7MZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| N12 | C13 | doub | 1.32Å | 1.35Å | Aromatic |
| N12 | C11 | sing | 1.32Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.22Å | |
| C04 | C02 | sing | 1.47Å | 1.52Å | |
| C04 | C05 | doub | 1.40Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | O10 | sing | 1.36Å | 1.42Å | |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| O10 | C11 | sing | 1.36Å | 1.42Å | |
| C11 | N16 | doub | 1.32Å | 1.33Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| N16 | C15 | sing | 1.32Å | 1.35Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | C07 | 120.0° | 120.2° |
| C08 | C09 | C04 | 120.2° | 119.9° |
| C09 | C08 | H9 | 120.0° | 119.9° |
| C08 | C09 | H10 | 119.9° | 120.0° |
| C08 | C07 | C06 | 120.5° | 120.3° |
| C08 | C07 | H8 | 119.7° | 119.8° |
| C07 | C08 | H9 | 120.0° | 119.9° |
| C09 | C04 | C02 | 119.6° | 120.2° |
| C09 | C04 | C05 | 119.6° | 119.7° |
| C04 | C09 | H10 | 119.9° | 120.1° |
| C07 | C06 | C05 | 119.4° | 120.1° |
| C07 | C06 | O10 | 117.3° | 120.0° |
| C06 | C07 | H8 | 119.7° | 119.9° |
| C13 | N12 | C11 | 121.3° | 120.8° |
| N12 | C13 | C14 | 118.1° | 119.2° |
| N12 | C13 | H2 | 121.0° | 120.4° |
| N12 | C11 | O10 | 121.0° | 119.2° |
| N12 | C11 | N16 | 122.5° | 121.6° |
| C13 | C14 | C15 | 118.7° | 118.5° |
| C13 | C14 | H1 | 120.6° | 120.7° |
| C14 | C13 | H2 | 121.0° | 120.4° |
| O03 | C02 | C04 | 120.0° | 120.1° |
| O03 | C02 | C01 | 119.1° | 119.9° |
| C02 | C04 | C05 | 120.8° | 120.1° |
| C04 | C02 | C01 | 120.8° | 120.0° |
| C04 | C05 | C06 | 120.4° | 119.8° |
| C04 | C05 | H7 | 119.8° | 120.1° |
| C05 | C06 | O10 | 123.3° | 120.0° |
| C06 | C05 | H7 | 119.8° | 120.1° |
| C06 | O10 | C11 | 119.5° | 118.0° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| O10 | C11 | N16 | 116.5° | 119.2° |
| C11 | N16 | C15 | 120.3° | 120.8° |
| C14 | C15 | N16 | 119.2° | 119.2° |
| C15 | C14 | H1 | 120.6° | 120.8° |
| C14 | C15 | H3 | 120.4° | 120.4° |
| N16 | C15 | H3 | 120.4° | 120.4° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C07 | H9 | 180.0° | 179.5° |
| C08 | C09 | C04 | H10 | 180.0° | 179.5° |
| C09 | C08 | C07 | C06 | 0.3° | 0.2° |
| C08 | C09 | C04 | C02 | 179.9° | 179.8° |
| C08 | C09 | C04 | C05 | 0.2° | 0.5° |
| C09 | C08 | C07 | H8 | 179.7° | 179.8° |
| C07 | C08 | C09 | C04 | 0.0° | 0.5° |
| C08 | C07 | C06 | H8 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.9° | 0.0° |
| C08 | C07 | C06 | O10 | 179.3° | 180.0° |
| C07 | C08 | C09 | H10 | 180.0° | 180.0° |
| C09 | C04 | C02 | O03 | 6.7° | 179.7° |
| C09 | C04 | C02 | C05 | 179.7° | 179.7° |
| C09 | C04 | C05 | C06 | 0.8° | 0.3° |
| C09 | C04 | C02 | C01 | 173.2° | 0.3° |
| C09 | C04 | C05 | H7 | 179.2° | 179.7° |
| C04 | C09 | C08 | H9 | 179.9° | 180.0° |
| C07 | C06 | C05 | C04 | 1.1° | 0.0° |
| C07 | C06 | C05 | O10 | 178.4° | 180.0° |
| C07 | C06 | O10 | C11 | 143.5° | 103.1° |
| C07 | C06 | C05 | H7 | 178.9° | 180.0° |
| C06 | C07 | C08 | H9 | 179.7° | 179.8° |
| N12 | C13 | C14 | H2 | 180.0° | 179.9° |
| C13 | N12 | C11 | O10 | 179.7° | 179.7° |
| C13 | N12 | C11 | N16 | 1.0° | 0.2° |
| N12 | C13 | C14 | C15 | 0.1° | 0.1° |
| N12 | C13 | C14 | H1 | 179.9° | 179.7° |
| C11 | N12 | C13 | C14 | 0.5° | 0.1° |
| N12 | C11 | O10 | C06 | 29.0° | 4.3° |
| N12 | C11 | O10 | N16 | 178.8° | 179.5° |
| N12 | C11 | N16 | C15 | 0.9° | 0.5° |
| C11 | N12 | C13 | H2 | 179.5° | 180.0° |
| C13 | C14 | C15 | H1 | 180.0° | 179.7° |
| C13 | C14 | C15 | N16 | 0.2° | 0.2° |
| C13 | C14 | C15 | H3 | 179.8° | 179.7° |
| O03 | C02 | C04 | C01 | 180.0° | 180.0° |
| O03 | C02 | C04 | C05 | 172.9° | 0.0° |
| O03 | C02 | C01 | H4 | 0.0° | 0.0° |
| O03 | C02 | C01 | H5 | 120.0° | 120.0° |
| O03 | C02 | C01 | H6 | 120.0° | 120.0° |
| C02 | C04 | C05 | C06 | 179.5° | 180.0° |
| C04 | C02 | C01 | H4 | 180.0° | 180.0° |
| C04 | C02 | C01 | H5 | 60.0° | 60.0° |
| C04 | C02 | C01 | H6 | 60.0° | 60.0° |
| C02 | C04 | C05 | H7 | 0.5° | 0.1° |
| C02 | C04 | C09 | H10 | 0.1° | 0.3° |
| C04 | C05 | C06 | H7 | 180.0° | 180.0° |
| C04 | C05 | C06 | O10 | 179.5° | 179.9° |
| C05 | C04 | C02 | C01 | 7.1° | 180.0° |
| C05 | C04 | C09 | H10 | 179.8° | 180.0° |
| C05 | C06 | O10 | C11 | 38.2° | 77.0° |
| C05 | C06 | C07 | H8 | 179.1° | 180.0° |
| C06 | O10 | C11 | N16 | 152.2° | 175.2° |
| O10 | C06 | C05 | H7 | 0.5° | 0.0° |
| O10 | C06 | C07 | H8 | 0.7° | 0.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| O10 | C11 | N16 | C15 | 179.6° | 180.0° |
| C11 | N16 | C15 | C14 | 0.3° | 0.5° |
| C11 | N16 | C15 | H3 | 179.7° | 179.4° |
| C14 | C15 | N16 | H3 | 180.0° | 180.0° |
| C15 | C14 | C13 | H2 | 179.9° | 180.0° |
| N16 | C15 | C14 | H1 | 179.8° | 180.0° |
| H1 | C14 | C13 | H2 | 0.1° | 0.3° |
| H1 | C14 | C15 | H3 | 0.2° | 0.0° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H8 | C07 | C08 | H9 | 0.3° | 0.2° |
| H9 | C08 | C09 | H10 | 0.0° | 0.5° |
