| 24 H | 0.261884 | 0.244926 | 0.231297 | 0.016958 | 0.013629 | 0.003329 |
| 25 H | 0.156373 | 0.126335 | 0.09537 | 0.030038 | 0.030965 | −0.000927 |
| 26 H | 0.110749 | 0.0851 | 0.076219 | 0.025649 | 0.008881 | 0.016768 |
| 27 S | 0.959989 | 0.876878 | 0.867798 | 0.083111 | 0.00908 | 0.074031 |
| 28 O | −0.42091 | −0.440891 | −0.569464 | 0.019981 | 0.128573 | −0.108592 |
| 29 O | −0.277043 | −0.296304 | −0.407131 | 0.019261 | 0.110827 | −0.091566 |
| 30 N | −0.740276 | −0.734225 | −0.739524 | −0.006051 | 0.005299 | −0.01135 |
| 31 N | −0.589541 | −0.591615 | −0.606433 | 0.002074 | 0.014818 | −0.012744 |
| 32 C | −0.385574 | −0.384124 | −0.375045 | −0.00145 | −0.009079 | 0.007629 |
| 33 C | −0.388768 | −0.412243 | −0.378436 | 0.023475 | −0.033807 | 0.057282 |
| 34 C | −0.351337 | −0.339421 | −0.332062 | −0.011916 | −0.007359 | −0.004557 |
| 35 C | −0.080538 | −0.069386 | −0.049977 | −0.011152 | −0.019409 | 0.008257 |
| 36 C | −0.38439 | −0.41688 | −0.427258 | 0.03249 | 0.010378 | 0.022112 |
| 37 C | −0.465385 | −0.413441 | −0.402988 | −0.051944 | −0.010453 | −0.041491 |
| 38 H | 0.226975 | 0.158072 | 0.121962 | 0.068903 | 0.03611 | 0.032793 |
| 39 H | 0.255492 | 0.238187 | 0.178572 | 0.017305 | 0.059615 | −0.04231 |
| 40 H | 0.284047 | 0.268848 | 0.258813 | 0.015199 | 0.010035 | 0.005164 |
| 41 H | 0.224858 | 0.200597 | 0.172862 | 0.024261 | 0.027735 | −0.003474 |
| 42 H | 0.210272 | 0.19969 | 0.154518 | 0.010582 | 0.045172 | −0.03459 |
| 43 H | 0.229828 | 0.177035 | 0.145283 | 0.052793 | 0.031752 | 0.021041 |
| 44 O | −0.473515 | −0.507872 | −0.53313 | 0.034357 | 0.025258 | 0.009099 |
| 45 C | 0.762382 | 0.752213 | 0.720396 | 0.010169 | 0.031817 | −0.021648 |
| 46 O | −0.361116 | −0.366697 | −0.420921 | 0.005581 | 0.054224 | −0.048643 |
| 47 H | 0.302082 | 0.288121 | 0.27532 | 0.013961 | 0.012801 | 0.00116 |
| 48 H | 0.325926 | 0.309066 | 0.302239 | 0.01686 | 0.006827 | 0.010033 |
| 49 H | 0.374759 | 0.352216 | 0.322813 | 0.022543 | 0.029403 | −0.00686 |
| 50 H | 0.315871 | 0.270019 | 0.247632 | 0.045852 | 0.022387 | 0.023465 |
| 51 H | 0.284414 | 0.27008 | 0.219931 | 0.014334 | 0.050149 | −0.035815 |
| 52 H | 0.245043 | 0.207025 | 0.198159 | 0.038018 | 0.008866 | 0.029152 |
| 53 H | 0.262695 | 0.219802 | 0.189433 | 0.042893 | 0.030369 | 0.012524 |
| 54 H | 0.236591 | 0.224992 | 0.166835 | 0.011599 | 0.058157 | −0.046558 |
| 54 H | 0.236591 | 0.154992 | 0.166835 | 0.081599 | −0.011843 | 0.093442 |
| 55 H | 0.248014 | 0.232249 | 0.242516 | 0.015765 | −0.010267 | 0.026032 |
| 56 H | 0.357349 | 0.350258 | 0.316311 | 0.007091 | 0.033947 | −0.026856 |
| 57 H | 0.34124 | 0.326146 | 0.304971 | 0.015094 | 0.021175 | −0.006081 |
| 58 H | 0.400817 | 0.381752 | 0.369194 | 0.019065 | 0.012558 | 0.006507 |