atom | charge |
|
|
|
C1 | +0.634 | −0.153 | 0.008 | −0.161 |
C2 | +0.469 | −0.2 | −0.064 | −0.136 |
C3 | +0.837 | 0.001 | 0 | 0.001 |
N1 | −0.408 | −0.018 | −0.053 | 0.035 |
N2 | −0.480 | −0.022 | −0.013 | −0.009 |
C4 | +0.124 | −0.022 | −0.141 | 0.119 |
N3 | −0.348 | −0.013 | −0.086 | 0.073 |
C5 | +0.826 | −0.016 | −0.009 | −0.007 |
N4 | −0.426 | −0.013 | −0.034 | 0.021 |
O1 | −0.510 | −0.135 | −0.106 | −0.029 |
O2 | −0.536 | −0.066 | −0.100 | 0.034 |
O3 | −0.482 | −0.068 | −0.166 | 0.098 |
C6 | −0.480 | 0.011 | 0.009 | 0.002 |
C7 | −0.491 | 0.014 | 0.014 | 0 |
C8 | −0.490 | 0.015 | 0.014 | 0.001 |
C9 | −0.484 | 0.013 | 0.019 | −0.006 |