61O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| O08 | C07 | doub | 1.22Å | 1.27Å | |
| C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C07 | sing | 1.47Å | 1.51Å | |
| C04 | C03 | doub | 1.41Å | 1.41Å | Aromatic |
| C07 | O09 | sing | 1.35Å | 1.29Å | |
| C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C10 | sing | 1.48Å | 1.41Å | |
| C10 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | N14 | sing | 1.32Å | 1.35Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| N14 | C13 | doub | 1.32Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | 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 | |
| O09 | H1 | sing | 0.97Å | 0.95Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C06 | C01 | 117.8° | 120.4° |
| C06 | C05 | C04 | 121.6° | 120.0° |
| C06 | C05 | H051 | 119.2° | 119.9° |
| C05 | C06 | H061 | 121.1° | 119.9° |
| C06 | C01 | C02 | 121.1° | 120.5° |
| C06 | C01 | H011 | 119.4° | 119.8° |
| C01 | C06 | H061 | 121.1° | 119.8° |
| C05 | C04 | C07 | 118.4° | 120.2° |
| C05 | C04 | C03 | 120.9° | 119.5° |
| C04 | C05 | H051 | 119.2° | 120.0° |
| O08 | C07 | C04 | 124.5° | 120.0° |
| O08 | C07 | O09 | 120.7° | 120.0° |
| C01 | C02 | C03 | 121.7° | 120.0° |
| C02 | C01 | H011 | 119.4° | 119.7° |
| C01 | C02 | H021 | 119.2° | 120.0° |
| C07 | C04 | C03 | 120.6° | 120.2° |
| C04 | C07 | O09 | 114.8° | 120.0° |
| C04 | C03 | C02 | 116.9° | 119.6° |
| C04 | C03 | C10 | 123.8° | 120.2° |
| C07 | O09 | H1 | 109.5° | 117.0° |
| C02 | C03 | C10 | 119.3° | 120.2° |
| C03 | C02 | H021 | 119.2° | 120.0° |
| C03 | C10 | C15 | 121.9° | 120.5° |
| C03 | C10 | C11 | 122.0° | 120.6° |
| C15 | C10 | C11 | 116.0° | 118.9° |
| C10 | C15 | N14 | 122.3° | 120.6° |
| C10 | C15 | H151 | 118.9° | 119.7° |
| C10 | C11 | C12 | 121.2° | 118.3° |
| C10 | C11 | H111 | 119.4° | 120.8° |
| C15 | N14 | C13 | 121.3° | 121.9° |
| N14 | C15 | H151 | 118.8° | 119.7° |
| C11 | C12 | C13 | 119.6° | 119.3° |
| C12 | C11 | H111 | 119.4° | 120.8° |
| C11 | C12 | H121 | 120.2° | 120.4° |
| N14 | C13 | C12 | 119.5° | 121.0° |
| N14 | C13 | H131 | 120.3° | 119.5° |
| C12 | C13 | H131 | 120.2° | 119.4° |
| C13 | C12 | H121 | 120.2° | 120.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C06 | C01 | H061 | 180.0° | 179.4° |
| C06 | C05 | C04 | H051 | 180.0° | 179.7° |
| C05 | C06 | C01 | C02 | 0.3° | 0.5° |
| C06 | C05 | C04 | C07 | 176.0° | 179.8° |
| C06 | C05 | C04 | C03 | 1.1° | 0.3° |
| C05 | C06 | C01 | H011 | 179.7° | 179.7° |
| C01 | C06 | C05 | C04 | 1.2° | 0.6° |
| C06 | C01 | C02 | H011 | 180.0° | 179.7° |
| C06 | C01 | C02 | C03 | 0.8° | 0.3° |
| C06 | C01 | C02 | H021 | 179.2° | 179.7° |
| C01 | C06 | C05 | H051 | 178.8° | 179.7° |
| C05 | C04 | C07 | O08 | 50.5° | 173.5° |
| C05 | C04 | C07 | C03 | 177.0° | 179.9° |
| C05 | C04 | C07 | O09 | 128.1° | 6.4° |
| C05 | C04 | C03 | C02 | 0.0° | 0.0° |
| C05 | C04 | C03 | C10 | 179.7° | 180.0° |
| C04 | C05 | C06 | H061 | 178.8° | 180.0° |
| O08 | C07 | C04 | O09 | 178.6° | 180.0° |
| O08 | C07 | C04 | C03 | 132.4° | 6.5° |
| O08 | C07 | O09 | H1 | 0.0° | 0.0° |
| C01 | C02 | C03 | C04 | 0.9° | 0.0° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C10 | 179.4° | 180.0° |
| C02 | C01 | C06 | H061 | 179.8° | 179.9° |
| C07 | C04 | C03 | C02 | 177.0° | 180.0° |
| C07 | C04 | C03 | C10 | 3.3° | 0.1° |
| C07 | C04 | C05 | H051 | 4.1° | 0.0° |
| C04 | C07 | O09 | H1 | 178.7° | 180.0° |
| C03 | C04 | C07 | O09 | 48.9° | 173.5° |
| C04 | C03 | C02 | C10 | 179.7° | 180.0° |
| C04 | C03 | C10 | C15 | 46.1° | 122.0° |
| C04 | C03 | C10 | C11 | 136.8° | 58.3° |
| C04 | C03 | C02 | H021 | 179.1° | 180.0° |
| C03 | C04 | C05 | H051 | 178.9° | 179.9° |
| C02 | C03 | C10 | C15 | 133.6° | 58.0° |
| C02 | C03 | C10 | C11 | 43.5° | 121.8° |
| C03 | C02 | C01 | H011 | 179.2° | 180.0° |
| C03 | C10 | C15 | C11 | 177.3° | 179.7° |
| C03 | C10 | C15 | N14 | 179.3° | 179.6° |
| C03 | C10 | C11 | C12 | 179.8° | 179.7° |
| C03 | C10 | C15 | H151 | 0.7° | 0.3° |
| C10 | C03 | C02 | H021 | 0.6° | 0.0° |
| C03 | C10 | C11 | H111 | 0.2° | 0.2° |
| C10 | C15 | N14 | H151 | 180.0° | 179.9° |
| C15 | C10 | C11 | C12 | 2.5° | 0.0° |
| C10 | C15 | N14 | C13 | 0.3° | 0.2° |
| C15 | C10 | C11 | H111 | 177.5° | 180.0° |
| C11 | C10 | C15 | N14 | 2.0° | 0.1° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 1.4° | 0.1° |
| C11 | C10 | C15 | H151 | 178.0° | 180.0° |
| C10 | C11 | C12 | H121 | 178.6° | 180.0° |
| C15 | N14 | C13 | C12 | 1.0° | 0.2° |
| C15 | N14 | C13 | H131 | 179.0° | 179.9° |
| C11 | C12 | C13 | N14 | 0.4° | 0.1° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | H131 | 179.6° | 180.0° |
| N14 | C13 | C12 | H131 | 180.0° | 179.9° |
| C13 | N14 | C15 | H151 | 179.7° | 179.9° |
| N14 | C13 | C12 | H121 | 179.6° | 179.9° |
| C13 | C12 | C11 | H111 | 178.6° | 180.0° |
| H131 | C13 | C12 | H121 | 0.4° | 0.0° |
| H011 | C01 | C02 | H021 | 0.8° | 0.0° |
| H011 | C01 | C06 | H061 | 0.3° | 0.3° |
| H051 | C05 | C06 | H061 | 1.2° | 0.3° |
| H111 | C11 | C12 | H121 | 1.4° | 0.0° |
