 0.25300 64 O9 o E 63 62 59 1.209 120.196 145.296 -0.42100 65 N9 n B 63 62 59 1.392 118.250 -39.722 -0.05100 66 C57 c3 3 65 63 62 1.454 121.945 177.186 -0.04900 67 C58 c3 3 66 65 63 1.535 109.441 -101.954 -0.14800 68 H105 hc E 67 66 65 1.114 111.684 -179.701 0.05000 69 H106 hc E 67 66 65 1.115 111.207 -58.721 0.04900 70 H107 hc E 67 66 65 1.113 110.164 60.741 0.06300 71 C59 c3 3 66 65 63 1.536 110.123 135.687 -0.13500 72 H108 hc E 71 66 65 1.114 111.521 179.114 0.05200 73 H109 hc E 71 66 65 1.114 111.080 58.660 0.05500 74 H110 hc E 71 66 65 1.114 111.055 -61.039 0.04000 75 H104 h1 E 66 65 63 1.117 110.455 17.368 0.09000 76 H103 hn E 65 63 62 1.024 117.475 -0.906 0.13800 77 H102 hc E 62 59 43 1.116 104.830 62.332 0.10300 78 C54 c3 M 62 59 43 1.544 113.764 177.862 -0.08800 79 H100 hc E 78 62 59 1.113 107.109 -150.394 0.08100 80 H101 hc E 78 62 59 1.115 111.528 -35.276 0.06300 81 C49 c3 M 78 62 59 1.537 114.280 91.124 -0.16600 82 C50 c B 81 78 62 1.521 109.813 -73.698 0.25300 83 O8 o E 82 81 78 1.210 118.658 108.037 -0.42300 84 N8 n B 82 81 78 1.388 117.635 -69.940 -0.00600 85 C51 c3 3 84 82 81 1.453 122.037 177.858 -0.05700 86 C52 c3 3 85 84 82 1.535 110.135 -103.757 -0.13900 87 H94 hc E 86 85 84 1.115 111.210 -179.682 0.05800 88 H95 hc E 86 85 84 1.115 110.966 60.558 0.04800 89 H96 hc E 86 85 84 1.114 111.108 -59.254 0.04400 90 C53 c3 3 85 84 82 1.537 109.553 134.131 -0.13800 91 H97 hc E 90 85 84 1.115 111.334 -176.935 0.05700 92 H98 hc E 90 85 84 1.113 110.975 62.749 0.04400 93 H99 hc E 90 85 84 1.115 111.329 -56.749 0.05700 94 H93 h1 E 85 84 82 1.116 110.102 15.769 0.10000 95 H92 hn E 84 82 81 1.020 116.725 2.175 0.10100 96 H91 hc E 81 78 62 1.105 106.013 40.737 0.10100 97 C48 c3 M 81 78 62 1.537 114.815 155.694 -0.08500 98 H89 hc E 97 81 78 1.114 109.213 -27.137 0.08100 99 H90 hc E 97 81 78 1.114 109.339 87.771 0.06300 100 C19 c3 M 97 81 78 1.544 115.573 -147.470 -0.12000 101 C20 c B 100 97 81 1.532 112.735 -71.070 0.23400 102 O3 o E 101 100 97 1.208 119.860 -105.379 -0.38500 103 N3 n B 101 100 97 1.390 118.576 76.130 -0.06300 104 C21 c3 3 103 101 100 1.452 122.922 173.416 -0.01900 105 C22 c3 3 104 103 101 1.535 114.529 60.649 -0.14000 106 H38 hc E 105 104 103 1.114 111.067 171.346 0.04600 107 H39 hc E 105 104 103 1.113 110.658 52.178 0.04400 108 H40 hc E 105 104 103 1.113 112.410 -68.694 0.07100 109 C23 c3 3 104 103 101 1.535 112.027 -68.230 -0.15200 110 H41 hc E 109 104 103 1.114 110.874 -173.651 0.05800 111 H42 hc E 109 104 103 1.114 111.446 66.452 0.06600 112 H43 hc E 109 104 103 1.115 111.202 -53.670 0.03500 113 H37 h1 E 104 103 101 1.118 103.949 176.713 0.05600 114 H36 hn E 103 101 100 1.020 118.122 -5.923 0.12600 115 H35 hc E 100 97 81 1.118 105.821 175.222 0.10700 116 C18 c3 M 100 97 81 1.546 116.586 57.554 -0.08900 117 H33 hc E 116 100 97 1.110 112.852 -50.912 0.05900 118 H34 hc E 116 100 97 1.117 105.886 -164.490 0.05800 119 C43 c3 M 116 100 97 1.539 117.315 77.175 -0.12400 120 C44 c B 119 116 100 1.527 117.473 -62.652 0.23500 121 O7 o E 120 119 116 1.208 119.270 116.347 -0.38500 122 N7 n B 120 119 116 1.394 119.604 -69.683 -0.06000 123 C45 c3 3 122 120 119 1.461 119.886 -155.452 -0.03600 124 C46 c3 3 123 122 120 1.532 113.601 -104.944 -0.14100 125 H83 hc E 124 123 122 1.115 111.339 178.936 0.04900 126 H84 hc E 124 123 122 1.113 111.059 59.629 0.05000 127 H85 hc E 124 123 122 1.111 110.930 -61.746 0.05700 128 C47 c3 3 123 122 120 1.539 109.412 130.952 -0.14400 129 H86 hc E 128 123 122 1.115 111.548 -177.309 0.04900 130 H87 hc E 128 123 122 1.113 110.952 62.561 0.06500 131 H88 hc E 128 123 122 1.115 111.274 -57.069 0.03300 132 H82 h1 E 123 122 120 1.118 109.487 15.264 0.08000 133 H81 hn E 122 120 119 1.024 119.159 19.349 0.13100 134 H80 hc E 119 116 100 1.116 105.898 55.683 0.10600 135 C42 c3 M 119 116 100 1.545 110.420 171.596 -0.08400 136 H78 hc E 135 119 116 1.113 109.560 -54.926 0.06800 137 H79 hc E 135 119 116 1.116 108.125 60.254 0.06600 138 C37 c3 M 135 119 116 1.541 114.902 -178.599 -0.10500 139 C38 c B 138 135 119 1.524 114.736 -169.717 0.24700 140 O6 o E 139 138 135 1.207 122.067 -15.395 -0.40800 141 N6 n B 139 138 135 1.392 116.257 164.494 -0.04000 142 C39 c3 3 141 139 138 1.453 122.344 179.596 -0.04900 143 C40 c3 3 142 141 139 1.537 109.213 -134.761 -0.13700 144 H72 hc E 143 142 141 1.114 111.367 177.233 0.05800 145 H73 hc E 143 142 141 1.115 110.918 56.949 0.04700 146 H74 hc E 143 142 141 1.114 111.021 -62.404 0.04700 147 C41 c3 3 142 141 139 1.535 110.286 103.053 -0.13700 148 H75 hc E 147 142 141 1.115 111.238 -179.966 0.05400 149 H76 hc E 147 142 141 1.114 110.865 -60.063 0.05400 150 H77 hc E 147 142 141 1.114 111.007 59.661 0.04500 151 H71 h1 E 142 141 139 1.117 110.225 -16.864 0.09100 152 H70 hn E 141 139 138 1.021 116.241 -5.833 0.10100 153 H69 hc E 138 135 119 1.116 106.355 -58.447 0.07800 154 C36 c3 M 138 135 119 1.538 114.926 59.781 -0.10700 155 H67 hc E 154 138 135 1.115 109.386 175.680 0.05100 156 H68 hc E 154 138 135 1.115 106.418 -71.983 0.09600 157 C31 c3 M 154 138 135 1.544 119.745 50.086 -0.10800 158 C32 c B 157 154 138 1.535 103.564 -168.508 0.24800 159 O5 o E 158 157 154 1.208 119.512 84.002 -0.37500 160 N5 n B 158 157 154 1.392 118.687 -90.654 -0.03100 161 C33 c3 3 160 158 157 1.455 121.769 -179.583 -0.04700 162 C34 c3 3 161 160 158 1.536 109.915 105.737 -0.14800 163 H61 hc E 162 161 160 1.114 111.372 179.002 0.04600 164 H62 hc E 162 161 160 1.114 111.141 58.503 0.03700 165 H63 hc E 162 161 160 1.114 111.035 -61.357 0.07500 166 C35 c3 3 161 160 158 1.537 109.516 -132.315 -0.13100 167 H64 hc E 166 161 160 1.115 110.986 -60.609 0.03600 168 H65 hc E 166 161 160 1.114 111.381 179.175 0.05200 169 H66 hc E 166 161 160 1.114 111.000 59.056 0.04400 170 H60 h1 E 161 160 158 1.116 110.659 -13.996 0.10300 171 H59 hn E 160 158 157 1.018 117.352 -5.866 0.08800 172 H58 hc E 157 154 138 1.115 109.601 -56.074 0.09800 173 C30 c3 M 157 154 138 1.543 116.116 67.780 -0.10100 174 H56 hc E 173 157 154 1.114 108.282 24.555 0.05000 175 H57 hc E 173 157 154 1.111 108.800 138.297 0.08000 176 C1 c3 M 173 157 154 1.541 118.257 -100.682 -0.11500 177 C2 c B 176 173 157 1.533 111.659 164.839 0.25600 178 O o E 177 176 173 1.205 120.925 108.699 -0.42100 179 N n B 177 176 173 1.391 116.944 -72.443 -0.05600 180 C3 c3 3 179 177 176 1.453 124.282 177.073 -0.02300 181 C4 c3 3 180 179 177 1.536 117.145 34.151 -0.12000 182 H5 hc E 181 180 179 1.114 110.759 168.088 0.04300 183 H6 hc E 181 180 179 1.114 111.145 48.922 0.05200 184 H7 hc E 181 180 179 1.112 112.632 -73.245 0.06600 185 C5 c3 3 180 179 177 1.536 109.907 -94.016 -0.15400 186 H8 hc E 185 180 179 1.114 111.593 -179.489 0.05400 187 H9 hc E 185 180 179 1.112 110.690 59.774 0.05400 188 H10 hc E 185 180 179 1.113 111.189 -59.488 0.04000 189 H4 h1 E 180 179 177 1.117 104.057 151.199 0.05300 190 H3 hn E 179 177 176 1.020 115.649 1.267 0.12900 191 H2 hc E 176 173 157 1.113 107.297 53.765 0.09000 192 C c3 M 176 173 157 1.543 117.060 -64.414 -0.05800 193 H hc E 192 176 173 1.117 107.259 -166.670 0.06300 194 H1 hc E 192 176 173 1.117 107.518 82.278 0.04200 195 C175 c3 M 192 176 173 1.543 121.757 -41.252 -0.11700 196 C176 c B 195 192 176 1.527 112.541 87.524 0.23300 197 O29 o E 196 195 192 1.205 119.925 -115.625 -0.38200 198 N29 n B 196 195 192 1.392 116.462 67.350 -0.04000 199 C177 c3 3 198 196 195 1.453 124.898 172.840 -0.02800 200 C178 c3 3 199 198 196 1.535 118.220 -16.275 -0.12100 201 H325 hc E 200 199 198 1.115 111.343 -51.516 0.05200 202 H326 hc E 200 199 198 1.114 110.703 -170.207 0.04700 203 H327 hc E 200 199 198 1.113 112.258 70.892 0.08000 204 C179 c3 3 199 198 196 1.534 109.569 112.802 -0.16500 205 H328 hc E 204 199 198 1.112 111.319 -66.279 0.06800 206 H329 hc E 204 199 198 1.114 111.676 172.874 0.06200 207 H330 hc E 204 199 198 1.113 110.417 52.993 0.04300 208 H324 h1 E 199 198 196 1.116 103.592 -133.226 0.05400 209 H323 hn E 198 196 195 1.019 116.030 -6.522 0.08700 210 H322 hc E 195 192 176 1.110 103.479 -163.761 0.06500 211 C174 c3 M 195 192 176 1.542 119.663 -47.771 -0.09500 212 H320 hc E 211 195 192 1.111 109.183 31.386 0.07700 213 H321 hc E 211 195 192 1.114 110.879 145.706 0.08300 214 C169 c3 M 211 195 192 1.540 116.740 -94.102 -0.08900 215 C170 c B 214 211 195 1.536 108.075 163.865 0.23600 216 O28 o E 215 214 211 1.209 120.860 106.203 -0.40700 217 N28 n B 215 214 211 1.390 117.931 -74.519 -0.05500 218 C171 c3 3 217 215 214 1.456 121.176 -173.418 -0.04600 219 C172 c3 3 218 217 215 1.535 111.132 -139.374 -0.13200 220 H314 hc E 219 218 217 1.115 111.252 176.336 0.04900 221 H315 hc E 219 218 217 1.114 111.226 56.221 0.04600 222 H316 hc E 219 218 217 1.113 110.820 -64.236 0.04400 223 C173 c3 3 218 217 215 1.536 109.695 97.923 -0.13800 224 H317 hc E 223 218 217 1.115 111.404 -179.007 0.04800 225 H318 hc E 223 218 217 1.114 110.981 60.534 0.04000 226 H319 hc E 223 218 217 1.115 110.870 -59.175 0.05000 227 H313 h1 E 218 217 215 1.117 110.059 -21.325 0.09600 228 H312 hn E 217 215 214 1.022 116.336 -1.902 0.13800 229 H311 hc E 214 211 195 1.117 109.931 48.832 0.08100 230 C168 c3 M 214 211 195 1.549 115.198 -75.070 -0.10900 231 H309 hc E 230 214 211 1.115 104.421 -165.411 0.06600 232 H310 hc E 230 214 211 1.114 110.788 -51.975 0.07900 233 C163 c3 M 230 214 211 1.543 119.374 77.317 -0.11900 234 C164 c B 233 230 214 1.529 111.543 134.313 0.25400 235 O27 o E 234 233 230 1.209 119.684 -140.881 -0.42300 236 N27 n B 234 233 230 1.392 118.196 39.294 -0.02300 237 C165 c3 3 236 234 233 1.453 121.494 -165.634 -0.07600 238 C166 c3 3 237 236 234 1.534 111.336 -130.470 -0.12900 239 H303 hc E 238 237 236 1.115 111.311 -179.125 0.05700 240 H304 hc E 238 237 236 1.113 110.866 61.589 0.04700 241 H305 hc E 238 237 236 1.114 111.057 -58.637 0.05400 242 C167 c3 3 237 236 234 1.536 109.317 106.827 -0.14000 243 H306 hc E 242 237 236 1.114 111.256 -178.191 0.05500 244 H307 hc E 242 237 236 1.113 110.938 61.374 0.04600 245 H308 hc E 242 237 236 1.115 110.885 -58.420 0.04400 246 H302 h1 E 237 236 234 1.113 109.689 -10.497 0.12200 247 H301 hn E 236 234 233 1.021 117.467 3.548 0.10500 248 H300 hc E 233 230 214 1.116 105.101 24.009 0.08700 249 C162 c3 M 233 230 214 1.544 114.912 -94.933 -0.10300 250 H298 hc E 249 233 230 1.114 107.193 128.026 0.05500 251 H299 hc E 249 233 230 1.113 110.606 13.611 0.08800 252 C157 c3 M 249 233 230 1.541 118.804 -111.911 -0.11300 253 C158 c B 252 249 233 1.529 107.788 -152.946 0.23200 254 O26 o E 253 252 249 1.207 121.125 -94.960 -0.38300 255 N26 n B 253 252 249 1.392 116.656 83.310 -0.04500 256 C159 c3 3 255 253 252 1.456 122.326 -178.114 -0.04800 257 C160 c3 3 256 255 253 1.536 110.058 116.840 -0.15800 258 H292 hc E 257 256 255 1.115 111.512 -59.406 0.04800 259 H293 hc E 257 256 255 1.115 111.753 179.918 0.06700 260 H294 hc E 257 256 255 1.111 110.468 60.081 0.06000 261 C161 c3 3 256 255 253 1.536 109.702 -121.256 -0.14400 262 H295 hc E 261 256 255 1.114 111.538 -178.686 0.05700 263 H296 hc E 261 256 255 1.114 110.904 61.626 0.04700 264 H297 hc E 261 256 255 1.114 111.103 -58.132 0.05300 265 H291 h1 E 256 255 253 1.117 110.698 -2.111 0.10100 266 H290 hn E 255 253 252 1.021 116.565 1.425 0.10000 267 H289 hc E 252 249 233 1.113 109.680 -38.637 0.08300 268 C156 c3 M 252 249 233 1.541 111.310 82.523 -0.09000 269 H287 hc E 268 252 249 1.115 107.900 -37.481 0.06100 270 H288 hc E 268 252 249 1.114 110.674 78.071 0.08300 271 C133 c3 M 268 252 249 1.538 114.507 -155.849 -0.12900 272 C134 c B 271 268 252 1.527 111.162 167.389 0.23600 273 O22 o E 272 271 268 1.208 120.428 -133.842 -0.39400 274 N22 n B 272 271 268 1.392 117.230 50.631 -0.03900 275 C135 c3 3 274 272 271 1.452 121.641 174.077 -0.05000 276 C136 c3 3 275 274 272 1.536 109.613 -96.330 -0.14000 277 H248 hc E 276 275 274 1.115 110.854 60.114 0.04400 278 H249 hc E 276 275 274 1.114 111.144 -59.570 0.04300 279 H250 hc E 276 275 274 1.114 111.353 179.973 0.05400 280 C137 c3 3 275 274 272 1.536 109.939 141.393 -0.13100 281 H251 hc E 280 275 274 1.115 111.033 60.621 0.04400 282 H252 hc E 280 275 274 1.115 111.063 -59.144 0.05300 283 H253 hc E 280 275 274 1.115 111.358 -179.180 0.05400 284 H247 h1 E 275 274 272 1.116 110.043 23.309 0.09800 285 H246 hn E 274 272 271 1.021 116.768 2.505 0.10500 286 H245 hc E 271 268 252 1.114 106.041 51.550 0.10100 287 C132 c3 M 271 268 252 1.539 116.139 -69.839 -0.11100 288 H243 hc E 287 271 268 1.114 108.975 -92.657 0.06000 289 H244 hc E 287 271 268 1.109 111.851 21.893 0.09200 290 C97 c3 M 287 271 268 1.544 112.206 144.045 -0.12200 291 C98 c B 290 287 271 1.524 110.407 145.005 0.25100 292 O16 o E 291 290 287 1.209 121.367 115.582 -0.40800 293 N16 n B 291 290 287 1.391 115.874 -64.592 -0.03400 294 C99 c3 3 293 291 290 1.453 122.110 175.388 -0.05100 295 C100 c3 3 294 293 291 1.536 109.651 -105.598 -0.14100 296 H182 hc E 295 294 293 1.114 111.351 179.588 0.05400 297 H183 hc E 295 294 293 1.114 110.894 59.662 0.05200 298 H184 hc E 295 294 293 1.114 111.106 -60.037 0.04200 299 C101 c3 3 294 293 291 1.536 109.849 132.390 -0.13200 300 H185 hc E 299 294 293 1.115 111.325 -179.497 0.05400 301 H186 hc E 299 294 293 1.114 110.933 60.282 0.04300 302 H187 hc E 299 294 293 1.114 110.957 -59.520 0.05000 303 H181 h1 E 294 293 291 1.117 110.439 13.768 0.10000 304 H180 hn E 293 291 290 1.022 116.346 0.451 0.10400 305 H179 hc E 290 287 271 1.116 109.909 29.980 0.09400 306 C96 c3 M 290 287 271 1.539 109.158 -89.526 -0.10400 307 H177 hc E 306 290 287 1.111 107.554 44.660 0.06700 308 H178 hc E 306 290 287 1.113 108.027 -68.450 0.07800 309 C139 c3 M 306 290 287 1.542 115.501 167.619 -0.10000 310 C140 c B 309 306 290 1.525 111.307 135.139 0.23800 311 O23 o E 310 309 306 1.207 122.181 123.208 -0.39900 312 N23 n B 310 309 306 1.391 116.839 -58.462 -0.06400 313 C141 c3 3 312 310 309 1.452 120.954 -178.913 -0.04500 314 C142 c3 3 313 312 310 1.535 110.152 -146.850 -0.13300 315 H259 hc E 314 313 312 1.113 111.460 177.955 0.05000 316 H260 hc E 314 313 312 1.115 111.001 58.096 0.04700 317 H261 hc E 314 313 312 1.114 110.918 -61.695 0.04700 318 C143 c3 3 313 312 310 1.534 110.374 89.471 -0.14800 319 H262 hc E 318 313 312 1.114 110.486 -58.354 0.05400 320 H263 hc E 318 313 312 1.115 111.701 -177.885 0.05400 321 H264 hc E 318 313 312 1.114 111.217 61.349 0.04200 322 H258 h1 E 313 312 310 1.116 109.117 -30.306 0.09300 323 H257 hn E 312 310 309 1.024 116.612 -6.819 0.14200 324 H256 hc E 309 306 290 1.116 106.901 23.541 0.07800 325 C138 c3 M 309 306 290 1.543 112.532 -93.080 -0.07600 326 H254 hc E 325 309 306 1.114 107.820 39.444 0.06100 327 H255 hc E 325 309 306 1.113 107.493 151.882 0.05300 328 C127 c3 M 325 309 306 1.545 120.734 -85.962 -0.11900 329 C128 c B 328 325 309 1.526 106.075 177.206 0.23700 330 O21 o E 329 328 325 1.206 120.612 -96.523 -0.41000 331 N21 n B 329 328 325 1.390 117.124 81.377 -0.04200 332 C129 c3 3 331 329 328 1.452 121.749 177.689 -0.04700 333 C130 c3 3 332 331 329 1.535 110.225 -98.638 -0.15500 334 H237 hc E 333 332 331 1.114 111.092 -62.846 0.05300 335 H238 hc E 333 332 331 1.115 111.237 176.915 0.05000 336 H239 hc E 333 332 331 1.115 111.034 57.066 0.06400 337 C131 c3 3 332 331 329 1.536 109.566 139.151 -0.13300 338 H240 hc E 337 332 331 1.115 111.433 -178.366 0.05400 339 H241 hc E 337 332 331 1.115 110.964 61.519 0.04400 340 H242 hc E 337 332 331 1.115 110.950 -58.212 0.04500 341 H236 h1 E 332 331 329 1.116 110.041 21.308 0.09300 342 H235 hn E 331 329 328 1.018 115.930 6.085 0.11000 343 H234 hc E 328 325 309 1.112 110.529 -68.643 0.11600 344 C126 c3 M 328 325 309 1.535 114.392 52.842 -0.08200 345 H232 hc E 344 328 325 1.112 108.840 -49.237 0.06600 346 H233 hc E 344 328 325 1.115 108.217 65.819 0.07200 347 C79 c3 M 344 328 325 1.542 117.614 -169.138 -0.11800 348 C80 c B 347 344 328 1.527 117.084 -53.967 0.24200 349 O13 o E 348 347 344 1.208 120.913 127.575 -0.44000 350 N13 n B 348 347 344 1.389 117.222 -57.938 -0.03100 351 C81 c3 3 350 348 347 1.453 122.032 -162.865 -0.04400 352 C82 c3 3 351 350 348 1.535 111.237 -133.408 -0.13500 353 H149 hc E 352 351 350 1.114 111.235 178.948 0.04300 354 H150 hc E 352 351 350 1.114 111.098 -61.059 0.04800 355 H151 hc E 352 351 350 1.113 111.281 59.039 0.05800 356 C83 c3 3 351 350 348 1.538 108.880 104.433 -0.13800 357 H152 hc E 356 351 350 1.114 111.353 -177.268 0.04600 358 H153 hc E 356 351 350 1.114 111.201 62.326 0.05200 359 H154 hc E 356 351 350 1.115 110.939 -57.391 0.03300 360 H148 h1 E 351 350 348 1.116 110.268 -14.199 0.08900 361 H147 hn E 350 348 347 1.024 116.632 14.276 0.15600 362 H146 hc E 347 344 328 1.114 103.577 -166.991 0.06900 363 C78 c3 M 347 344 328 1.546 113.701 79.015 -0.09300 364 H144 hc E 363 347 344 1.115 110.007 41.679 0.07100 365 H145 hc E 363 347 344 1.112 108.642 -73.997 0.09500 366 C151 c3 M 363 347 344 1.545 114.241 162.127 -0.11700 367 C152 c B 366 363 347 1.530 110.121 -63.260 0.23300 368 O25 o E 367 366 363 1.208 121.047 -91.214 -0.39700 369 N25 n B 367 366 363 1.392 117.028 88.270 -0.05100 370 C153 c3 3 369 367 366 1.453 122.493 -174.441 -0.05800 371 C154 c3 3 370 369 367 1.535 111.145 -123.621 -0.13700 372 H281 hc E 371 370 369 1.114 111.260 -177.569 0.05000 373 H282 hc E 371 370 369 1.113 110.657 62.881 0.04900 374 H283 hc E 371 370 369 1.114 111.083 -57.203 0.04800 375 C155 c3 3 370 369 367 1.534 109.396 114.216 -0.15600 376 H284 hc E 375 370 369 1.115 111.579 -176.130 0.04500 377 H285 hc E 375 370 369 1.114 110.793 63.208 0.06600 378 H286 hc E 375 370 369 1.114 110.442 -56.056 0.05100 379 H280 h1 E 370 369 367 1.114 110.305 -4.296 0.10200 380 H279 hn E 369 367 366 1.022 116.166 1.459 0.11000 381 H278 hc E 366 363 347 1.112 110.931 51.501 0.09200 382 C150 c3 M 366 363 347 1.542 113.093 171.082 -0.09400 383 H276 hc E 382 366 363 1.114 111.297 28.083 0.08100 384 H277 hc E 382 366 363 1.111 106.057 143.111 0.06100 385 C91 c3 M 382 366 363 1.541 116.011 -99.317 -0.11800 386 C92 c B 385 382 366 1.524 112.838 80.919 0.23900 387 O15 o E 386 385 382 1.207 119.974 100.350 -0.39900 388 N15 n B 386 385 382 1.390 117.836 -81.657 -0.05000 389 C93 c3 3 388 386 385 1.454 121.366 -175.320 -0.04300 390 C94 c3 3 389 388 386 1.531 109.788 -112.657 -0.16800 391 H171 hc E 390 389 388 1.114 112.168 -177.598 0.04900 392 H172 hc E 390 389 388 1.115 111.277 61.672 0.07800 393 H173 hc E 390 389 388 1.111 109.657 -57.971 0.04000 394 C95 c3 3 389 388 386 1.536 109.157 125.417 -0.14200 395 H174 hc E 394 389 388 1.114 111.542 179.186 0.04800 396 H175 hc E 394 389 388 1.114 111.013 58.673 0.04600 397 H176 hc E 394 389 388 1.115 110.945 -60.806 0.04800 398 H170 h1 E 389 388 386 1.116 111.069 6.865 0.10900 399 H169 hn E 388 386 385 1.024 117.738 5.534 0.13800 400 H168 hc E 385 382 366 1.114 109.780 -35.491 0.07800 401 C90 c3 M 385 382 366 1.547 112.694 -154.360 -0.09200 402 H166 hc E 401 385 382 1.115 107.128 -172.268 0.08600 403 H167 hc E 401 385 382 1.115 110.163 -56.541 0.07700 404 C73 c3 M 401 385 382 1.542 115.601 69.376 -0.11200 405 C74 c B 404 401 385 1.525 108.559 48.527 0.23800 406 O12 o E 405 404 401 1.208 119.930 67.184 -0.39400 407 N12 n B 405 404 401 1.390 117.814 -110.698 -0.03600 408 C75 c3 3 407 405 404 1.455 121.158 178.750 -0.05100 409 C76 c3 3 408 407 405 1.535 110.358 -105.684 -0.15300 410 H138 hc E 409 408 407 1.114 111.539 178.579 0.05500 411 H139 hc E 409 408 407 1.115 111.084 58.415 0.06300 412 H140 hc E 409 408 407 1.112 110.892 -61.457 0.04100 413 C77 c3 3 408 407 405 1.537 109.800 131.364 -0.13500 414 H141 hc E 413 408 407 1.114 111.339 -179.692 0.05400 415 H142 hc E 413 408 407 1.113 111.062 60.011 0.03900 416 H143 hc E 413 408 407 1.115 110.951 -59.555 0.05100 417 H137 h1 E 408 407 405 1.116 110.307 13.638 0.10300 418 H136 hn E 407 405 404 1.020 116.672 3.027 0.09900 419 H135 hc E 404 401 385 1.115 109.747 -68.377 0.06700 420 C72 c3 M 404 401 385 1.546 112.092 173.575 -0.09700 421 H133 hc E 420 404 401 1.113 110.339 -51.364 0.08200 422 H134 hc E 420 404 401 1.115 107.519 62.637 0.07400 423 C67 c3 M 420 404 401 1.545 113.701 -174.772 -0.11100 424 C68 c B 423 420 404 1.535 117.148 105.398 0.24900 425 O11 o E 424 423 420 1.209 118.885 157.845 -0.42500 426 N11 n B 424 423 420 1.392 118.624 -26.540 -0.04300 427 C69 c3 3 426 424 423 1.451 125.543 -170.085 -0.02700 428 C70 c3 3 427 426 424 1.535 116.898 31.594 -0.11900 429 H127 hc E 428 427 426 1.114 110.792 167.295 0.04100 430 H128 hc E 428 427 426 1.114 111.100 48.065 0.04400 431 H129 hc E 428 427 426 1.111 112.639 -73.834 0.06600 432 C71 c3 3 427 426 424 1.534 111.116 -99.494 -0.14900 433 H130 hc E 432 427 426 1.114 111.419 -174.523 0.04800 434 H131 hc E 432 427 426 1.111 111.064 65.419 0.05500 435 H132 hc E 432 427 426 1.116 111.267 -54.277 0.04800 436 H126 h1 E 427 426 424 1.117 103.005 146.828 0.05600 437 H125 hn E 426 424 423 1.019 116.914 11.201 0.13600 438 H124 hc E 423 420 404 1.116 105.924 -5.433 0.06700 439 C66 c3 M 423 420 404 1.544 113.740 -119.478 -0.07800 440 H122 hc E 439 423 420 1.115 108.355 176.404 0.07200 441 H123 hc E 439 423 420 1.117 107.752 63.458 0.05200 442 C145 c3 M 439 423 420 1.544 118.702 -59.292 -0.12000 443 C146 c B 442 439 423 1.525 114.490 -41.697 0.23900 444 O24 o E 443 442 439 1.209 119.640 116.006 -0.40000 445 N24 n B 443 442 439 1.390 118.394 -63.495 -0.03100 446 C147 c3 3 445 443 442 1.456 121.614 -175.780 -0.03500 447 C148 c3 3 446 445 443 1.538 110.819 -161.143 -0.14400 448 H270 hc E 447 446 445 1.114 111.599 177.912 0.04900 449 H271 hc E 447 446 445 1.110 111.557 57.690 0.06400 450 H272 hc E 447 446 445 1.115 110.926 -61.524 0.04300 451 C149 c3 3 446 445 443 1.535 112.111 77.779 -0.16100 452 H273 hc E 451 446 445 1.112 110.850 -55.853 0.07500 453 H274 hc E 451 446 445 1.113 111.523 64.840 0.04200 454 H275 hc E 451 446 445 1.114 111.251 -175.527 0.05200 455 H269 h1 E 446 445 443 1.117 108.357 -42.303 0.07800 456 H268 hn E 445 443 442 1.022 116.371 11.289 0.12400 457 H267 hc E 442 439 423 1.115 107.307 74.294 0.09600 458 C144 c3 M 442 439 423 1.546 109.179 -170.071 -0.07800 459 H265 hc E 458 442 439 1.116 107.203 -53.970 0.06500 460 H266 hc E 458 442 439 1.114 109.477 59.954 0.05900 461 C121 c3 M 458 442 439 1.543 117.262 -174.950 -0.10800 462 C122 c B 461 458 442 1.532 110.139 137.497 0.24900 463 O20 o E 462 461 458 1.210 120.799 83.902 -0.43300 464 N20 n B 462 461 458 1.388 116.592 -97.397 -0.03700 465 C123 c3 3 464 462 461 1.452 122.946 179.364 -0.04300 466 C124 c3 3 465 464 462 1.535 110.415 -100.155 -0.14000 467 H226 hc E 466 465 464 1.115 111.293 177.153 0.04400 468 H227 hc E 466 465 464 1.115 111.004 57.148 0.05400 469 H228 hc E 466 465 464 1.114 110.999 -62.945 0.04200 470 C125 c3 3 465 464 462 1.538 109.736 138.391 -0.14700 471 H229 hc E 470 465 464 1.114 111.441 -176.257 0.04800 472 H230 hc E 470 465 464 1.112 110.689 63.649 0.03400 473 H231 hc E 470 465 464 1.113 111.900 -55.408 0.06700 474 H225 h1 E 465 464 462 1.116 109.945 19.651 0.09300 475 H224 hn E 464 462 461 1.019 115.104 5.772 0.13300 476 H223 hc E 461 458 442 1.116 109.386 20.154 0.09500 477 C120 c3 M 461 458 442 1.542 113.009 -100.915 -0.10600 478 H221 hc E 477 461 458 1.114 108.596 -55.678 0.07000 479 H222 hc E 477 461 458 1.108 109.440 58.232 0.08100 480 C85 c3 M 477 461 458 1.546 112.983 -178.306 -0.12500 481 C86 c B 480 477 461 1.527 112.902 133.426 0.24900 482 O14 o E 481 480 477 1.209 121.264 136.947 -0.42300 483 N14 n B 481 480 477 1.392 117.242 -47.458 -0.06200 484 C87 c3 3 483 481 480 1.454 122.294 173.817 -0.04300 485 C88 c3 3 484 483 481 1.538 109.153 -126.583 -0.13500 486 H160 hc E 485 484 483 1.114 111.400 178.104 0.04800 487 H161 hc E 485 484 483 1.115 110.927 58.300 0.04600 488 H162 hc E 485 484 483 1.114 111.039 -61.490 0.04600 489 C89 c3 3 484 483 481 1.535 111.312 111.025 -0.13500 490 H163 hc E 489 484 483 1.114 111.242 176.423 0.04700 491 H164 hc E 489 484 483 1.115 111.193 56.023 0.04700 492 H165 hc E 489 484 483 1.114 110.974 -64.575 0.04600 493 H159 h1 E 484 483 481 1.116 110.281 -9.052 0.09200 494 H158 hn E 483 481 480 1.025 116.368 -6.713 0.14600 495 H157 hc E 480 477 461 1.112 107.357 21.227 0.08700 496 C84 c3 M 480 477 461 1.542 111.324 -95.906 -0.07800 497 H155 hc E 496 480 477 1.115 106.855 48.884 0.07900 498 H156 hc E 496 480 477 1.115 109.296 -66.421 0.06900 499 C115 c3 M 496 480 477 1.544 116.357 169.476 -0.11400 500 C116 c B 499 496 480 1.522 109.365 -36.376 0.25300 501 O19 o E 500 499 496 1.208 120.976 -74.977 -0.42300 502 N19 n B 500 499 496 1.392 115.334 100.982 -0.06300 503 C117 c3 3 502 500 499 1.450 123.266 -175.708 -0.02100 504 C118 c3 3 503 502 500 1.534 110.465 82.309 -0.17200 505 H215 hc E 504 503 502 1.111 111.528 56.787 0.05600 506 H216 hc E 504 503 502 1.111 110.462 -61.584 0.06100 507 H217 hc E 504 503 502 1.114 111.825 177.891 0.05000 508 C119 c3 3 503 502 500 1.536 115.629 -45.321 -0.13100 509 H218 hc E 508 503 502 1.113 112.316 72.461 0.06600 510 H219 hc E 508 503 502 1.114 111.303 -49.170 0.04900 511 H220 hc E 508 503 502 1.114 110.889 -168.745 0.04100 512 H214 h1 E 503 502 500 1.117 104.404 -162.289 0.05400 513 H213 hn E 502 500 499 1.026 114.439 -9.482 0.13500 514 H212 hc E 499 496 480 1.116 109.655 79.753 0.09100 515 C114 c3 M 499 496 480 1.539 110.598 -164.316 -0.09400 516 H210 hc E 515 499 496 1.117 106.477 -60.266 0.07100 517 H211 hc E 515 499 496 1.109 108.654 52.938 0.07400 518 C109 c3 M 515 499 496 1.547 118.250 177.786 -0.09300 519 C110 c B 518 515 499 1.528 108.629 160.966 0.24600 520 O18 o E 519 518 515 1.209 121.078 31.668 -0.42000 521 N18 n B 519 518 515 1.389 117.092 -148.939 -0.05900 522 C111 c3 3 521 519 518 1.454 122.143 -179.441 -0.05100 523 C112 c3 3 522 521 519 1.535 109.799 -109.303 -0.13400 524 H204 hc E 523 522 521 1.114 110.990 -60.180 0.04200 525 H205 hc E 523 522 521 1.115 111.336 179.494 0.04800 526 H206 hc E 523 522 521 1.114 110.854 59.630 0.05000 527 C113 c3 3 522 521 519 1.536 109.730 128.621 -0.13700 528 H207 hc E 527 522 521 1.115 111.357 179.364 0.05000 529 H208 hc E 527 522 521 1.115 110.957 58.987 0.04600 530 H209 hc E 527 522 521 1.115 111.090 -60.850 0.04200 531 H203 h1 E 522 521 519 1.117 110.559 10.203 0.10100 532 H202 hn E 521 519 518 1.023 116.253 3.346 0.13900 533 H201 hc E 518 515 499 1.116 106.954 48.036 0.08400 534 C108 c3 M 518 515 499 1.546 112.357 -72.004 -0.08300 535 H199 hc E 534 518 515 1.113 108.039 -34.305 0.06900 536 H200 hc E 534 518 515 1.114 107.009 80.278 0.07000 537 C103 c3 M 534 518 515 1.541 122.805 -156.981 -0.11000 538 C104 c B 537 534 518 1.522 115.974 -59.095 0.25400 539 O17 o E 538 537 534 1.208 121.771 12.802 -0.41700 540 N17 n B 538 537 534 1.393 115.486 -167.054 -0.05800 541 C105 c3 3 540 538 537 1.452 122.318 -178.595 -0.04600 542 C106 c3 3 541 540 538 1.535 109.907 -113.623 -0.13400 543 H193 hc E 542 541 540 1.113 111.299 179.521 0.04800 544 H194 hc E 542 541 540 1.114 110.848 59.665 0.04800 545 H195 hc E 542 541 540 1.114 111.115 -60.159 0.04400 546 C107 c3 3 541 540 538 1.536 109.631 124.296 -0.13600 547 H196 hc E 546 541 540 1.115 111.273 -179.099 0.05000 548 H197 hc E 546 541 540 1.115 111.108 60.592 0.04500 549 H198 hc E 546 541 540 1.114 111.039 -59.139 0.04700 550 H192 h1 E 541 540 538 1.117 110.454 5.840 0.09400 551 H191 hn E 540 538 537 1.026 116.108 2.642 0.14100 552 H190 hc E 537 534 518 1.118 105.726 -171.457 0.08000 553 C102 c3 M 537 534 518 1.539 114.092 71.514 -0.12000 554 H188 hc E 553 537 534 1.115 110.987 -152.821 0.07200 555 H189 hc E 553 537 534 1.104 108.781 -41.311 0.09000 556 C61 c3 M 553 537 534 1.542 114.969 84.545 -0.09900 557 C62 c B 556 553 537 1.533 108.823 82.492 0.23900 558 O10 o E 557 556 553 1.211 120.134 -18.526 -0.41300 559 N10 n B 557 556 553 1.393 118.903 162.464 -0.05000 560 C63 c3 3 559 557 556 1.456 120.967 -174.959 -0.04600 561 C64 c3 3 560 559 557 1.537 110.610 -148.116 -0.14800 562 H116 hc E 561 560 559 1.113 110.777 -61.095 0.05500 563 H117 hc E 561 560 559 1.114 111.437 178.665 0.06000 564 H118 hc E 561 560 559 1.113 111.300 58.864 0.05100 565 C65 c3 3 560 559 557 1.537 109.788 89.859 -0.14300 566 H119 hc E 565 560 559 1.114 111.043 60.176 0.05000 567 H120 hc E 565 560 559 1.114 110.936 -59.558 0.05100 568 H121 hc E 565 560 559 1.114 111.330 -179.401 0.05400 569 H115 h1 E 560 559 557 1.117 109.899 -30.008 0.09200 570 H114 hn E 559 557 556 1.021 117.677 -6.951 0.11800 571 H113 hc E 556 553 537 1.115 111.117 -34.698 0.08100 572 C60 c3 M 556 553 537 1.539 110.287 -154.137 -0.12100 573 H111 hc E 572 556 553 1.116 106.518 -52.259 0.06900 574 H112 hc E 572 556 553 1.109 110.530 -166.339 0.08000 575 C295 c3 M 572 556 553 1.543 116.267 70.461 -0.14900 576 C296 c B 575 572 556 1.525 108.247 -152.017 0.24500 577 O49 o E 576 575 572 1.208 118.382 127.960 -0.38100 578 N49 n B 576 575 572 1.394 118.711 -48.481 -0.06000 579 C297 c3 3 578 576 575 1.459 118.976 156.913 -0.04400 580 C298 c3 3 579 578 576 1.538 108.934 -82.677 -0.14800 581 H546 hc E 580 579 578 1.115 111.488 178.105 0.05100 582 H547 hc E 580 579 578 1.115 111.105 58.326 0.04800 583 H548 hc E 580 579 578 1.115 110.960 -61.399 0.04000 584 C299 c3 3 579 578 576 1.536 112.878 155.189 -0.13500 585 H549 hc E 584 579 578 1.114 111.344 175.943 0.05200 586 H550 hc E 584 579 578 1.114 111.116 55.879 0.04700 587 H551 hc E 584 579 578 1.113 111.583 -65.460 0.05600 588 H545 h1 E 579 578 576 1.117 109.575 36.247 0.09400 589 H544 hn E 578 576 575 1.027 116.737 -5.744 0.13400 590 H543 hc E 575 572 556 1.107 106.231 -40.437 0.11800 591 C294 c3 M 575 572 556 1.541 117.828 78.225 -0.11000 592 H541 hc E 591 575 572 1.107 105.449 4.040 0.05200 593 H542 hc E 591 575 572 1.110 110.313 119.364 0.09100 594 C289 c3 M 591 575 572 1.546 117.076 -116.052 -0.10800 595 C290 c B 594 591 575 1.532 115.037 -73.407 0.23800 596 O48 o E 595 594 591 1.206 118.573 -135.317 -0.41700 597 N48 n B 595 594 591 1.393 120.140 47.148 -0.03200 598 C291 c3 3 597 595 594 1.451 124.384 -173.524 -0.02700 599 C292 c3 3 598 597 595 1.535 110.865 87.340 -0.15300 600 H535 hc E 599 598 597 1.115 111.461 175.586 0.04200 601 H536 hc E 599 598 597 1.112 110.523 -64.534 0.04700 602 H537 hc E 599 598 597 1.113 111.726 55.037 0.05900 603 C293 c3 3 598 597 595 1.533 116.511 -41.644 -0.13600 604 H538 hc E 603 598 597 1.115 110.976 -166.792 0.03500 605 H539 hc E 603 598 597 1.112 112.004 74.613 0.07500 606 H540 hc E 603 598 597 1.114 110.504 -47.692 0.04700 607 H534 h1 E 598 597 595 1.117 103.788 -158.147 0.06600 608 H533 hn E 597 595 594 1.023 119.445 3.004 0.15200 609 H532 hc E 594 591 575 1.113 103.575 40.273 0.08000 610 C288 c3 M 594 591 575 1.555 113.408 152.427 -0.05700 611 H530 hc E 610 594 591 1.117 107.458 -151.362 0.06500 612 H531 hc E 610 594 591 1.108 106.508 -41.103 0.03600 613 C283 c3 M 610 594 591 1.548 122.981 84.561 -0.10700 614 C284 c B 613 610 594 1.527 115.051 -17.845 0.25900 615 O47 o E 614 613 610 1.211 120.056 -78.424 -0.47000 616 N47 n B 614 613 610 1.390 116.397 104.960 -0.03800 617 C285 c3 3 616 614 613 1.451 122.685 174.003 -0.03300 618 C286 c3 3 617 616 614 1.538 112.412 -59.434 -0.14900 619 H524 hc E 618 617 616 1.113 112.789 65.862 0.06700 620 H525 hc E 618 617 616 1.112 110.215 -54.230 0.04500 621 H526 hc E 618 617 616 1.114 111.430 -174.125 0.05300 622 C287 c3 3 617 616 614 1.540 109.524 178.694 -0.13700 623 H527 hc E 622 617 616 1.114 111.464 -175.328 0.04800 624 H528 hc E 622 617 616 1.113 111.112 64.329 0.04400 625 H529 hc E 622 617 616 1.114 111.450 -55.075 0.06100 626 H523 h1 E 617 616 614 1.116 107.771 60.799 0.06300 627 H522 hn E 616 614 613 1.029 115.153 -13.483 0.17800 628 H521 hc E 613 610 594 1.118 107.643 99.762 0.09700 629 C282 c3 M 613 610 594 1.549 116.167 -142.327 -0.11100 630 H519 hc E 629 613 610 1.109 108.587 68.767 0.07300 631 H520 hc E 629 613 610 1.116 107.821 178.818 0.06300 632 C277 c3 M 629 613 610 1.546 118.525 -58.883 -0.11200 633 C278 c B 632 629 613 1.530 106.933 -91.480 0.24400 634 O46 o E 633 632 629 1.207 120.279 99.525 -0.41000 635 N46 n B 633 632 629 1.392 118.450 -79.189 -0.03200 636 C279 c3 3 635 633 632 1.454 121.264 -177.751 -0.04400 637 C280 c3 3 636 635 633 1.534 109.357 -157.173 -0.15600 638 H513 hc E 637 636 635 1.115 111.733 174.876 0.07000 639 H514 hc E 637 636 635 1.111 110.060 54.449 0.05700 640 H515 hc E 637 636 635 1.115 111.328 -64.185 0.05200 641 C281 c3 3 636 635 633 1.535 111.461 80.895 -0.14600 642 H516 hc E 641 636 635 1.115 111.231 177.724 0.05400 643 H517 hc E 641 636 635 1.112 111.137 -62.886 0.05700 644 H518 hc E 641 636 635 1.114 111.047 57.240 0.04500 645 H512 h1 E 636 635 633 1.118 108.954 -39.954 0.08500 646 H511 hn E 635 633 632 1.020 117.109 -5.730 0.10500 647 H510 hc E 632 629 613 1.115 110.152 25.131 0.09800 648 C276 c3 M 632 629 613 1.549 114.294 147.375 -0.10800 649 H508 hc E 648 632 629 1.115 107.338 29.520 0.08000 650 H509 hc E 648 632 629 1.116 108.631 143.069 0.06000 651 C253 c3 M 648 632 629 1.549 119.042 -96.206 -0.08700 652 C254 c B 651 648 632 1.528 109.722 173.694 0.24200 653 O42 o E 652 651 648 1.209 121.194 -29.296 -0.42900 654 N42 n B 652 651 648 1.390 117.855 151.276 -0.02700 655 C255 c3 3 654 652 651 1.453 121.259 -173.749 -0.04000 656 C256 c3 3 655 654 652 1.533 111.357 -88.200 -0.15300 657 H469 hc E 656 655 654 1.114 111.547 178.415 0.04900 658 H470 hc E 656 655 654 1.113 110.207 59.097 0.04600 659 H471 hc E 656 655 654 1.113 111.154 -61.152 0.06800 660 C257 c3 3 655 654 652 1.536 109.688 148.719 -0.13000 661 H472 hc E 660 655 654 1.115 110.971 -59.438 0.04400 662 H473 hc E 660 655 654 1.115 111.308 -179.391 0.05300 663 H474 hc E 660 655 654 1.115 110.982 60.384 0.05100 664 H468 h1 E 655 654 652 1.117 109.134 31.717 0.08100 665 H467 hn E 654 652 651 1.023 116.700 15.790 0.12800 666 H466 hc E 651 648 632 1.117 107.234 -73.427 0.07200 667 C252 c3 M 651 648 632 1.536 112.633 44.574 -0.14200 668 H464 hc E 667 651 648 1.115 110.526 -97.148 0.07400 669 H465 hc E 667 651 648 1.092 103.690 14.403 0.08700 670 C217 c3 M 667 651 648 1.538 120.401 132.023 -0.12300 671 C218 c B 670 667 651 1.529 105.627 89.471 0.24800 672 O36 o E 671 670 667 1.207 118.861 -101.351 -0.40800 673 N36 n B 671 670 667 1.391 117.327 73.022 -0.02900 674 C219 c3 3 673 671 670 1.456 125.229 -171.116 -0.04800 675 C220 c3 3 674 673 671 1.537 108.415 113.128 -0.15400 676 H403 hc E 675 674 673 1.115 110.827 -65.263 0.04800 677 H404 hc E 675 674 673 1.115 111.755 174.214 0.05900 678 H405 hc E 675 674 673 1.115 111.015 54.318 0.05300 679 C221 c3 3 674 673 671 1.535 118.340 -13.978 -0.11100 680 H406 hc E 679 674 673 1.114 110.675 -173.543 0.04700 681 H407 hc E 679 674 673 1.114 111.829 67.847 0.05900 682 H408 hc E 679 674 673 1.114 111.443 -54.859 0.05800 683 H402 h1 E 674 673 671 1.114 104.764 -132.480 0.07100 684 H401 hn E 673 671 670 1.019 116.016 2.643 0.10000 685 H400 hc E 670 667 651 1.114 109.580 -26.372 0.09700 686 C216 c3 M 670 667 651 1.550 113.532 -145.568 -0.08300 687 H398 hc E 686 670 667 1.114 108.040 -70.048 0.05500 688 H399 hc E 686 670 667 1.114 108.652 175.196 0.07700 689 C259 c3 M 686 670 667 1.546 116.668 51.835 -0.13000 690 C260 c B 689 686 670 1.529 116.874 -175.989 0.25500 691 O43 o E 690 689 686 1.210 122.120 -8.842 -0.44300 692 N43 n B 690 689 686 1.394 115.359 168.701 -0.02400 693 C261 c3 3 692 690 689 1.451 123.228 173.076 -0.05900 694 C262 c3 3 693 692 690 1.534 110.116 -111.850 -0.15400 695 H480 hc E 694 693 692 1.113 111.259 60.623 0.04100 696 H481 hc E 694 693 692 1.114 110.579 -59.532 0.06100 697 H482 hc E 694 693 692 1.115 111.421 -179.703 0.06500 698 C263 c3 3 693 692 690 1.536 111.022 126.461 -0.14800 699 H483 hc E 698 693 692 1.113 111.652 179.789 0.05400 700 H484 hc E 698 693 692 1.114 110.643 60.350 0.06700 701 H485 hc E 698 693 692 1.113 111.887 -59.867 0.05500 702 H479 h1 E 693 692 690 1.113 109.029 6.026 0.09200 703 H478 hn E 692 690 689 1.024 116.971 -8.035 0.14100 704 H477 hc E 689 686 670 1.109 107.271 -67.431 0.09600 705 C258 c3 M 689 686 670 1.539 113.942 49.648 -0.10800 706 H475 hc E 705 689 686 1.113 108.950 -177.374 0.07900 707 H476 hc E 705 689 686 1.115 108.832 -63.536 0.07100 708 C247 c3 M 705 689 686 1.538 117.335 60.032 -0.11800 709 C248 c B 708 705 689 1.527 106.886 -172.571 0.23500 710 O41 o E 709 708 705 1.208 120.924 -99.514 -0.40500 711 N41 n B 709 708 705 1.392 116.290 80.262 -0.04800 712 C249 c3 3 711 709 708 1.450 123.578 174.962 -0.02700 713 C250 c3 3 712 711 709 1.535 114.751 -48.182 -0.14200 714 H458 hc E 713 712 711 1.114 111.155 -168.471 0.04800 715 H459 hc E 713 712 711 1.113 111.989 72.470 0.07200 716 H460 hc E 713 712 711 1.114 110.508 -49.021 0.04300 717 C251 c3 3 712 711 709 1.530 111.801 79.274 -0.16600 718 H461 hc E 717 712 711 1.114 111.277 173.326 0.05100 719 H462 hc E 717 712 711 1.114 111.835 52.807 0.06300 720 H463 hc E 717 712 711 1.111 109.307 -67.513 0.06800 721 H457 h1 E 712 711 709 1.117 104.193 -164.692 0.06200 722 H456 hn E 711 709 708 1.023 116.942 -14.981 0.12800 723 H455 hc E 708 705 689 1.115 109.665 -57.771 0.07800 724 C246 c3 M 708 705 689 1.539 111.746 61.702 -0.10600 725 H453 hc E 724 708 705 1.113 107.724 -63.867 0.08200 726 H454 hc E 724 708 705 1.115 106.914 51.845 0.07900 727 C199 c3 M 724 708 705 1.542 120.116 175.512 -0.11200 728 C200 c B 727 724 708 1.526 112.364 53.929 0.24200 729 O33 o E 728 727 724 1.209 121.436 103.529 -0.40100 730 N33 n B 728 727 724 1.388 117.281 -76.707 -0.05200 731 C201 c3 3 730 728 727 1.452 121.063 171.644 -0.04300 732 C202 c3 3 731 730 728 1.536 110.515 -74.766 -0.15700 733 H370 hc E 732 731 730 1.111 111.431 -52.605 0.04500 734 H371 hc E 732 731 730 1.114 111.585 -174.076 0.05600 735 H372 hc E 732 731 730 1.113 111.031 66.287 0.06200 736 C203 c3 3 731 730 728 1.536 109.736 161.437 -0.13800 737 H373 hc E 736 731 730 1.114 111.524 -177.469 0.05600 738 H374 hc E 736 731 730 1.113 110.852 62.196 0.04600 739 H375 hc E 736 731 730 1.115 110.919 -57.292 0.05100 740 H369 h1 E 731 730 728 1.116 109.235 44.302 0.08900 741 H368 hn E 730 728 727 1.020 116.678 -1.166 0.10800 742 H367 hc E 727 724 708 1.114 108.940 -62.357 0.10100 743 C198 c3 M 727 724 708 1.550 108.997 178.566 -0.10100 744 H365 hc E 743 727 724 1.116 110.502 15.808 0.06800 745 H366 hc E 743 727 724 1.114 111.287 -97.814 0.08000 746 C271 c3 M 743 727 724 1.541 114.588 136.479 -0.10400 747 C272 c B 746 743 727 1.527 115.021 61.247 0.23500 748 O45 o E 747 746 743 1.207 119.495 -149.804 -0.39200 749 N45 n B 747 746 743 1.391 119.141 33.661 -0.06000 750 C273 c3 3 749 747 746 1.456 121.576 174.187 -0.04800 751 C274 c3 3 750 749 747 1.536 109.551 -115.688 -0.13400 752 H502 hc E 751 750 749 1.115 111.402 -179.843 0.04700 753 H503 hc E 751 750 749 1.115 110.831 60.240 0.05000 754 H504 hc E 751 750 749 1.114 111.128 -59.566 0.04300 755 C275 c3 3 750 749 747 1.535 110.509 121.877 -0.14400 756 H505 hc E 755 750 749 1.113 111.617 -178.236 0.04600 757 H506 hc E 755 750 749 1.114 110.987 61.531 0.05400 758 H507 hc E 755 750 749 1.114 110.768 -58.494 0.04500 759 H501 h1 E 750 749 747 1.116 110.790 3.099 0.09800 760 H500 hn E 749 747 746 1.023 118.007 -5.536 0.13300 761 H499 hc E 746 743 727 1.116 106.966 175.172 0.08900 762 C270 c3 M 746 743 727 1.543 109.594 -67.444 -0.13900 763 H497 hc E 762 746 743 1.105 107.602 4.356 0.06800 764 H498 hc E 762 746 743 1.110 111.897 118.076 0.10600 765 C211 c3 M 762 746 743 1.534 115.438 -114.950 -0.09000 766 C212 c B 765 762 746 1.532 113.548 -61.398 0.23200 767 O35 o E 766 765 762 1.210 118.617 146.862 -0.41800 768 N35 n B 766 765 762 1.393 120.271 -35.109 -0.06600 769 C213 c3 3 768 766 765 1.459 121.278 175.655 -0.03600 770 C214 c3 3 769 768 766 1.538 111.325 140.501 -0.16100 771 H392 hc E 770 769 768 1.113 111.042 59.458 0.07700 772 H393 hc E 770 769 768 1.114 111.264 -60.463 0.03300 773 H394 hc E 770 769 768 1.114 111.518 179.841 0.05700 774 C215 c3 3 769 768 766 1.536 110.451 -96.527 -0.14200 775 H395 hc E 774 769 768 1.115 111.300 176.082 0.04200 776 H396 hc E 774 769 768 1.115 111.005 56.346 0.04100 777 H397 hc E 774 769 768 1.114 111.392 -63.811 0.05800 778 H391 h1 E 769 768 766 1.117 109.790 22.750 0.08200 779 H390 hn E 768 766 765 1.028 117.941 5.333 0.17400 780 H389 hc E 765 762 746 1.118 106.711 54.056 0.07900 781 C210 c3 M 765 762 746 1.543 113.598 171.196 -0.10900 782 H387 hc E 781 765 762 1.108 111.244 61.833 0.07400 783 H388 hc E 781 765 762 1.115 105.334 174.351 0.07000 784 C193 c3 M 781 765 762 1.543 117.519 -67.429 -0.11100 785 C194 c B 784 781 765 1.533 110.345 -148.676 0.24200 786 O32 o E 785 784 781 1.208 119.348 132.720 -0.39200 787 N32 n B 785 784 781 1.393 118.025 -49.791 -0.06100 788 C195 c3 3 787 785 784 1.451 123.215 -169.996 -0.02000 789 C196 c3 3 788 787 785 1.535 110.427 80.693 -0.16500 790 H359 hc E 789 788 787 1.115 111.056 -64.403 0.06700 791 H360 hc E 789 788 787 1.114 111.264 175.300 0.04000 792 H361 hc E 789 788 787 1.114 111.261 55.294 0.06100 793 C197 c3 3 788 787 785 1.534 116.088 -47.828 -0.12400 794 H362 hc E 793 788 787 1.113 112.646 73.380 0.07400 795 H363 hc E 793 788 787 1.114 110.939 -48.400 0.04500 796 H364 hc E 793 788 787 1.114 110.656 -167.733 0.03400 797 H358 h1 E 788 787 785 1.118 103.802 -164.639 0.04800 798 H357 hn E 787 785 784 1.022 116.400 -6.024 0.13800 799 H356 hc E 784 781 765 1.116 104.930 -36.894 0.08800 800 C192 c3 M 784 781 765 1.550 120.599 82.698 -0.09200 801 H354 hc E 800 784 781 1.116 105.144 -176.805 0.06500 802 H355 hc E 800 784 781 1.110 113.822 -64.313 0.06900 803 C187 c3 M 800 784 781 1.539 117.970 64.920 -0.15400 804 C188 c B 803 800 784 1.525 111.249 141.931 0.24200 805 O31 o E 804 803 800 1.208 119.285 -122.929 -0.39100 806 N31 n B 804 803 800 1.392 118.999 54.092 -0.06100 807 C189 c3 3 806 804 803 1.460 118.772 -159.765 -0.05100 808 C190 c3 3 807 806 804 1.535 114.353 -78.425 -0.14900 809 H348 hc E 808 807 806 1.110 112.122 -64.512 0.03400 810 H349 hc E 808 807 806 1.115 110.999 175.770 0.04100 811 H350 hc E 808 807 806 1.113 111.539 56.611 0.08200 812 C191 c3 3 807 806 804 1.537 111.443 154.130 -0.14100 813 H351 hc E 812 807 806 1.114 111.674 179.668 0.04700 814 H352 hc E 812 807 806 1.113 111.290 59.180 0.03800 815 H353 hc E 812 807 806 1.114 110.777 -61.035 0.05200 816 H347 h1 E 807 806 804 1.115 106.426 39.797 0.10500 817 H346 hn E 806 804 803 1.026 117.641 13.952 0.12700 818 H345 hc E 803 800 784 1.105 103.817 32.175 0.11300 819 C186 c3 M 803 800 784 1.537 115.104 -86.390 -0.09900 820 H343 hc E 819 803 800 1.105 108.511 41.705 0.08800 821 H344 hc E 819 803 800 1.114 109.308 -72.731 0.07300 822 C265 c3 M 819 803 800 1.543 115.333 162.665 -0.10700 823 C266 c B 822 819 803 1.526 114.917 -36.602 0.26200 824 O44 o E 823 822 819 1.207 121.885 -35.176 -0.42100 825 N44 n B 823 822 819 1.389 116.398 148.923 -0.02200 826 C267 c3 3 825 823 822 1.450 121.083 174.341 -0.04600 827 C268 c3 3 826 825 823 1.535 109.890 -91.280 -0.14900 828 H491 hc E 827 826 825 1.114 111.399 -179.385 0.05100 829 H492 hc E 827 826 825 1.114 110.803 61.073 0.05300 830 H493 hc E 827 826 825 1.113 110.943 -58.759 0.04400 831 C269 c3 3 826 825 823 1.534 109.347 146.742 -0.14900 832 H494 hc E 831 826 825 1.114 111.497 -179.388 0.05200 833 H495 hc E 831 826 825 1.114 110.323 60.724 0.04200 834 H496 hc E 831 826 825 1.115 111.010 -59.016 0.06600 835 H490 h1 E 826 825 823 1.117 110.119 28.967 0.09900 836 H489 hn E 825 823 822 1.020 116.419 1.594 0.09900 837 H488 hc E 822 819 803 1.116 104.232 77.818 0.07300 838 C264 c3 M 822 819 803 1.549 113.920 -163.901 -0.08400 839 H486 hc E 838 822 819 1.116 107.138 -152.913 0.05500 840 H487 hc E 838 822 819 1.113 109.192 -37.880 0.07900 841 C241 c3 M 838 822 819 1.545 116.066 88.028 -0.09600 842 C242 c B 841 838 822 1.521 114.187 -66.572 0.24000 843 O40 o E 842 841 838 1.205 121.070 -47.213 -0.39800 844 N40 n B 842 841 838 1.386 123.459 136.723 -0.05400 845 C243 c3 3 844 842 841 1.452 128.065 -4.746 -0.04400 846 C244 c3 3 845 844 842 1.539 108.719 -152.564 -0.14100 847 H447 hc E 846 845 844 1.114 111.570 177.649 0.05100 848 H448 hc E 846 845 844 1.114 111.151 57.677 0.06200 849 H449 hc E 846 845 844 1.115 110.795 -62.056 0.05100 850 C245 c3 3 845 844 842 1.533 112.495 85.408 -0.16100 851 H450 hc E 850 845 844 1.114 111.651 173.237 0.05900 852 H451 hc E 850 845 844 1.111 111.048 -67.868 0.04400 853 H452 hc E 850 845 844 1.111 110.836 52.481 0.05700 854 H446 h1 E 845 844 842 1.112 110.807 -36.216 0.08800 855 H445 hn E 844 842 841 1.018 108.638 170.898 0.12400 856 H444 hc E 841 838 822 1.111 105.441 50.159 0.07700 857 C240 c3 M 841 838 822 1.547 116.349 166.251 -0.10000 858 H442 hc E 857 841 838 1.109 107.466 154.606 0.07600 859 H443 hc E 857 841 838 1.111 106.079 -92.095 0.06000 860 C205 c3 M 857 841 838 1.537 120.209 31.545 -0.09500 861 C206 c B 860 857 841 1.529 110.340 60.565 0.23700 862 O34 o E 861 860 857 1.208 119.905 63.713 -0.38000 863 N34 n B 861 860 857 1.389 117.570 -118.527 -0.02300 864 C207 c3 3 863 861 860 1.454 121.786 178.645 -0.05400 865 C208 c3 3 864 863 861 1.534 109.315 -121.970 -0.15700 866 H381 hc E 865 864 863 1.114 111.966 179.712 0.05000 867 H382 hc E 865 864 863 1.114 111.417 58.569 0.07700 868 H383 hc E 865 864 863 1.111 109.910 -60.237 0.03300 869 C209 c3 3 864 863 861 1.536 109.879 116.332 -0.13700 870 H384 hc E 869 864 863 1.114 111.429 179.328 0.04900 871 H385 hc E 869 864 863 1.114 111.099 59.045 0.03300 872 H386 hc E 869 864 863 1.114 110.807 -60.850 0.04600 873 H380 h1 E 864 863 861 1.116 110.865 -2.970 0.12700 874 H379 hn E 863 861 860 1.019 116.396 0.188 0.08600 875 H378 hc E 860 857 841 1.116 107.354 -56.682 0.08100 876 C204 c3 M 860 857 841 1.551 116.738 -177.607 -0.07300 877 H376 hc E 876 860 857 1.113 109.298 -88.537 0.07400 878 H377 hc E 876 860 857 1.116 105.465 161.471 0.05100 879 C235 c3 M 876 860 857 1.546 122.434 37.574 -0.09300 880 C236 c B 879 876 860 1.528 115.416 28.268 0.25100 881 O39 o E 880 879 876 1.209 120.007 31.474 -0.39300 882 N39 n B 880 879 876 1.392 118.751 -149.199 -0.05200 883 C237 c3 3 882 880 879 1.453 122.143 168.222 -0.04900 884 C238 c3 3 883 882 880 1.539 108.141 -115.785 -0.15300 885 H436 hc E 884 883 882 1.114 111.497 179.507 0.05500 886 H437 hc E 884 883 882 1.114 110.850 59.130 0.05300 887 H438 hc E 884 883 882 1.114 111.023 -60.141 0.05200 888 C239 c3 3 883 882 880 1.535 110.269 122.823 -0.13100 889 H439 hc E 888 883 882 1.113 111.026 59.016 0.04200 890 H440 hc E 888 883 882 1.114 110.814 -60.720 0.04900 891 H441 hc E 888 883 882 1.114 111.274 179.298 0.05200 892 H435 h1 E 883 882 880 1.117 111.047 2.626 0.09900 893 H434 hn E 882 880 879 1.018 118.234 -6.459 0.10000 894 H433 hc E 879 876 860 1.119 105.748 139.122 0.07400 895 C234 c3 M 879 876 860 1.551 113.173 -108.599 -0.10800 896 H431 hc E 895 879 876 1.113 110.328 -53.368 0.07900 897 H432 hc E 895 879 876 1.115 106.502 -166.153 0.04800 898 C229 c3 M 895 879 876 1.539 117.407 72.490 -0.12700 899 C230 c B 898 895 879 1.530 115.459 136.205 0.23600 900 O38 o E 899 898 895 1.209 118.804 -156.679 -0.40200 901 N38 n B 899 898 895 1.390 119.481 29.069 -0.03600 902 C231 c3 3 901 899 898 1.455 121.235 172.623 -0.05200 903 C232 c3 3 902 901 899 1.535 109.879 -96.071 -0.16500 904 H425 hc E 903 902 901 1.115 111.466 179.095 0.05600 905 H426 hc E 903 902 901 1.114 110.891 59.279 0.05400 906 H427 hc E 903 902 901 1.113 110.880 -60.427 0.07200 907 C233 c3 3 902 901 899 1.536 109.733 141.636 -0.12900 908 H428 hc E 907 902 901 1.114 111.293 -179.635 0.05700 909 H429 hc E 907 902 901 1.114 110.929 60.176 0.04700 910 H430 hc E 907 902 901 1.114 110.960 -59.606 0.04200 911 H424 h1 E 902 901 899 1.117 110.179 23.684 0.09500 912 H423 hn E 901 899 898 1.021 117.268 4.214 0.10600 913 H422 hc E 898 895 879 1.111 105.366 23.861 0.09700 914 C228 c3 M 898 895 879 1.544 114.980 -96.049 -0.11900 915 H420 hc E 914 898 895 1.111 111.370 46.374 0.10800 916 H421 hc E 914 898 895 1.112 107.325 158.550 0.07500 917 C223 c3 M 914 898 895 1.544 115.464 -81.041 -0.12000 918 C224 c B 917 914 898 1.533 110.082 -122.826 0.24700 919 O37 o E 918 917 914 1.210 120.871 -123.776 -0.40800 920 N37 n B 918 917 914 1.394 117.633 57.165 -0.05600 921 C225 c3 3 920 918 917 1.455 121.852 -179.420 -0.04500 922 C226 c3 3 921 920 918 1.537 109.799 -136.594 -0.13700 923 H414 hc E 922 921 920 1.115 110.877 -60.307 0.04800 924 H415 hc E 922 921 920 1.114 111.363 179.485 0.05200 925 H416 hc E 922 921 920 1.114 111.462 59.321 0.04600 926 C227 c3 3 921 920 918 1.535 110.743 101.257 -0.14800 927 H417 hc E 926 921 920 1.114 111.299 -176.287 0.05300 928 H418 hc E 926 921 920 1.113 111.067 64.040 0.04700 929 H419 hc E 926 921 920 1.114 111.092 -56.376 0.05800 930 H413 h1 E 921 920 918 1.116 110.128 -18.435 0.09500 931 H412 hn E 920 918 917 1.023 117.447 -4.794 0.12900 932 H411 hc E 917 914 898 1.110 109.411 -9.306 0.08200 933 C222 c3 M 917 914 898 1.543 112.418 108.925 -0.09200 934 H409 hc E 933 917 914 1.115 109.664 95.514 0.08400 935 H410 hc E 933 917 914 1.114 110.301 -18.240 0.06600 936 C181 c3 M 933 917 914 1.544 115.435 -139.384 -0.11100 937 C180 c3 3 936 933 917 1.540 111.053 79.899 -0.10100 938 H331 hc E 937 936 933 1.115 111.728 54.795 0.03500 939 H332 hc E 937 936 933 1.113 111.491 -66.176 0.03500 940 H333 hc E 937 936 933 1.114 111.348 173.600 0.05900 941 H334 hc E 936 933 917 1.118 107.614 -163.873 0.07700 942 C182 c M 936 933 917 1.527 115.447 -47.485 0.23800 943 O30 o E 942 936 933 1.207 120.112 130.471 -0.41200 944 N30 n M 942 936 933 1.389 118.073 -51.585 -0.04500 945 H335 hn E 944 942 936 1.023 116.833 11.890 0.13400 946 C183 c3 M 944 942 936 1.451 122.584 -177.459 -0.01900 947 C185 c3 3 946 944 942 1.535 112.882 -66.920 -0.15200 948 H340 hc E 947 946 944 1.113 110.901 -52.497 0.04900 949 H341 hc E 947 946 944 1.114 111.224 -172.147 0.04500 950 H342 hc E 947 946 944 1.113 111.852 67.919 0.06300 951 H336 h1 E 946 944 942 1.117 104.151 177.316 0.05600 952 C184 c3 M 946 944 942 1.536 113.371 61.547 -0.13300 953 H337 hc E 952 946 944 1.115 110.960 171.326 0.04300 954 H338 hc E 952 946 944 1.115 110.947 51.795 0.04100 955 H339 hc E 952 946 944 1.113 112.228 -68.893 0.06700 LOOP IMPROPER C25 N4 C26 O4 C13 N2 C14 O2 C7 N1 C8 O1 C55 N9 C56 O9 C49 N8 C50 O8 C19 N3 C20 O3 C43 N7 C44 O7 C37 N6 C38 O6 C31 N5 C32 O5 C1 N C2 O C175 N29 C176 O29 C169 N28 C170 O28 C163 N27 C164 O27 C157 N26 C158 O26 C133 N22 C134 O22 C97 N16 C98 O16 C139 N23 C140 O23 C127 N21 C128 O21 C79 N13 C80 O13 C151 N25 C152 O25 C91 N15 C92 O15 C73 N12 C74 O12 C67 N11 C68 O11 C145 N24 C146 O24 C121 N20 C122 O20 C85 N14 C86 O14 C115 N19 C116 O19 C109 N18 C110 O18 C103 N17 C104 O17 C61 N10 C62 O10 C295 N49 C296 O49 C289 N48 C290 O48 C283 N47 C284 O47 C277 N46 C278 O46 C253 N42 C254 O42 C217 N36 C218 O36 C259 N43 C260 O43 C247 N41 C248 O41 C199 N33 C200 O33 C271 N45 C272 O45 C211 N35 C212 O35 C193 N32 C194 O32 C187 N31 C188 O31 C265 N44 C266 O44 C241 N40 C242 O40 C205 N34 C206 O34 C235 N39 C236 O39 C229 N38 C230 O38 C223 N37 C224 O37 C181 N30 C182 O30 DONE STOP