62O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N16 | C15 | doub | 1.31Å | 1.35Å | Aromatic |
| N16 | N13 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C12 | sing | 1.39Å | 1.35Å | Aromatic |
| N13 | C10 | sing | 1.37Å | 1.31Å | Aromatic |
| C12 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | N3 | sing | 1.37Å | 1.36Å | Aromatic |
| C7 | N5 | doub | 1.31Å | 1.31Å | Aromatic |
| N3 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | C2 | sing | 1.36Å | 1.36Å | Aromatic |
| C1 | C2 | doub | 1.41Å | 1.41Å | Aromatic |
| C1 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | O11 | sing | 1.43Å | 1.44Å | |
| C6 | C9 | doub | 1.37Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | O11 | sing | 1.36Å | 1.36Å | |
| C9 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| N13 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N16 | N13 | 108.9° | 108.8° |
| N16 | C15 | C12 | 107.4° | 108.7° |
| N16 | C15 | H6 | 126.3° | 125.7° |
| N16 | N13 | C10 | 107.3° | 107.7° |
| N16 | N13 | H11 | 126.3° | 126.2° |
| C15 | C12 | C10 | 108.0° | 107.7° |
| C15 | C12 | H2 | 126.0° | 126.1° |
| C12 | C15 | H6 | 126.3° | 125.6° |
| N13 | C10 | C12 | 108.3° | 107.1° |
| N13 | C10 | C7 | 125.3° | 126.5° |
| C10 | N13 | H11 | 126.3° | 126.1° |
| C12 | C10 | C7 | 126.4° | 126.4° |
| C10 | C12 | H2 | 126.0° | 126.2° |
| C10 | C7 | N3 | 123.4° | 125.1° |
| C10 | C7 | N5 | 126.3° | 125.2° |
| N3 | C7 | N5 | 110.3° | 109.7° |
| C7 | N3 | C1 | 107.0° | 107.2° |
| C7 | N3 | H7 | 126.5° | 126.4° |
| C7 | N5 | C2 | 109.4° | 109.6° |
| N3 | C1 | C2 | 106.6° | 106.2° |
| N3 | C1 | C4 | 133.2° | 133.9° |
| C1 | N3 | H7 | 126.5° | 126.4° |
| N5 | C2 | C1 | 106.6° | 107.3° |
| N5 | C2 | C6 | 134.0° | 133.2° |
| C2 | C1 | C4 | 120.2° | 119.9° |
| C1 | C2 | C6 | 119.4° | 119.5° |
| C1 | C4 | C8 | 120.0° | 119.6° |
| C1 | C4 | H8 | 120.0° | 120.2° |
| C2 | C6 | C9 | 119.9° | 120.0° |
| C2 | C6 | H10 | 120.0° | 120.0° |
| C4 | C8 | C9 | 120.0° | 120.4° |
| C4 | C8 | O11 | 118.7° | 119.8° |
| C8 | C4 | H8 | 120.0° | 120.2° |
| C14 | O11 | C8 | 120.2° | 117.0° |
| O11 | C14 | H3 | 109.5° | 109.5° |
| O11 | C14 | H4 | 109.5° | 109.5° |
| O11 | C14 | H5 | 109.5° | 109.5° |
| C6 | C9 | C8 | 120.5° | 120.6° |
| C6 | C9 | H1 | 119.7° | 119.7° |
| C9 | C6 | H10 | 120.1° | 120.0° |
| C9 | C8 | O11 | 121.2° | 119.8° |
| C8 | C9 | H1 | 119.7° | 119.7° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H3 | C14 | H5 | 109.4° | 109.5° |
| H4 | C14 | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N16 | C15 | C12 | H6 | 180.0° | 180.0° |
| C15 | N16 | N13 | C10 | 0.5° | 0.4° |
| N16 | C15 | C12 | C10 | 0.8° | 0.0° |
| N16 | C15 | C12 | H2 | 179.2° | 180.0° |
| C15 | N16 | N13 | H11 | 179.4° | 179.7° |
| N13 | N16 | C15 | C12 | 0.8° | 0.3° |
| N16 | N13 | C10 | H11 | 180.0° | 179.8° |
| N16 | N13 | C10 | C12 | 0.1° | 0.4° |
| N16 | N13 | C10 | C7 | 180.0° | 179.9° |
| N13 | N16 | C15 | H6 | 179.2° | 179.8° |
| C15 | C12 | C10 | N13 | 0.4° | 0.3° |
| C15 | C12 | C10 | H2 | 180.0° | 180.0° |
| C15 | C12 | C10 | C7 | 179.5° | 180.0° |
| N13 | C10 | C12 | C7 | 179.9° | 179.7° |
| N13 | C10 | C7 | N3 | 6.6° | 0.3° |
| N13 | C10 | C7 | N5 | 173.6° | 179.8° |
| N13 | C10 | C12 | H2 | 179.5° | 179.7° |
| C12 | C10 | C7 | N3 | 173.3° | 179.9° |
| C12 | C10 | C7 | N5 | 6.5° | 0.2° |
| C10 | C12 | C15 | H6 | 179.2° | 180.0° |
| C12 | C10 | N13 | H11 | 179.9° | 179.8° |
| C10 | C7 | N3 | N5 | 179.8° | 179.9° |
| C10 | C7 | N3 | C1 | 179.7° | 180.0° |
| C10 | C7 | N5 | C2 | 179.8° | 179.9° |
| C7 | C10 | C12 | H2 | 0.5° | 0.0° |
| C10 | C7 | N3 | H7 | 0.2° | 0.1° |
| C7 | C10 | N13 | H11 | 0.0° | 0.1° |
| C7 | N3 | C1 | H7 | 180.0° | 179.9° |
| N3 | C7 | N5 | C2 | 0.0° | 0.3° |
| C7 | N3 | C1 | C2 | 0.7° | 0.0° |
| C7 | N3 | C1 | C4 | 179.4° | 179.8° |
| N5 | C7 | N3 | C1 | 0.5° | 0.2° |
| C7 | N5 | C2 | C1 | 0.5° | 0.3° |
| C7 | N5 | C2 | C6 | 179.5° | 179.6° |
| N5 | C7 | N3 | H7 | 179.6° | 180.0° |
| N3 | C1 | C2 | N5 | 0.8° | 0.2° |
| N3 | C1 | C2 | C4 | 178.8° | 179.8° |
| N3 | C1 | C2 | C6 | 180.0° | 179.7° |
| N3 | C1 | C4 | C8 | 179.7° | 179.7° |
| N3 | C1 | C4 | H8 | 0.3° | 0.3° |
| N5 | C2 | C1 | C6 | 179.2° | 179.9° |
| N5 | C2 | C1 | C4 | 179.6° | 180.0° |
| N5 | C2 | C6 | C9 | 179.5° | 180.0° |
| N5 | C2 | C6 | H10 | 0.5° | 0.1° |
| C2 | C1 | C4 | C8 | 1.2° | 0.0° |
| C1 | C2 | C6 | C9 | 0.6° | 0.1° |
| C2 | C1 | N3 | H7 | 179.3° | 179.9° |
| C2 | C1 | C4 | H8 | 178.8° | 180.0° |
| C1 | C2 | C6 | H10 | 179.4° | 180.0° |
| C4 | C1 | C2 | C6 | 1.2° | 0.0° |
| C1 | C4 | C8 | H8 | 180.0° | 180.0° |
| C1 | C4 | C8 | C9 | 0.6° | 0.1° |
| C1 | C4 | C8 | O11 | 177.9° | 180.0° |
| C4 | C1 | N3 | H7 | 0.6° | 0.1° |
| C2 | C6 | C9 | H10 | 180.0° | 179.9° |
| C2 | C6 | C9 | C8 | 0.0° | 0.1° |
| C2 | C6 | C9 | H1 | 180.0° | 179.8° |
| C4 | C8 | O11 | C14 | 86.8° | 179.9° |
| C4 | C8 | C9 | C6 | 0.0° | 0.1° |
| C4 | C8 | C9 | O11 | 177.2° | 179.9° |
| C4 | C8 | C9 | H1 | 180.0° | 179.8° |
| C14 | O11 | C8 | C9 | 96.0° | 0.0° |
| O11 | C14 | H3 | H4 | 120.0° | 120.0° |
| O11 | C14 | H3 | H5 | 120.0° | 120.0° |
| O11 | C14 | H4 | H5 | 120.0° | 120.0° |
| C6 | C9 | C8 | H1 | 180.0° | 180.0° |
| C6 | C9 | C8 | O11 | 177.2° | 180.0° |
| C9 | C8 | C4 | H8 | 179.4° | 179.9° |
| C8 | C9 | C6 | H10 | 180.0° | 179.9° |
| O11 | C8 | C9 | H1 | 2.8° | 0.1° |
| C8 | O11 | C14 | H3 | 180.0° | 180.0° |
| C8 | O11 | C14 | H4 | 60.0° | 60.0° |
| C8 | O11 | C14 | H5 | 60.0° | 60.0° |
| O11 | C8 | C4 | H8 | 2.1° | 0.0° |
| H1 | C9 | C6 | H10 | 0.0° | 0.1° |
| H2 | C12 | C15 | H6 | 0.8° | 0.1° |
| H3 | C14 | H4 | H5 | 120.0° | 120.0° |
