9JT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | doub | 1.40Å | 1.41Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C02 | sing | 1.40Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.48Å | 1.51Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C02 | SE1 | sing | 1.96Å | 1.59Å | |
| N10 | C08 | sing | 1.35Å | 1.34Å | |
| N10 | C11 | sing | 1.40Å | 1.37Å | |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | O09 | doub | 1.22Å | 1.21Å | |
| C11 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C03 | H8 | sing | 1.08Å | 1.08Å | |
| SE1 | H9 | sing | 1.56Å | 1.46Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C05 | C06 | 118.9° | 120.2° |
| C05 | C04 | C03 | 120.0° | 120.3° |
| C04 | C05 | H6 | 120.5° | 120.0° |
| C05 | C04 | H7 | 120.0° | 119.9° |
| C05 | C06 | C07 | 121.4° | 119.8° |
| C05 | C06 | H5 | 119.3° | 120.1° |
| C06 | C05 | H6 | 120.6° | 119.9° |
| C04 | C03 | C02 | 122.2° | 120.2° |
| C03 | C04 | H7 | 120.0° | 119.8° |
| C04 | C03 | H8 | 118.9° | 119.9° |
| C06 | C07 | C02 | 119.7° | 119.7° |
| C06 | C07 | C08 | 117.2° | 120.1° |
| C07 | C06 | H5 | 119.3° | 120.1° |
| C03 | C02 | C07 | 117.8° | 119.8° |
| C03 | C02 | SE1 | 117.7° | 120.1° |
| C02 | C03 | H8 | 118.9° | 119.9° |
| C02 | C07 | C08 | 123.0° | 120.1° |
| C07 | C02 | SE1 | 124.4° | 120.1° |
| C07 | C08 | N10 | 117.7° | 120.0° |
| C07 | C08 | O09 | 118.6° | 120.0° |
| C15 | C16 | C11 | 121.1° | 119.9° |
| C16 | C15 | C14 | 119.9° | 120.1° |
| C16 | C15 | H4 | 120.0° | 119.9° |
| C15 | C16 | H11 | 119.5° | 120.1° |
| C16 | C11 | N10 | 115.0° | 120.1° |
| C16 | C11 | C12 | 118.6° | 119.8° |
| C11 | C16 | H11 | 119.4° | 120.0° |
| C02 | SE1 | H9 | 109.5° | 101.0° |
| C08 | N10 | C11 | 127.8° | 120.0° |
| N10 | C08 | O09 | 123.6° | 119.9° |
| C08 | N10 | H10 | 116.1° | 120.0° |
| N10 | C11 | C12 | 126.5° | 120.1° |
| C11 | N10 | H10 | 116.1° | 120.0° |
| C15 | C14 | C13 | 120.1° | 120.2° |
| C15 | C14 | H3 | 119.9° | 119.9° |
| C14 | C15 | H4 | 120.1° | 120.0° |
| C11 | C12 | C13 | 120.2° | 119.9° |
| C11 | C12 | H1 | 119.9° | 120.0° |
| C14 | C13 | C12 | 120.1° | 120.1° |
| C14 | C13 | H2 | 119.9° | 120.0° |
| C13 | C14 | H3 | 119.9° | 119.9° |
| C13 | C12 | H1 | 119.9° | 120.0° |
| C12 | C13 | H2 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C05 | C06 | H6 | 180.0° | 179.9° |
| C05 | C04 | C03 | H7 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.8° | 0.1° |
| C05 | C04 | C03 | C02 | 0.3° | 0.0° |
| C04 | C05 | C06 | H5 | 179.2° | 179.9° |
| C05 | C04 | C03 | H8 | 179.7° | 180.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.1° |
| C05 | C06 | C07 | H5 | 180.0° | 179.9° |
| C05 | C06 | C07 | C02 | 1.7° | 0.0° |
| C05 | C06 | C07 | C08 | 179.9° | 179.7° |
| C06 | C05 | C04 | H7 | 179.9° | 180.0° |
| C04 | C03 | C02 | H8 | 180.0° | 180.0° |
| C04 | C03 | C02 | C07 | 1.2° | 0.0° |
| C04 | C03 | C02 | SE1 | 179.8° | 179.7° |
| C03 | C04 | C05 | H6 | 179.9° | 180.0° |
| C06 | C07 | C02 | C03 | 1.9° | 0.0° |
| C06 | C07 | C02 | C08 | 178.1° | 179.8° |
| C06 | C07 | C02 | SE1 | 179.6° | 179.7° |
| C06 | C07 | C08 | N10 | 38.2° | 0.2° |
| C06 | C07 | C08 | O09 | 138.3° | 179.7° |
| C07 | C06 | C05 | H6 | 179.2° | 180.0° |
| C03 | C02 | C07 | SE1 | 178.6° | 179.7° |
| C03 | C02 | C07 | C08 | 179.9° | 179.8° |
| C02 | C03 | C04 | H7 | 179.7° | 180.0° |
| C03 | C02 | SE1 | H9 | 180.0° | 90.2° |
| C02 | C07 | C08 | N10 | 143.7° | 180.0° |
| C02 | C07 | C08 | O09 | 39.7° | 0.1° |
| C02 | C07 | C06 | H5 | 178.3° | 179.9° |
| C07 | C02 | C03 | H8 | 178.8° | 180.0° |
| C07 | C02 | SE1 | H9 | 1.4° | 90.0° |
| C08 | C07 | C02 | SE1 | 1.5° | 0.0° |
| C07 | C08 | N10 | O09 | 176.3° | 179.9° |
| C07 | C08 | N10 | C11 | 167.1° | 174.7° |
| C08 | C07 | C06 | H5 | 0.1° | 0.3° |
| C07 | C08 | N10 | H10 | 12.9° | 5.4° |
| C15 | C16 | C11 | H11 | 180.0° | 179.5° |
| C15 | C16 | C11 | N10 | 179.6° | 179.8° |
| C16 | C15 | C14 | H4 | 180.0° | 179.7° |
| C15 | C16 | C11 | C12 | 0.4° | 0.5° |
| C16 | C15 | C14 | C13 | 0.2° | 0.3° |
| C16 | C15 | C14 | H3 | 179.8° | 179.8° |
| C16 | C11 | N10 | C08 | 176.4° | 33.6° |
| C16 | C11 | N10 | C12 | 179.9° | 179.7° |
| C11 | C16 | C15 | C14 | 0.2° | 0.5° |
| C16 | C11 | C12 | C13 | 0.4° | 0.2° |
| C16 | C11 | C12 | H1 | 179.6° | 179.7° |
| C11 | C16 | C15 | H4 | 179.8° | 179.8° |
| C16 | C11 | N10 | H10 | 3.6° | 146.5° |
| SE1 | C02 | C03 | H8 | 0.1° | 0.3° |
| C08 | N10 | C11 | H10 | 180.0° | 179.9° |
| C08 | N10 | C11 | C12 | 3.5° | 146.7° |
| C11 | N10 | C08 | O09 | 9.2° | 5.2° |
| N10 | C11 | C12 | C13 | 179.7° | 180.0° |
| N10 | C11 | C12 | H1 | 0.3° | 0.0° |
| N10 | C11 | C16 | H11 | 0.3° | 0.3° |
| C15 | C14 | C13 | H3 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C15 | C14 | C13 | H2 | 179.8° | 180.0° |
| C14 | C15 | C16 | H11 | 179.9° | 179.9° |
| O09 | C08 | N10 | H10 | 170.8° | 174.7° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H1 | 180.0° | 179.9° |
| C11 | C12 | C13 | H2 | 179.9° | 179.9° |
| C12 | C11 | N10 | H10 | 176.5° | 33.2° |
| C12 | C11 | C16 | H11 | 179.6° | 179.9° |
| C14 | C13 | C12 | H2 | 180.0° | 179.9° |
| C14 | C13 | C12 | H1 | 179.9° | 179.9° |
| C13 | C14 | C15 | H4 | 179.9° | 179.9° |
| C12 | C13 | C14 | H3 | 179.8° | 180.0° |
| H1 | C12 | C13 | H2 | 0.1° | 0.0° |
| H2 | C13 | C14 | H3 | 0.2° | 0.1° |
| H3 | C14 | C15 | H4 | 0.1° | 0.1° |
| H4 | C15 | C16 | H11 | 0.2° | 0.4° |
| H5 | C06 | C05 | H6 | 0.8° | 0.1° |
| H6 | C05 | C04 | H7 | 0.1° | 0.1° |
| H7 | C04 | C03 | H8 | 0.3° | 0.0° |
