Atom | (M) | (N) | (M) | (M) | (H) | (H) |
1 O | 2.89 | 3.66 | 0.0347 | 0.0000 | 0.0366 | 0.0000 |
7 O | −16.41 | −15.13 | 0.0000 | 0.2070 | 0.0000 | 0.1927 |
8 N | 1.24 | 1.51 | 0.0020 | 0.0000 | 0.0088 | 0.0000 |
12 N | −2.17 | −1.95 | 0.0000 | 0.0328 | 0.0000 | 0.0246 |
16 C | 2.28 | 0.31 | 0.0275 | 0.0000 | 0.0233 | 0.0000 |
19 C | 5.74 | 3.94 | 0.0670 | 0.0000 | 0.0566 | 0.0000 |
20 C | 1.95 | 0.68 | −0.0068 | 0.0000 | 0.0258 | 0.0000 |
22 C | 16.48 | 9.77 | 0.2391 | 0.0000 | 0.1465 | 0.0000 |
23 C | 1.55 | 1.74 | 0.0151 | 0.0000 | 0.0118 | 0.0000 |
25 C | 22.74 | 20.32 | 0.3209 | 0.0000 | 0.2011 | 0.0000 |
27 C | −1.92 | −0.43 | 0.0000 | 0.0174 | 0.0000 | 0.0251 |
28 C | −1.20 | −2.31 | 0.0000 | −0.0331 | 0.0000 | 0.0240 |
29 C | 20.17 | 17.13 | 0.2860 | 0.0000 | 0.1837 | 0.0000 |
31 C | −24.58 | −20.24 | 0.0000 | 0.4101 | 0.0000 | 0.2325 |
33 C | 17.36 | 12.95 | 0.2005 | 0.0000 | 0.1483 | 0.0000 |
36 C | −5.57 | −3.43 | 0.0000 | −0.0296 | 0.0000 | 0.0395 |
37 C | −5.02 | −2.65 | 0.0000 | −0.0423 | 0.0000 | 0.0324 |
38 C | −10.13 | −8.39 | 0.0000 | 0.0953 | 0.0000 | 0.0927 |
39 C | −11.33 | −9.63 | 0.0000 | 0.1159 | 0.0000 | 0.1052 |
40 C | −18.27 | −12.77 | 0.0000 | 0.2203 | 0.0000 | 0.1863 |