60Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.39Å | Aromatic |
| O09 | C07 | doub | 1.21Å | 1.26Å | |
| C07 | C04 | sing | 1.47Å | 1.52Å | |
| C07 | O08 | sing | 1.35Å | 1.26Å | |
| C04 | C03 | doub | 1.40Å | 1.39Å | Aromatic |
| C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | N10 | sing | 1.40Å | 1.35Å | |
| N10 | C11 | sing | 1.37Å | 1.34Å | Aromatic |
| N10 | C14 | sing | 1.37Å | 1.34Å | Aromatic |
| C11 | C12 | doub | 1.35Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| O08 | H1 | sing | 0.97Å | 0.95Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C05 | C04 | 120.3° | 119.9° |
| C05 | C06 | C01 | 119.9° | 120.3° |
| C06 | C05 | H051 | 119.8° | 120.1° |
| C05 | C06 | H061 | 120.0° | 119.9° |
| C05 | C04 | C07 | 119.2° | 120.2° |
| C05 | C04 | C03 | 119.8° | 119.6° |
| C04 | C05 | H051 | 119.8° | 120.0° |
| C06 | C01 | C02 | 119.9° | 120.5° |
| C06 | C01 | H011 | 120.0° | 119.8° |
| C01 | C06 | H061 | 120.1° | 119.8° |
| O09 | C07 | C04 | 119.5° | 120.0° |
| O09 | C07 | O08 | 119.9° | 120.0° |
| C04 | C07 | O08 | 120.6° | 120.0° |
| C07 | C04 | C03 | 121.0° | 120.2° |
| C07 | O08 | H1 | 109.5° | 117.0° |
| C04 | C03 | C02 | 119.7° | 119.7° |
| C04 | C03 | N10 | 121.1° | 120.2° |
| C01 | C02 | C03 | 120.4° | 120.0° |
| C02 | C01 | H011 | 120.1° | 119.8° |
| C01 | C02 | H021 | 119.8° | 120.0° |
| C02 | C03 | N10 | 119.2° | 120.1° |
| C03 | C02 | H021 | 119.8° | 120.0° |
| C03 | N10 | C11 | 126.2° | 125.7° |
| C03 | N10 | C14 | 124.7° | 125.7° |
| C11 | N10 | C14 | 109.1° | 108.6° |
| N10 | C11 | C12 | 108.4° | 108.2° |
| N10 | C11 | H111 | 125.8° | 125.9° |
| N10 | C14 | C13 | 108.8° | 108.2° |
| N10 | C14 | H141 | 125.6° | 125.8° |
| C11 | C12 | C13 | 107.1° | 107.5° |
| C12 | C11 | H111 | 125.8° | 125.9° |
| C11 | C12 | H121 | 126.5° | 126.3° |
| C14 | C13 | C12 | 106.5° | 107.5° |
| C14 | C13 | H131 | 126.7° | 126.2° |
| C13 | C14 | H141 | 125.6° | 126.0° |
| C12 | C13 | H131 | 126.7° | 126.3° |
| C13 | C12 | H121 | 126.5° | 126.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C05 | C04 | H051 | 180.0° | 179.5° |
| C05 | C06 | C01 | H061 | 180.0° | 179.5° |
| C06 | C05 | C04 | C07 | 179.8° | 179.8° |
| C06 | C05 | C04 | C03 | 0.5° | 0.3° |
| C05 | C06 | C01 | C02 | 0.1° | 0.5° |
| C05 | C06 | C01 | H011 | 179.9° | 179.8° |
| C04 | C05 | C06 | C01 | 0.3° | 0.5° |
| C05 | C04 | C07 | O09 | 60.0° | 173.7° |
| C05 | C04 | C07 | C03 | 179.3° | 180.0° |
| C05 | C04 | C07 | O08 | 120.0° | 6.4° |
| C05 | C04 | C03 | C02 | 0.5° | 0.0° |
| C05 | C04 | C03 | N10 | 180.0° | 180.0° |
| C04 | C05 | C06 | H061 | 179.7° | 180.0° |
| C06 | C01 | C02 | H011 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.1° | 0.3° |
| C06 | C01 | C02 | H021 | 179.9° | 179.8° |
| C01 | C06 | C05 | H051 | 179.7° | 180.0° |
| O09 | C07 | C04 | O08 | 179.9° | 180.0° |
| O09 | C07 | C04 | C03 | 119.3° | 6.3° |
| O09 | C07 | O08 | H1 | 0.0° | 0.0° |
| C07 | C04 | C03 | C02 | 179.9° | 180.0° |
| C07 | C04 | C03 | N10 | 0.7° | 0.0° |
| C07 | C04 | C05 | H051 | 0.2° | 0.2° |
| C04 | C07 | O08 | H1 | 179.9° | 180.0° |
| O08 | C07 | C04 | C03 | 60.7° | 173.7° |
| C04 | C03 | C02 | C01 | 0.4° | 0.0° |
| C04 | C03 | C02 | N10 | 179.5° | 180.0° |
| C04 | C03 | N10 | C11 | 63.1° | 122.0° |
| C04 | C03 | N10 | C14 | 117.5° | 57.9° |
| C04 | C03 | C02 | H021 | 179.6° | 180.0° |
| C03 | C04 | C05 | H051 | 179.5° | 179.8° |
| C01 | C02 | C03 | H021 | 180.0° | 179.9° |
| C01 | C02 | C03 | N10 | 179.8° | 180.0° |
| C02 | C01 | C06 | H061 | 179.9° | 180.0° |
| C02 | C03 | N10 | C11 | 117.4° | 58.0° |
| C02 | C03 | N10 | C14 | 61.9° | 122.0° |
| C03 | C02 | C01 | H011 | 179.9° | 180.0° |
| C03 | N10 | C11 | C14 | 179.4° | 180.0° |
| C03 | N10 | C11 | C12 | 179.9° | 180.0° |
| C03 | N10 | C14 | C13 | 179.9° | 179.9° |
| N10 | C03 | C02 | H021 | 0.2° | 0.1° |
| C03 | N10 | C11 | H111 | 0.1° | 0.0° |
| C03 | N10 | C14 | H141 | 0.1° | 0.1° |
| N10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C11 | N10 | C14 | C13 | 0.4° | 0.1° |
| N10 | C11 | C12 | C13 | 0.3° | 0.2° |
| N10 | C11 | C12 | H121 | 179.7° | 179.8° |
| C11 | N10 | C14 | H141 | 179.6° | 179.9° |
| C14 | N10 | C11 | C12 | 0.4° | 0.0° |
| N10 | C14 | C13 | H141 | 180.0° | 180.0° |
| N10 | C14 | C13 | C12 | 0.2° | 0.2° |
| N10 | C14 | C13 | H131 | 179.8° | 180.0° |
| C14 | N10 | C11 | H111 | 179.5° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.2° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | H131 | 180.0° | 180.0° |
| C14 | C13 | C12 | H131 | 180.0° | 179.8° |
| C14 | C13 | C12 | H121 | 179.9° | 179.7° |
| C13 | C12 | C11 | H111 | 179.7° | 179.9° |
| C12 | C13 | C14 | H141 | 179.8° | 179.8° |
| H131 | C13 | C12 | H121 | 0.1° | 0.0° |
| H131 | C13 | C14 | H141 | 0.2° | 0.0° |
| H011 | C01 | C02 | H021 | 0.1° | 0.1° |
| H011 | C01 | C06 | H061 | 0.1° | 0.2° |
| H051 | C05 | C06 | H061 | 0.3° | 0.4° |
| H111 | C11 | C12 | H121 | 0.4° | 0.1° |
