9F8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C02 | sing | 1.51Å | 1.51Å | |
| C01 | C02 | doub | 1.34Å | 1.40Å | Aromatic |
| C01 | N09 | sing | 1.37Å | 1.32Å | Aromatic |
| C02 | C03 | sing | 1.46Å | 1.44Å | Aromatic |
| N09 | C10 | sing | 1.46Å | 1.43Å | |
| N09 | C04 | sing | 1.38Å | 1.34Å | Aromatic |
| C03 | C04 | doub | 1.41Å | 1.38Å | Aromatic |
| C03 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| O14 | C12 | doub | 1.21Å | 1.27Å | |
| O13 | C12 | sing | 1.34Å | 1.26Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C08 | C07 | doub | 1.37Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C02 | C01 | 126.1° | 126.5° |
| C15 | C02 | C03 | 128.0° | 126.5° |
| C02 | C15 | H3 | 109.5° | 109.5° |
| C02 | C15 | H4 | 109.5° | 109.5° |
| C02 | C15 | H5 | 109.5° | 109.5° |
| C02 | C01 | N09 | 109.1° | 109.9° |
| C01 | C02 | C03 | 105.9° | 107.0° |
| C02 | C01 | H6 | 125.5° | 125.1° |
| C01 | N09 | C10 | 125.6° | 125.1° |
| C01 | N09 | C04 | 110.1° | 109.9° |
| N09 | C01 | H6 | 125.4° | 125.0° |
| C02 | C03 | C04 | 105.2° | 106.0° |
| C02 | C03 | C08 | 136.0° | 134.0° |
| C10 | N09 | C04 | 124.3° | 125.1° |
| N09 | C10 | C11 | 105.9° | 109.5° |
| N09 | C10 | H1 | 110.4° | 109.5° |
| N09 | C10 | H2 | 110.3° | 109.4° |
| N09 | C04 | C03 | 109.8° | 107.2° |
| N09 | C04 | C05 | 130.2° | 133.5° |
| C04 | C03 | C08 | 118.8° | 120.0° |
| C03 | C04 | C05 | 120.0° | 119.3° |
| C03 | C08 | C07 | 120.9° | 119.7° |
| C03 | C08 | H10 | 119.5° | 120.2° |
| C10 | C11 | C12 | 116.8° | 109.4° |
| C11 | C10 | H1 | 110.3° | 109.5° |
| C11 | C10 | H2 | 110.4° | 109.4° |
| C10 | C11 | H11 | 107.6° | 109.5° |
| C10 | C11 | H12 | 107.6° | 109.4° |
| C04 | C05 | C06 | 121.2° | 119.7° |
| C04 | C05 | H7 | 119.4° | 120.2° |
| O14 | C12 | O13 | 120.7° | 120.0° |
| O14 | C12 | C11 | 119.9° | 120.1° |
| O13 | C12 | C11 | 119.4° | 120.0° |
| C12 | O13 | H13 | 109.5° | 117.1° |
| C12 | C11 | H11 | 107.6° | 109.5° |
| C12 | C11 | H12 | 107.6° | 109.5° |
| C08 | C07 | C06 | 120.2° | 120.6° |
| C08 | C07 | H9 | 119.9° | 119.7° |
| C07 | C08 | H10 | 119.6° | 120.1° |
| C05 | C06 | C07 | 118.7° | 120.7° |
| C06 | C05 | H7 | 119.4° | 120.1° |
| C05 | C06 | H8 | 120.6° | 119.6° |
| C07 | C06 | H8 | 120.6° | 119.7° |
| C06 | C07 | H9 | 119.9° | 119.7° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.4° |
| H3 | C15 | H5 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C02 | C01 | C03 | 179.5° | 180.0° |
| C15 | C02 | C01 | N09 | 179.9° | 180.0° |
| C15 | C02 | C03 | C04 | 179.9° | 180.0° |
| C15 | C02 | C03 | C08 | 0.0° | 0.1° |
| C02 | C15 | H3 | H4 | 120.0° | 120.0° |
| C02 | C15 | H3 | H5 | 120.0° | 120.0° |
| C02 | C15 | H4 | H5 | 120.0° | 120.0° |
| C15 | C02 | C01 | H6 | 0.1° | 0.2° |
| C02 | C01 | N09 | H6 | 180.0° | 179.8° |
| C02 | C01 | N09 | C10 | 178.5° | 180.0° |
| C02 | C01 | N09 | C04 | 0.2° | 0.0° |
| C01 | C02 | C03 | C04 | 0.5° | 0.0° |
| C01 | C02 | C03 | C08 | 179.5° | 180.0° |
| C01 | C02 | C15 | H3 | 90.3° | 90.0° |
| C01 | C02 | C15 | H4 | 149.7° | 150.0° |
| C01 | C02 | C15 | H5 | 29.7° | 30.0° |
| N09 | C01 | C02 | C03 | 0.4° | 0.0° |
| C01 | N09 | C10 | C04 | 178.1° | 179.9° |
| C01 | N09 | C04 | C03 | 0.1° | 0.0° |
| C01 | N09 | C10 | C11 | 117.4° | 95.0° |
| C01 | N09 | C04 | C05 | 179.6° | 179.9° |
| C01 | N09 | C10 | H1 | 123.2° | 25.1° |
| C01 | N09 | C10 | H2 | 2.1° | 145.1° |
| C02 | C03 | C04 | N09 | 0.4° | 0.0° |
| C02 | C03 | C04 | C08 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 179.9° | 179.9° |
| C02 | C03 | C08 | C07 | 179.8° | 180.0° |
| C03 | C02 | C15 | H3 | 90.3° | 90.0° |
| C03 | C02 | C15 | H4 | 29.7° | 30.0° |
| C03 | C02 | C15 | H5 | 149.7° | 150.0° |
| C03 | C02 | C01 | H6 | 179.6° | 179.8° |
| C02 | C03 | C08 | H10 | 0.1° | 0.0° |
| C10 | N09 | C04 | C03 | 178.3° | 180.0° |
| N09 | C10 | C11 | H1 | 119.4° | 120.0° |
| N09 | C10 | C11 | H2 | 119.4° | 120.0° |
| C10 | N09 | C04 | C05 | 1.3° | 0.1° |
| N09 | C10 | C11 | C12 | 147.3° | 180.0° |
| N09 | C10 | H1 | H2 | 121.6° | 120.0° |
| C10 | N09 | C01 | H6 | 1.5° | 0.2° |
| N09 | C10 | C11 | H11 | 26.2° | 60.0° |
| N09 | C10 | C11 | H12 | 91.7° | 60.0° |
| N09 | C04 | C03 | C05 | 179.6° | 179.9° |
| N09 | C04 | C03 | C08 | 179.6° | 180.0° |
| C04 | N09 | C10 | C11 | 60.7° | 85.0° |
| N09 | C04 | C05 | C06 | 179.7° | 180.0° |
| C04 | N09 | C10 | H1 | 58.7° | 155.0° |
| C04 | N09 | C10 | H2 | 179.8° | 35.0° |
| C04 | N09 | C01 | H6 | 179.8° | 179.8° |
| N09 | C04 | C05 | H7 | 0.3° | 0.1° |
| C04 | C03 | C08 | C07 | 0.2° | 0.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.1° |
| C03 | C04 | C05 | H7 | 179.8° | 180.0° |
| C04 | C03 | C08 | H10 | 179.8° | 180.0° |
| C08 | C03 | C04 | C05 | 0.0° | 0.1° |
| C03 | C08 | C07 | H10 | 180.0° | 180.0° |
| C03 | C08 | C07 | C06 | 0.3° | 0.0° |
| C03 | C08 | C07 | H9 | 179.7° | 180.0° |
| C10 | C11 | C12 | O14 | 137.1° | 0.0° |
| C10 | C11 | C12 | O13 | 44.0° | 179.9° |
| C10 | C11 | C12 | H11 | 121.1° | 120.0° |
| C10 | C11 | C12 | H12 | 121.0° | 119.9° |
| C11 | C10 | H1 | H2 | 121.7° | 120.0° |
| C10 | C11 | H11 | H12 | 116.6° | 119.9° |
| C04 | C05 | C06 | H7 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C04 | C05 | C06 | H8 | 179.9° | 179.9° |
| O14 | C12 | O13 | C11 | 178.9° | 179.9° |
| O14 | C12 | C11 | H11 | 16.0° | 120.0° |
| O14 | C12 | C11 | H12 | 101.9° | 119.9° |
| O14 | C12 | O13 | H13 | 0.0° | 0.1° |
| O13 | C12 | C11 | H11 | 165.1° | 60.1° |
| O13 | C12 | C11 | H12 | 77.0° | 60.0° |
| C12 | C11 | C10 | H1 | 93.3° | 60.0° |
| C12 | C11 | C10 | H2 | 27.8° | 60.0° |
| C12 | C11 | H11 | H12 | 116.6° | 120.1° |
| C11 | C12 | O13 | H13 | 178.9° | 180.0° |
| C08 | C07 | C06 | C05 | 0.2° | 0.0° |
| C08 | C07 | C06 | H9 | 180.0° | 180.0° |
| C08 | C07 | C06 | H8 | 179.9° | 180.0° |
| C05 | C06 | C07 | H8 | 180.0° | 180.0° |
| C05 | C06 | C07 | H9 | 179.9° | 180.0° |
| C07 | C06 | C05 | H7 | 179.9° | 180.0° |
| C06 | C07 | C08 | H10 | 179.7° | 179.9° |
| H1 | C10 | C11 | H11 | 145.6° | 180.0° |
| H1 | C10 | C11 | H12 | 27.7° | 60.0° |
| H2 | C10 | C11 | H11 | 93.3° | 60.0° |
| H2 | C10 | C11 | H12 | 148.9° | 180.0° |
| H3 | C15 | H4 | H5 | 120.0° | 120.0° |
| H7 | C05 | C06 | H8 | 0.1° | 0.0° |
| H8 | C06 | C07 | H9 | 0.1° | 0.0° |
| H9 | C07 | C08 | H10 | 0.3° | 0.0° |
