7NM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | B14 | sing | 1.42Å | 1.41Å | |
| B14 | C13 | sing | 1.57Å | 1.68Å | |
| C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.45Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.56Å | |
| C05 | O04 | sing | 1.43Å | 1.38Å | |
| C08 | C09 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.47Å | Aromatic |
| C13 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C03 | sing | 1.38Å | 1.37Å | Aromatic |
| C06 | C11 | doub | 1.38Å | 1.34Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.44Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C03 | O04 | sing | 1.36Å | 1.43Å | |
| C03 | C02 | doub | 1.39Å | 1.44Å | Aromatic |
| C18 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.54Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| B14 | H12 | sing | 1.17Å | 1.20Å | |
| O15 | H13 | sing | 0.97Å | 0.95Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | B14 | C13 | 120.3° | 120.0° |
| O15 | B14 | H12 | 119.8° | 120.0° |
| B14 | O15 | H13 | 109.5° | 114.0° |
| B14 | C13 | C12 | 119.3° | 120.1° |
| B14 | C13 | C17 | 120.2° | 120.1° |
| C13 | B14 | H12 | 119.9° | 120.0° |
| C08 | C07 | C06 | 119.4° | 120.0° |
| C07 | C08 | C09 | 120.2° | 120.0° |
| C08 | C07 | H6 | 120.3° | 119.9° |
| C07 | C08 | H7 | 119.9° | 120.0° |
| C07 | C06 | C05 | 119.7° | 120.0° |
| C07 | C06 | C11 | 120.9° | 120.0° |
| C06 | C07 | H6 | 120.3° | 120.0° |
| C06 | C05 | O04 | 105.2° | 109.5° |
| C05 | C06 | C11 | 119.5° | 120.0° |
| C06 | C05 | H4 | 110.5° | 109.5° |
| C06 | C05 | H5 | 110.5° | 109.5° |
| C05 | O04 | C03 | 114.3° | 117.0° |
| O04 | C05 | H4 | 110.5° | 109.5° |
| O04 | C05 | H5 | 110.5° | 109.5° |
| C08 | C09 | C10 | 120.2° | 120.0° |
| C09 | C08 | H7 | 119.9° | 120.0° |
| C08 | C09 | H8 | 119.9° | 120.0° |
| C12 | C13 | C17 | 120.5° | 119.8° |
| C13 | C12 | C03 | 118.9° | 119.8° |
| C13 | C12 | H11 | 120.6° | 120.1° |
| C13 | C17 | C18 | 120.1° | 120.0° |
| C13 | C17 | H14 | 119.9° | 120.0° |
| C12 | C03 | O04 | 120.6° | 120.0° |
| C12 | C03 | C02 | 120.8° | 120.0° |
| C03 | C12 | H11 | 120.5° | 120.1° |
| C06 | C11 | C10 | 119.7° | 120.0° |
| C06 | C11 | H10 | 120.1° | 120.0° |
| C09 | C10 | C11 | 119.6° | 120.0° |
| C10 | C09 | H8 | 119.9° | 120.0° |
| C09 | C10 | H9 | 120.2° | 120.0° |
| C17 | C18 | C02 | 119.3° | 120.2° |
| C18 | C17 | H14 | 119.9° | 120.0° |
| C17 | C18 | H15 | 120.4° | 119.9° |
| C11 | C10 | H9 | 120.2° | 120.0° |
| C10 | C11 | H10 | 120.2° | 120.0° |
| O04 | C03 | C02 | 118.6° | 120.0° |
| C03 | C02 | C18 | 120.4° | 120.2° |
| C03 | C02 | C01 | 118.4° | 119.9° |
| C18 | C02 | C01 | 121.2° | 119.9° |
| C02 | C18 | H15 | 120.4° | 119.9° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C05 | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | B14 | C13 | H12 | 180.0° | 180.0° |
| O15 | B14 | C13 | C12 | 28.2° | 180.0° |
| O15 | B14 | C13 | C17 | 152.1° | 0.0° |
| B14 | C13 | C12 | C17 | 179.7° | 180.0° |
| B14 | C13 | C12 | C03 | 180.0° | 180.0° |
| B14 | C13 | C17 | C18 | 179.8° | 179.7° |
| B14 | C13 | C12 | H11 | 0.0° | 0.1° |
| C13 | B14 | O15 | H13 | 180.0° | 180.0° |
| B14 | C13 | C17 | H14 | 0.2° | 0.0° |
| C08 | C07 | C06 | H6 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 179.8° | 180.0° |
| C07 | C08 | C09 | H7 | 180.0° | 180.0° |
| C08 | C07 | C06 | C11 | 0.9° | 0.3° |
| C07 | C08 | C09 | C10 | 0.0° | 0.0° |
| C07 | C08 | C09 | H8 | 180.0° | 180.0° |
| C07 | C06 | C05 | C11 | 179.3° | 179.7° |
| C07 | C06 | C05 | O04 | 141.5° | 89.7° |
| C06 | C07 | C08 | C09 | 0.6° | 0.0° |
| C07 | C06 | C11 | C10 | 0.6° | 0.5° |
| C07 | C06 | C05 | H4 | 22.2° | 150.2° |
| C07 | C06 | C05 | H5 | 99.2° | 30.3° |
| C06 | C07 | C08 | H7 | 179.5° | 179.9° |
| C07 | C06 | C11 | H10 | 179.4° | 179.7° |
| C06 | C05 | O04 | H4 | 119.3° | 120.0° |
| C06 | C05 | O04 | H5 | 119.3° | 120.0° |
| C05 | C06 | C11 | C10 | 179.9° | 179.8° |
| C06 | C05 | O04 | C03 | 178.3° | 180.0° |
| C06 | C05 | H4 | H5 | 122.0° | 120.0° |
| C05 | C06 | C07 | H6 | 0.2° | 0.0° |
| C05 | C06 | C11 | H10 | 0.0° | 0.0° |
| C05 | O04 | C03 | C12 | 25.8° | 0.0° |
| O04 | C05 | C06 | C11 | 37.9° | 90.0° |
| C05 | O04 | C03 | C02 | 154.1° | 180.0° |
| O04 | C05 | H4 | H5 | 122.0° | 120.0° |
| C08 | C09 | C10 | H8 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.2° | 0.2° |
| C09 | C08 | C07 | H6 | 179.4° | 180.0° |
| C08 | C09 | C10 | H9 | 179.8° | 180.0° |
| C13 | C12 | C03 | H11 | 180.0° | 180.0° |
| C12 | C13 | C17 | C18 | 0.5° | 0.3° |
| C13 | C12 | C03 | O04 | 180.0° | 180.0° |
| C13 | C12 | C03 | C02 | 0.1° | 0.0° |
| C12 | C13 | B14 | H12 | 151.8° | 0.0° |
| C12 | C13 | C17 | H14 | 179.5° | 180.0° |
| C17 | C13 | C12 | C03 | 0.2° | 0.0° |
| C13 | C17 | C18 | H14 | 180.0° | 179.7° |
| C13 | C17 | C18 | C02 | 0.6° | 0.6° |
| C17 | C13 | C12 | H11 | 179.8° | 179.9° |
| C17 | C13 | B14 | H12 | 28.0° | 180.0° |
| C13 | C17 | C18 | H15 | 179.4° | 180.0° |
| C12 | C03 | O04 | C02 | 179.9° | 180.0° |
| C12 | C03 | C02 | C18 | 0.3° | 0.2° |
| C12 | C03 | C02 | C01 | 179.2° | 180.0° |
| C06 | C11 | C10 | C09 | 0.1° | 0.4° |
| C06 | C11 | C10 | H10 | 180.0° | 179.8° |
| C11 | C06 | C05 | H4 | 157.2° | 30.0° |
| C11 | C06 | C05 | H5 | 81.5° | 150.0° |
| C11 | C06 | C07 | H6 | 179.1° | 179.8° |
| C06 | C11 | C10 | H9 | 179.9° | 179.8° |
| C09 | C10 | C11 | H9 | 180.0° | 179.8° |
| C10 | C09 | C08 | H7 | 180.0° | 180.0° |
| C09 | C10 | C11 | H10 | 179.9° | 179.7° |
| C17 | C18 | C02 | C03 | 0.5° | 0.5° |
| C17 | C18 | C02 | H15 | 180.0° | 179.4° |
| C17 | C18 | C02 | C01 | 179.0° | 179.7° |
| C11 | C10 | C09 | H8 | 179.8° | 179.8° |
| O04 | C03 | C02 | C18 | 179.8° | 179.8° |
| O04 | C03 | C02 | C01 | 0.7° | 0.0° |
| C03 | O04 | C05 | H4 | 59.0° | 60.0° |
| C03 | O04 | C05 | H5 | 62.4° | 60.0° |
| O04 | C03 | C12 | H11 | 0.0° | 0.0° |
| C03 | C02 | C18 | C01 | 179.5° | 179.8° |
| C03 | C02 | C01 | H1 | 90.2° | 89.9° |
| C03 | C02 | C01 | H2 | 149.8° | 150.0° |
| C03 | C02 | C01 | H3 | 29.8° | 30.0° |
| C02 | C03 | C12 | H11 | 179.9° | 180.0° |
| C03 | C02 | C18 | H15 | 179.5° | 180.0° |
| C18 | C02 | C01 | H1 | 90.3° | 90.3° |
| C18 | C02 | C01 | H2 | 29.7° | 29.7° |
| C18 | C02 | C01 | H3 | 149.7° | 149.8° |
| C02 | C18 | C17 | H14 | 179.4° | 179.8° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C18 | H15 | 1.0° | 0.3° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H6 | C07 | C08 | H7 | 0.6° | 0.0° |
| H7 | C08 | C09 | H8 | 0.0° | 0.0° |
| H8 | C09 | C10 | H9 | 0.2° | 0.0° |
| H9 | C10 | C11 | H10 | 0.1° | 0.1° |
| H12 | B14 | O15 | H13 | 0.0° | 0.0° |
| H14 | C17 | C18 | H15 | 0.6° | 0.3° |
