9FH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C08 | sing | 1.51Å | 1.52Å | |
| O14 | C12 | doub | 1.22Å | 1.26Å | |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.42Å | Aromatic |
| C08 | N07 | sing | 1.35Å | 1.32Å | Aromatic |
| C12 | C09 | sing | 1.47Å | 1.49Å | |
| C12 | O13 | sing | 1.35Å | 1.25Å | |
| C05 | N07 | sing | 1.40Å | 1.41Å | |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| N07 | N11 | sing | 1.40Å | 1.31Å | Aromatic |
| N11 | C10 | doub | 1.30Å | 1.33Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.08Å | 1.08Å | |
| C02 | H6 | sing | 1.08Å | 1.08Å | |
| C03 | H7 | sing | 1.08Å | 1.08Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| O13 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C08 | C09 | 127.1° | 126.3° |
| C15 | C08 | N07 | 126.8° | 126.3° |
| C08 | C15 | H2 | 109.5° | 109.4° |
| C08 | C15 | H3 | 109.4° | 109.5° |
| C08 | C15 | H4 | 109.5° | 109.5° |
| O14 | C12 | C09 | 119.2° | 120.0° |
| O14 | C12 | O13 | 121.2° | 120.0° |
| C04 | C03 | C02 | 119.3° | 120.0° |
| C03 | C04 | C05 | 119.6° | 119.9° |
| C04 | C03 | H7 | 120.4° | 120.0° |
| C03 | C04 | H8 | 120.2° | 120.1° |
| C03 | C02 | C01 | 120.7° | 120.2° |
| C03 | C02 | H6 | 119.7° | 119.9° |
| C02 | C03 | H7 | 120.4° | 120.0° |
| C04 | C05 | N07 | 120.0° | 120.1° |
| C04 | C05 | C06 | 121.4° | 119.9° |
| C05 | C04 | H8 | 120.2° | 120.0° |
| C02 | C01 | C06 | 120.1° | 120.1° |
| C02 | C01 | H5 | 119.9° | 120.0° |
| C01 | C02 | H6 | 119.6° | 120.0° |
| C09 | C08 | N07 | 106.1° | 107.4° |
| C08 | C09 | C12 | 126.0° | 126.4° |
| C08 | C09 | C10 | 105.3° | 107.1° |
| C08 | N07 | C05 | 123.5° | 125.7° |
| C08 | N07 | N11 | 111.6° | 108.5° |
| C09 | C12 | O13 | 119.6° | 120.0° |
| C12 | C09 | C10 | 128.8° | 126.5° |
| C12 | O13 | H10 | 109.5° | 117.0° |
| N07 | C05 | C06 | 118.5° | 120.0° |
| C05 | N07 | N11 | 124.8° | 125.8° |
| C05 | C06 | C01 | 118.9° | 119.9° |
| C05 | C06 | H9 | 120.6° | 120.0° |
| C09 | C10 | N11 | 106.6° | 108.1° |
| C09 | C10 | H1 | 126.7° | 125.9° |
| C06 | C01 | H5 | 120.0° | 119.9° |
| C01 | C06 | H9 | 120.5° | 120.1° |
| N07 | N11 | C10 | 110.4° | 109.0° |
| N11 | C10 | H1 | 126.7° | 126.0° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H4 | 109.4° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C08 | C09 | N07 | 179.2° | 179.9° |
| C15 | C08 | C09 | C12 | 0.6° | 0.1° |
| C15 | C08 | N07 | C05 | 1.1° | 0.0° |
| C15 | C08 | C09 | C10 | 179.9° | 180.0° |
| C15 | C08 | N07 | N11 | 180.0° | 179.9° |
| C08 | C15 | H2 | H3 | 120.0° | 119.9° |
| C08 | C15 | H2 | H4 | 120.0° | 120.0° |
| C08 | C15 | H3 | H4 | 120.0° | 120.1° |
| O14 | C12 | C09 | C08 | 10.4° | 0.1° |
| O14 | C12 | C09 | O13 | 179.3° | 180.0° |
| O14 | C12 | C09 | C10 | 170.3° | 180.0° |
| O14 | C12 | O13 | H10 | 0.0° | 0.0° |
| C04 | C03 | C02 | H7 | 180.0° | 180.0° |
| C03 | C04 | C05 | H8 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 0.5° | 0.0° |
| C03 | C04 | C05 | N07 | 179.6° | 180.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C04 | C03 | C02 | H6 | 179.5° | 180.0° |
| C02 | C03 | C04 | C05 | 0.5° | 0.0° |
| C03 | C02 | C01 | H6 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.1° | 0.0° |
| C03 | C02 | C01 | H5 | 179.9° | 179.7° |
| C02 | C03 | C04 | H8 | 179.5° | 179.9° |
| C04 | C05 | N07 | C08 | 68.4° | 42.3° |
| C04 | C05 | N07 | C06 | 179.9° | 180.0° |
| C04 | C05 | C06 | C01 | 0.1° | 0.0° |
| C04 | C05 | N07 | N11 | 112.8° | 137.5° |
| C05 | C04 | C03 | H7 | 179.5° | 180.0° |
| C04 | C05 | C06 | H9 | 179.9° | 179.7° |
| C02 | C01 | C06 | C05 | 0.2° | 0.0° |
| C02 | C01 | C06 | H5 | 180.0° | 179.7° |
| C01 | C02 | C03 | H7 | 179.5° | 179.9° |
| C02 | C01 | C06 | H9 | 179.8° | 179.7° |
| C08 | C09 | C12 | C10 | 179.3° | 179.9° |
| C08 | C09 | C12 | O13 | 168.9° | 180.0° |
| C09 | C08 | N07 | C05 | 179.7° | 179.9° |
| C09 | C08 | N07 | N11 | 0.7° | 0.1° |
| C08 | C09 | C10 | N11 | 0.4° | 0.2° |
| C08 | C09 | C10 | H1 | 179.6° | 180.0° |
| C09 | C08 | C15 | H2 | 89.5° | 84.8° |
| C09 | C08 | C15 | H3 | 150.5° | 155.2° |
| C09 | C08 | C15 | H4 | 30.5° | 35.1° |
| N07 | C08 | C09 | C12 | 179.8° | 179.9° |
| C08 | N07 | C05 | N11 | 178.8° | 179.8° |
| C08 | N07 | C05 | C06 | 111.5° | 137.8° |
| N07 | C08 | C09 | C10 | 0.7° | 0.1° |
| C08 | N07 | N11 | C10 | 0.5° | 0.2° |
| N07 | C08 | C15 | H2 | 89.6° | 95.1° |
| N07 | C08 | C15 | H3 | 30.4° | 24.8° |
| N07 | C08 | C15 | H4 | 150.4° | 145.0° |
| C12 | C09 | C10 | N11 | 179.9° | 179.8° |
| C12 | C09 | C10 | H1 | 0.1° | 0.0° |
| C09 | C12 | O13 | H10 | 179.2° | 179.9° |
| O13 | C12 | C09 | C10 | 10.4° | 0.1° |
| N07 | C05 | C06 | C01 | 180.0° | 180.0° |
| C05 | N07 | N11 | C10 | 179.4° | 180.0° |
| N07 | C05 | C04 | H8 | 0.3° | 0.0° |
| N07 | C05 | C06 | H9 | 0.0° | 0.3° |
| C05 | C06 | C01 | H9 | 180.0° | 179.7° |
| C06 | C05 | N07 | N11 | 67.3° | 42.4° |
| C05 | C06 | C01 | H5 | 179.8° | 179.7° |
| C06 | C05 | C04 | H8 | 179.8° | 179.9° |
| C09 | C10 | N11 | N07 | 0.0° | 0.2° |
| C09 | C10 | N11 | H1 | 180.0° | 179.8° |
| C06 | C01 | C02 | H6 | 179.9° | 180.0° |
| N07 | N11 | C10 | H1 | 180.0° | 180.0° |
| H2 | C15 | H3 | H4 | 120.0° | 120.0° |
| H5 | C01 | C02 | H6 | 0.1° | 0.3° |
| H5 | C01 | C06 | H9 | 0.2° | 0.0° |
| H6 | C02 | C03 | H7 | 0.5° | 0.1° |
| H7 | C03 | C04 | H8 | 0.5° | 0.0° |
