CU8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C12 | doub | 1.22Å | 1.18Å | |
| N3 | C12 | sing | 1.35Å | 1.28Å | |
| C12 | C5 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | sing | 1.41Å | 1.37Å | Aromatic |
| C5 | C | doub | 1.41Å | 1.47Å | Aromatic |
| C4 | N2 | doub | 1.31Å | 1.32Å | Aromatic |
| N1 | C | sing | 1.33Å | 1.33Å | Aromatic |
| N1 | C3 | doub | 1.32Å | 1.32Å | Aromatic |
| C | N | sing | 1.37Å | 1.28Å | Aromatic |
| N2 | N | sing | 1.40Å | 1.35Å | Aromatic |
| N | C1 | sing | 1.37Å | 1.32Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C6 | sing | 1.48Å | 1.48Å | |
| C10 | C6 | doub | 1.40Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.37Å | Aromatic |
| C11 | C9 | doub | 1.38Å | 1.36Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.36Å | Aromatic |
| C8 | C13 | sing | 1.51Å | 1.49Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C12 | N3 | 119.7° | 120.0° |
| O | C12 | C5 | 120.5° | 120.0° |
| N3 | C12 | C5 | 119.7° | 120.0° |
| C12 | N3 | H1 | 120.0° | 119.9° |
| C12 | N3 | H2 | 120.0° | 120.0° |
| C12 | C5 | C4 | 132.1° | 126.5° |
| C12 | C5 | C | 120.4° | 126.5° |
| C4 | C5 | C | 107.4° | 107.0° |
| C5 | C4 | N2 | 108.2° | 108.7° |
| C5 | C4 | H3 | 125.9° | 125.7° |
| C5 | C | N1 | 133.0° | 132.4° |
| C5 | C | N | 102.3° | 106.7° |
| C4 | N2 | N | 106.7° | 109.5° |
| N2 | C4 | H3 | 125.9° | 125.6° |
| C | N1 | C3 | 119.7° | 121.3° |
| N1 | C | N | 124.7° | 121.0° |
| N1 | C3 | C2 | 116.8° | 120.3° |
| N1 | C3 | H4 | 121.6° | 119.9° |
| C | N | N2 | 115.4° | 108.2° |
| C | N | C1 | 119.1° | 119.7° |
| N2 | N | C1 | 125.4° | 132.1° |
| N | C1 | C2 | 118.8° | 118.8° |
| N | C1 | C6 | 119.3° | 120.6° |
| C3 | C2 | C1 | 120.8° | 119.0° |
| C2 | C3 | H4 | 121.6° | 119.8° |
| C3 | C2 | H5 | 119.6° | 120.5° |
| C2 | C1 | C6 | 121.9° | 120.6° |
| C1 | C2 | H5 | 119.6° | 120.5° |
| C1 | C6 | C10 | 117.2° | 120.2° |
| C1 | C6 | C7 | 123.8° | 120.2° |
| C6 | C10 | C11 | 121.2° | 119.9° |
| C10 | C6 | C7 | 119.0° | 119.7° |
| C6 | C10 | H6 | 119.4° | 120.1° |
| C10 | C11 | C9 | 119.3° | 120.1° |
| C11 | C10 | H6 | 119.4° | 120.1° |
| C10 | C11 | H7 | 120.4° | 119.9° |
| C6 | C7 | C8 | 119.7° | 119.8° |
| C6 | C7 | H12 | 120.2° | 120.1° |
| C11 | C9 | C8 | 120.5° | 120.3° |
| C9 | C11 | H7 | 120.4° | 119.9° |
| C11 | C9 | H8 | 119.8° | 119.8° |
| C7 | C8 | C9 | 120.4° | 120.2° |
| C7 | C8 | C13 | 121.5° | 119.9° |
| C8 | C7 | H12 | 120.2° | 120.1° |
| C9 | C8 | C13 | 118.0° | 119.9° |
| C8 | C9 | H8 | 119.8° | 119.9° |
| C8 | C13 | H9 | 109.5° | 109.4° |
| C8 | C13 | H10 | 109.5° | 109.5° |
| C8 | C13 | H11 | 109.5° | 109.5° |
| H1 | N3 | H2 | 120.0° | 120.0° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H9 | C13 | H11 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C12 | N3 | C5 | 177.4° | 179.7° |
| O | C12 | C5 | C4 | 9.7° | 180.0° |
| O | C12 | C5 | C | 172.5° | 0.3° |
| O | C12 | N3 | H1 | 0.0° | 0.1° |
| O | C12 | N3 | H2 | 180.0° | 180.0° |
| N3 | C12 | C5 | C4 | 167.7° | 0.3° |
| N3 | C12 | C5 | C | 10.1° | 180.0° |
| C12 | N3 | H1 | H2 | 180.0° | 180.0° |
| C12 | C5 | C4 | C | 178.0° | 179.7° |
| C12 | C5 | C4 | N2 | 178.2° | 179.8° |
| C12 | C5 | C | N1 | 2.3° | 0.1° |
| C12 | C5 | C | N | 179.2° | 180.0° |
| C5 | C12 | N3 | H1 | 177.4° | 179.7° |
| C5 | C12 | N3 | H2 | 2.6° | 0.3° |
| C12 | C5 | C4 | H3 | 1.8° | 0.0° |
| C5 | C4 | N2 | H3 | 180.0° | 179.9° |
| C4 | C5 | C | N1 | 179.3° | 179.7° |
| C4 | C5 | C | N | 0.8° | 0.2° |
| C5 | C4 | N2 | N | 0.6° | 0.4° |
| C | C5 | C4 | N2 | 0.1° | 0.4° |
| C5 | C | N1 | N | 178.2° | 179.9° |
| C5 | C | N1 | C3 | 179.6° | 180.0° |
| C5 | C | N | N2 | 1.3° | 0.0° |
| C5 | C | N | C1 | 179.9° | 180.0° |
| C | C5 | C4 | H3 | 179.9° | 179.7° |
| C4 | N2 | N | C | 1.3° | 0.3° |
| C4 | N2 | N | C1 | 180.0° | 179.7° |
| N1 | C | N | N2 | 180.0° | 179.9° |
| N1 | C | N | C1 | 1.3° | 0.1° |
| C | N1 | C3 | C2 | 0.8° | 0.1° |
| C | N1 | C3 | H4 | 179.2° | 179.9° |
| C3 | N1 | C | N | 1.3° | 0.1° |
| N1 | C3 | C2 | H4 | 180.0° | 180.0° |
| N1 | C3 | C2 | C1 | 0.2° | 0.0° |
| N1 | C3 | C2 | H5 | 179.8° | 180.0° |
| C | N | N2 | C1 | 178.7° | 180.0° |
| C | N | C1 | C2 | 0.6° | 0.0° |
| C | N | C1 | C6 | 178.7° | 180.0° |
| N2 | N | C1 | C2 | 179.3° | 180.0° |
| N2 | N | C1 | C6 | 0.1° | 0.0° |
| N | N2 | C4 | H3 | 179.4° | 179.7° |
| N | C1 | C2 | C3 | 0.2° | 0.1° |
| N | C1 | C2 | C6 | 179.3° | 180.0° |
| N | C1 | C6 | C10 | 54.7° | 65.3° |
| N | C1 | C6 | C7 | 126.2° | 115.0° |
| N | C1 | C2 | H5 | 179.9° | 180.0° |
| C3 | C2 | C1 | H5 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 179.2° | 180.0° |
| C2 | C1 | C6 | C10 | 124.7° | 114.7° |
| C2 | C1 | C6 | C7 | 54.5° | 65.1° |
| C1 | C2 | C3 | H4 | 179.8° | 180.0° |
| C1 | C6 | C10 | C7 | 179.2° | 179.7° |
| C1 | C6 | C10 | C11 | 179.7° | 180.0° |
| C1 | C6 | C7 | C8 | 179.3° | 179.7° |
| C6 | C1 | C2 | H5 | 0.8° | 0.0° |
| C1 | C6 | C10 | H6 | 0.2° | 0.1° |
| C1 | C6 | C7 | H12 | 0.7° | 0.1° |
| C6 | C10 | C11 | H6 | 180.0° | 179.9° |
| C6 | C10 | C11 | C9 | 0.0° | 0.0° |
| C10 | C6 | C7 | C8 | 1.5° | 0.6° |
| C6 | C10 | C11 | H7 | 180.0° | 180.0° |
| C10 | C6 | C7 | H12 | 178.5° | 179.7° |
| C11 | C10 | C6 | C7 | 1.1° | 0.3° |
| C10 | C11 | C9 | H7 | 180.0° | 180.0° |
| C10 | C11 | C9 | C8 | 0.5° | 0.0° |
| C10 | C11 | C9 | H8 | 179.5° | 180.0° |
| C6 | C7 | C8 | H12 | 180.0° | 179.8° |
| C6 | C7 | C8 | C9 | 1.0° | 0.6° |
| C6 | C7 | C8 | C13 | 179.6° | 179.7° |
| C7 | C6 | C10 | H6 | 179.0° | 179.8° |
| C11 | C9 | C8 | C7 | 0.0° | 0.3° |
| C11 | C9 | C8 | H8 | 180.0° | 180.0° |
| C11 | C9 | C8 | C13 | 178.6° | 180.0° |
| C9 | C11 | C10 | H6 | 180.0° | 179.9° |
| C7 | C8 | C9 | C13 | 178.6° | 179.7° |
| C7 | C8 | C9 | H8 | 179.9° | 179.7° |
| C7 | C8 | C13 | H9 | 90.8° | 89.7° |
| C7 | C8 | C13 | H10 | 149.3° | 30.3° |
| C7 | C8 | C13 | H11 | 29.2° | 150.3° |
| C8 | C9 | C11 | H7 | 179.5° | 180.0° |
| C9 | C8 | C13 | H9 | 90.6° | 90.0° |
| C9 | C8 | C13 | H10 | 29.4° | 150.0° |
| C9 | C8 | C13 | H11 | 149.4° | 30.0° |
| C9 | C8 | C7 | H12 | 179.0° | 179.6° |
| C13 | C8 | C9 | H8 | 1.4° | 0.0° |
| C8 | C13 | H9 | H10 | 120.0° | 120.0° |
| C8 | C13 | H9 | H11 | 120.0° | 120.0° |
| C8 | C13 | H10 | H11 | 120.0° | 120.0° |
| C13 | C8 | C7 | H12 | 0.4° | 0.1° |
| H4 | C3 | C2 | H5 | 0.2° | 0.0° |
| H6 | C10 | C11 | H7 | 0.0° | 0.1° |
| H7 | C11 | C9 | H8 | 0.5° | 0.0° |
| H9 | C13 | H10 | H11 | 120.0° | 120.0° |
