35N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CU | NA | sing | 1.99Å | 1.88Å | |
| CU | NB | sing | 1.99Å | 1.92Å | |
| CU | NC | sing | 1.99Å | 1.88Å | |
| CU | ND | sing | 2.00Å | 1.92Å | |
| NA | C1A | sing | 1.37Å | 1.38Å | Aromatic |
| NA | C4A | sing | 1.37Å | 1.37Å | Aromatic |
| C1A | C2A | doub | 1.35Å | 1.43Å | Aromatic |
| C2A | C3A | sing | 1.41Å | 1.34Å | Aromatic |
| C3A | C4A | doub | 1.35Å | 1.43Å | Aromatic |
| NB | C1B | sing | 1.37Å | 1.38Å | Aromatic |
| NB | C4B | sing | 1.37Å | 1.38Å | Aromatic |
| C1B | C2B | doub | 1.35Å | 1.43Å | Aromatic |
| C2B | C3B | sing | 1.41Å | 1.34Å | Aromatic |
| C3B | C4B | doub | 1.35Å | 1.43Å | Aromatic |
| NC | C1C | sing | 1.37Å | 1.38Å | Aromatic |
| NC | C4C | sing | 1.37Å | 1.38Å | Aromatic |
| C1C | C2C | doub | 1.35Å | 1.43Å | Aromatic |
| C2C | C3C | sing | 1.41Å | 1.34Å | Aromatic |
| C3C | C4C | doub | 1.35Å | 1.43Å | Aromatic |
| ND | C1D | sing | 1.37Å | 1.37Å | Aromatic |
| ND | C4D | sing | 1.37Å | 1.38Å | Aromatic |
| C1D | C2D | doub | 1.35Å | 1.43Å | Aromatic |
| C2D | C3D | sing | 1.41Å | 1.34Å | Aromatic |
| C3D | C4D | doub | 1.35Å | 1.43Å | Aromatic |
| C1A | HAN | sing | 0.94Å | 1.08Å | |
| C2A | H1 | sing | 0.94Å | 1.08Å | |
| C3A | H2 | sing | 0.94Å | 1.08Å | |
| C4A | HBN | sing | 0.94Å | 1.08Å | |
| C1B | H3 | sing | 0.94Å | 1.08Å | |
| C2B | H4 | sing | 0.94Å | 1.08Å | |
| C3B | H5 | sing | 0.94Å | 1.08Å | |
| C4B | H6 | sing | 0.94Å | 1.08Å | |
| C1C | HCN | sing | 0.94Å | 1.08Å | |
| C2C | H7 | sing | 0.94Å | 1.08Å | |
| C3C | H8 | sing | 0.94Å | 1.08Å | |
| C4C | HDN | sing | 0.94Å | 1.08Å | |
| C1D | H9 | sing | 0.94Å | 1.08Å | |
| C2D | H10 | sing | 0.94Å | 1.08Å | |
| C3D | H11 | sing | 0.94Å | 1.08Å | |
| C4D | H12 | sing | 0.94Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NA | CU | NB | 90.1° | 89.5° |
| NA | CU | NC | 179.5° | 165.3° |
| NA | CU | ND | 89.8° | 94.7° |
| CU | NA | C1A | 128.1° | 126.9° |
| CU | NA | C4A | 128.2° | 125.4° |
| NB | CU | NC | 89.9° | 89.7° |
| NB | CU | ND | 179.9° | 167.5° |
| CU | NB | C1B | 127.6° | 126.7° |
| CU | NB | C4B | 127.6° | 125.7° |
| NC | CU | ND | 90.2° | 89.2° |
| CU | NC | C1C | 128.2° | 127.2° |
| CU | NC | C4C | 128.1° | 125.1° |
| CU | ND | C1D | 127.4° | 128.2° |
| CU | ND | C4D | 128.0° | 124.4° |
| C1A | NA | C4A | 103.7° | 107.6° |
| NA | C1A | C2A | 111.6° | 108.8° |
| NA | C1A | HAN | 124.2° | 125.3° |
| NA | C4A | C3A | 111.3° | 108.8° |
| NA | C4A | HBN | 124.4° | 125.3° |
| C1A | C2A | C3A | 106.5° | 107.4° |
| C2A | C1A | HAN | 124.2° | 126.0° |
| C1A | C2A | H1 | 126.7° | 127.0° |
| C2A | C3A | C4A | 106.9° | 107.4° |
| C3A | C2A | H1 | 126.7° | 125.6° |
| C2A | C3A | H2 | 126.5° | 125.6° |
| C4A | C3A | H2 | 126.6° | 127.0° |
| C3A | C4A | HBN | 124.3° | 125.9° |
| C1B | NB | C4B | 104.9° | 107.6° |
| NB | C1B | C2B | 110.3° | 108.7° |
| NB | C1B | H3 | 124.9° | 125.3° |
| NB | C4B | C3B | 110.5° | 108.8° |
| NB | C4B | H6 | 124.7° | 125.3° |
| C1B | C2B | C3B | 107.3° | 107.4° |
| C2B | C1B | H3 | 124.8° | 125.9° |
| C1B | C2B | H4 | 126.3° | 126.9° |
| C2B | C3B | C4B | 107.0° | 107.4° |
| C3B | C2B | H4 | 126.3° | 125.6° |
| C2B | C3B | H5 | 126.5° | 125.6° |
| C4B | C3B | H5 | 126.5° | 127.0° |
| C3B | C4B | H6 | 124.7° | 125.9° |
| C1C | NC | C4C | 103.6° | 107.7° |
| NC | C1C | C2C | 111.4° | 108.7° |
| NC | C1C | HCN | 124.3° | 125.3° |
| NC | C4C | C3C | 111.4° | 108.8° |
| NC | C4C | HDN | 124.3° | 125.3° |
| C1C | C2C | C3C | 106.8° | 107.5° |
| C2C | C1C | HCN | 124.3° | 126.0° |
| C1C | C2C | H7 | 126.6° | 127.0° |
| C2C | C3C | C4C | 106.8° | 107.4° |
| C3C | C2C | H7 | 126.6° | 125.6° |
| C2C | C3C | H8 | 126.6° | 125.7° |
| C4C | C3C | H8 | 126.6° | 126.9° |
| C3C | C4C | HDN | 124.3° | 126.0° |
| C1D | ND | C4D | 104.6° | 107.4° |
| ND | C1D | C2D | 110.4° | 108.8° |
| ND | C1D | H9 | 124.8° | 125.5° |
| ND | C4D | C3D | 110.9° | 108.9° |
| ND | C4D | H12 | 124.5° | 125.2° |
| C1D | C2D | C3D | 107.2° | 107.5° |
| C2D | C1D | H9 | 124.8° | 125.7° |
| C1D | C2D | H10 | 126.4° | 127.0° |
| C2D | C3D | C4D | 106.9° | 107.4° |
| C3D | C2D | H10 | 126.4° | 125.5° |
| C2D | C3D | H11 | 126.5° | 125.7° |
| C4D | C3D | H11 | 126.5° | 126.9° |
| C3D | C4D | H12 | 124.6° | 125.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NA | CU | NB | NC | 179.5° | 165.4° |
| NA | CU | NB | ND | 15.3° | 109.7° |
| NA | CU | NC | ND | 91.6° | 105.6° |
| CU | NA | C1A | C4A | 180.0° | 175.8° |
| CU | NA | C1A | C2A | 179.8° | 175.6° |
| CU | NA | C4A | C3A | 179.8° | 175.8° |
| NA | CU | NB | C1B | 0.5° | 104.8° |
| NA | CU | NB | C4B | 179.9° | 77.1° |
| NA | CU | NC | C1C | 88.4° | 151.7° |
| NA | CU | NC | C4C | 91.7° | 27.0° |
| NA | CU | ND | C1D | 179.8° | 29.2° |
| NA | CU | ND | C4D | 0.4° | 151.0° |
| CU | NA | C1A | HAN | 0.2° | 4.1° |
| CU | NA | C4A | HBN | 0.2° | 4.1° |
| NB | CU | NC | ND | 180.0° | 167.5° |
| NB | CU | NA | C1A | 180.0° | 67.5° |
| NB | CU | NA | C4A | 0.0° | 107.6° |
| CU | NB | C1B | C4B | 179.5° | 178.3° |
| CU | NB | C1B | C2B | 178.6° | 178.2° |
| CU | NB | C4B | C3B | 178.6° | 178.2° |
| NB | CU | NC | C1C | 0.0° | 64.8° |
| NB | CU | NC | C4C | 179.9° | 113.9° |
| NB | CU | ND | C1D | 164.8° | 138.3° |
| NB | CU | ND | C4D | 14.9° | 41.8° |
| CU | NB | C1B | H3 | 1.4° | 1.7° |
| CU | NB | C4B | H6 | 1.4° | 1.6° |
| NC | CU | NA | C1A | 91.6° | 154.4° |
| NC | CU | NA | C4A | 88.4° | 20.7° |
| NC | CU | NB | C1B | 180.0° | 60.5° |
| NC | CU | NB | C4B | 0.6° | 117.5° |
| CU | NC | C1C | C4C | 179.9° | 178.8° |
| CU | NC | C1C | C2C | 179.9° | 178.8° |
| CU | NC | C4C | C3C | 179.9° | 178.8° |
| NC | CU | ND | C1D | 0.4° | 136.7° |
| NC | CU | ND | C4D | 179.9° | 43.2° |
| CU | NC | C1C | HCN | 0.1° | 1.1° |
| CU | NC | C4C | HDN | 0.1° | 1.1° |
| ND | CU | NA | C1A | 0.0° | 100.7° |
| ND | CU | NA | C4A | 179.9° | 84.2° |
| ND | CU | NB | C1B | 14.8° | 145.5° |
| ND | CU | NB | C4B | 164.6° | 32.5° |
| ND | CU | NC | C1C | 180.0° | 102.8° |
| ND | CU | NC | C4C | 0.1° | 78.6° |
| CU | ND | C1D | C4D | 179.8° | 179.9° |
| CU | ND | C1D | C2D | 179.1° | 179.8° |
| CU | ND | C4D | C3D | 179.1° | 179.9° |
| CU | ND | C1D | H9 | 1.0° | 0.1° |
| CU | ND | C4D | H12 | 0.9° | 0.0° |
| NA | C1A | C2A | HAN | 180.0° | 179.7° |
| NA | C1A | C2A | C3A | 0.2° | 0.2° |
| C1A | NA | C4A | C3A | 0.2° | 0.1° |
| NA | C1A | C2A | H1 | 179.8° | 180.0° |
| C1A | NA | C4A | HBN | 179.8° | 180.0° |
| C4A | NA | C1A | C2A | 0.2° | 0.2° |
| NA | C4A | C3A | C2A | 0.1° | 0.0° |
| NA | C4A | C3A | HBN | 180.0° | 179.9° |
| C4A | NA | C1A | HAN | 179.8° | 179.9° |
| NA | C4A | C3A | H2 | 179.9° | 180.0° |
| C1A | C2A | C3A | H1 | 180.0° | 179.9° |
| C1A | C2A | C3A | C4A | 0.0° | 0.1° |
| C1A | C2A | C3A | H2 | 179.9° | 179.9° |
| C2A | C3A | C4A | H2 | 180.0° | 180.0° |
| C3A | C2A | C1A | HAN | 179.8° | 179.9° |
| C2A | C3A | C4A | HBN | 179.9° | 179.9° |
| C4A | C3A | C2A | H1 | 180.0° | 179.9° |
| NB | C1B | C2B | H3 | 180.0° | 179.9° |
| NB | C1B | C2B | C3B | 0.6° | 0.0° |
| C1B | NB | C4B | C3B | 0.9° | 0.1° |
| NB | C1B | C2B | H4 | 179.4° | 180.0° |
| C1B | NB | C4B | H6 | 179.1° | 179.9° |
| C4B | NB | C1B | C2B | 0.9° | 0.1° |
| NB | C4B | C3B | C2B | 0.5° | 0.1° |
| NB | C4B | C3B | H6 | 180.0° | 179.8° |
| C4B | NB | C1B | H3 | 179.1° | 180.0° |
| NB | C4B | C3B | H5 | 179.4° | 180.0° |
| C1B | C2B | C3B | H4 | 180.0° | 180.0° |
| C1B | C2B | C3B | C4B | 0.0° | 0.0° |
| C1B | C2B | C3B | H5 | 180.0° | 180.0° |
| C2B | C3B | C4B | H5 | 180.0° | 179.9° |
| C3B | C2B | C1B | H3 | 179.4° | 180.0° |
| C2B | C3B | C4B | H6 | 179.4° | 179.9° |
| C4B | C3B | C2B | H4 | 180.0° | 179.9° |
| NC | C1C | C2C | HCN | 180.0° | 179.9° |
| NC | C1C | C2C | C3C | 0.1° | 0.0° |
| C1C | NC | C4C | C3C | 0.2° | 0.0° |
| NC | C1C | C2C | H7 | 179.9° | 179.9° |
| C1C | NC | C4C | HDN | 179.8° | 180.0° |
| C4C | NC | C1C | C2C | 0.2° | 0.0° |
| NC | C4C | C3C | C2C | 0.2° | 0.0° |
| NC | C4C | C3C | HDN | 180.0° | 180.0° |
| C4C | NC | C1C | HCN | 179.9° | 180.0° |
| NC | C4C | C3C | H8 | 179.9° | 179.9° |
| C1C | C2C | C3C | H7 | 180.0° | 180.0° |
| C1C | C2C | C3C | C4C | 0.1° | 0.0° |
| C1C | C2C | C3C | H8 | 180.0° | 180.0° |
| C2C | C3C | C4C | H8 | 180.0° | 180.0° |
| C3C | C2C | C1C | HCN | 180.0° | 179.9° |
| C2C | C3C | C4C | HDN | 179.8° | 180.0° |
| C4C | C3C | C2C | H7 | 179.9° | 180.0° |
| ND | C1D | C2D | H9 | 180.0° | 180.0° |
| ND | C1D | C2D | C3D | 0.5° | 0.0° |
| C1D | ND | C4D | C3D | 0.7° | 0.0° |
| ND | C1D | C2D | H10 | 179.5° | 180.0° |
| C1D | ND | C4D | H12 | 179.3° | 179.9° |
| C4D | ND | C1D | C2D | 0.7° | 0.0° |
| ND | C4D | C3D | C2D | 0.5° | 0.0° |
| ND | C4D | C3D | H12 | 180.0° | 179.9° |
| C4D | ND | C1D | H9 | 179.2° | 180.0° |
| ND | C4D | C3D | H11 | 179.5° | 180.0° |
| C1D | C2D | C3D | H10 | 180.0° | 180.0° |
| C1D | C2D | C3D | C4D | 0.0° | 0.0° |
| C1D | C2D | C3D | H11 | 180.0° | 180.0° |
| C2D | C3D | C4D | H11 | 180.0° | 180.0° |
| C3D | C2D | C1D | H9 | 179.5° | 180.0° |
| C2D | C3D | C4D | H12 | 179.5° | 179.9° |
| C4D | C3D | C2D | H10 | 180.0° | 180.0° |
| HAN | C1A | C2A | H1 | 0.2° | 0.2° |
| H1 | C2A | C3A | H2 | 0.1° | 0.0° |
| H2 | C3A | C4A | HBN | 0.1° | 0.1° |
| H3 | C1B | C2B | H4 | 0.6° | 0.1° |
| H4 | C2B | C3B | H5 | 0.0° | 0.0° |
| H5 | C3B | C4B | H6 | 0.6° | 0.2° |
| HCN | C1C | C2C | H7 | 0.0° | 0.0° |
| H7 | C2C | C3C | H8 | 0.0° | 0.0° |
| H8 | C3C | C4C | HDN | 0.1° | 0.0° |
| H9 | C1D | C2D | H10 | 0.5° | 0.0° |
| H10 | C2D | C3D | H11 | 0.0° | 0.1° |
| H11 | C3D | C4D | H12 | 0.5° | 0.1° |
