Atom |
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1C | 0.426 | 0.475 | 0.525 | −0.049 | −0.050 | −0.019 | −0.020 |
2C | 0.223 | 0.231 | 0.261 | −0.008 | −0.030 | −0.003 | −0.012 |
3N | −0.597 | −0.508 | −0.595 | −0.089 | 0.087 | −0.035 | 0.034 |
4C | 0.770 | 0.789 | 0.808 | −0.019 | −0.019 | −0.008 | −0.008 |
5O | −0.583 | −0.528 | −0.450 | −0.055 | −0.078 | −0.022 | −0.031 |
6N | −0.578 | −0.591 | −0.594 | 0.013 | 0.003 | 0.005 | 0.001 |
7C | −0.151 | −0.171 | −0.187 | 0.020 | 0.016 | 0.008 | 0.006 |
11C | 0.552 | 0.655 | 0.682 | −0.103 | −0.027 | −0.041 | −0.011 |
12O | −0.609 | −0.542 | −0.488 | −0.067 | −0.054 | −0.027 | −0.021 |
13N | −0.522 | −0.506 | −0.537 | −0.016 | 0.031 | −0.006 | 0.012 |
14C | 0.208 | 0.286 | 0.323 | −0.078 | −0.037 | −0.031 | −0.015 |
15N | −0.551 | −0.525 | −0.484 | −0.026 | −0.041 | −0.010 | −0.016 |
16C | −0.051 | −0.097 | −0.086 | 0.046 | −0.011 | 0.018 | −0.004 |
19C | −0.324 | −0.322 | −0.401 | −0.002 | 0.079 | −0.001 | 0.031 |
22S | 0.039 | 0.111 | 0.293 | −0.072 | −0.182 | −0.029 | −0.072 |
23C | −0.146 | −0.136 | −0.117 | −0.010 | −0.019 | −0.004 | −0.008 |
24C | −0.094 | −0.082 | −0.083 | −0.012 | 0.001 | −0.005 | 0.000 |
25C | −0.093 | −0.084 | −0.085 | −0.009 | 0.001 | −0.004 | 0.000 |
26C | −0.080 | −0.077 | −0.069 | −0.003 | −0.008 | −0.001 | −0.003 |
28C | −0.082 | −0.078 | −0.069 | −0.004 | −0.009 | −0.002 | −0.004 |
30C | −0.118 | 0.085 | −0.069 | −0.203 | 0.154 | −0.080 | 0.061 |
34C | −0.163 | −0.177 | −0.196 | 0.014 | 0.019 | 0.006 | 0.008 |