atom |
|
|
|
|
|
|
1 C | 0.208346 | 0.208888 | 0.204576 | −0.000542 | 0.004312 | −0.004854 |
2 C | 0.018775 | 0.000063 | −0.016959 | 0.018712 | 0.017022 | 0.00169 |
3 C | 0.299539 | 0.292711 | 0.281844 | 0.006828 | 0.010867 | −0.004039 |
4 C | 0.046462 | 0.037318 | 0.029369 | 0.009144 | 0.007949 | 0.001195 |
5 H | 0.207505 | 0.193905 | 0.179352 | 0.0136 | 0.014553 | −0.000953 |
6 H | 0.179646 | 0.159773 | 0.139164 | 0.019873 | 0.020609 | −0.000736 |
7 C | −0.508075 | −0.50687 | −0.505302 | −0.001205 | −0.001568 | 0.000363 |
8 H | 0.19998 | 0.186173 | 0.171425 | 0.013807 | 0.014748 | −0.000941 |
9 H | 0.203598 | 0.189781 | 0.175425 | 0.013817 | 0.014356 | −0.000539 |
10 H | 0.175481 | 0.164012 | 0.151791 | 0.011469 | 0.012221 | −0.000752 |
11 N | −0.439963 | −0.453069 | −0.466947 | 0.013106 | 0.013878 | −0.000772 |
12 N | −0.458297 | −0.452885 | −0.455695 | −0.005412 | 0.00281 | −0.008222 |
13 C | 0.566855 | 0.550059 | 0.52607 | 0.016796 | 0.023989 | −0.007193 |
14 N | −0.715656 | −0.716793 | −0.707044 | 0.001137 | −0.009749 | 0.010886 |
15 C | −0.290102 | −0.360821 | −0.358308 | 0.070719 | −0.002513 | 0.073232 |
16 C | −0.47359 | −0.512709 | −0.525136 | 0.039119 | 0.012427 | 0.026692 |
17 C | −0.129222 | −0.133729 | −0.108148 | 0.004507 | −0.025581 | 0.030088 |
18 C | −0.183189 | −0.197291 | −0.202209 | 0.014102 | 0.004918 | 0.009184 |
19 C | −0.249861 | −0.251301 | −0.256756 | 0.00144 | 0.005455 | −0.004015 |
20 C | −0.023031 | −0.024674 | −0.022889 | 0.001643 | −0.001785 | 0.003428 |
21 C | −0.142764 | −0.145169 | −0.15742 | 0.002405 | 0.012251 | −0.009846 |
22 C | −0.122904 | −0.139501 | −0.136151 | 0.016597 | −0.00335 | 0.019947 |
23 H | 0.22121 | 0.195621 | 0.183868 | 0.025589 | 0.011753 | 0.013836 |