52F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C09 | sing | 1.36Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | doub | 1.40Å | 1.43Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C08 | C13 | sing | 1.41Å | 1.44Å | Aromatic |
| C08 | N07 | sing | 1.35Å | 1.41Å | |
| C13 | N14 | sing | 1.38Å | 1.40Å | |
| N07 | C06 | doub | 1.30Å | 1.30Å | |
| N14 | C15 | sing | 1.35Å | 1.40Å | |
| C06 | C15 | sing | 1.47Å | 1.51Å | |
| C06 | C05 | sing | 1.51Å | 1.49Å | |
| C15 | O16 | doub | 1.22Å | 1.25Å | |
| C04 | C05 | sing | 1.53Å | 1.34Å | |
| C04 | C02 | sing | 1.51Å | 1.47Å | |
| C02 | O03 | doub | 1.21Å | 1.25Å | |
| C02 | O01 | sing | 1.34Å | 1.36Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| O01 | H2 | sing | 0.97Å | 0.95Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| N14 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 120.9° | 120.7° |
| C10 | C11 | C12 | 120.3° | 120.5° |
| C11 | C10 | H1 | 119.6° | 119.7° |
| C10 | C11 | H8 | 119.9° | 119.7° |
| C10 | C09 | C08 | 120.9° | 120.0° |
| C09 | C10 | H1 | 119.6° | 119.7° |
| C10 | C09 | H7 | 119.6° | 120.0° |
| C11 | C12 | C13 | 120.0° | 119.8° |
| C12 | C11 | H8 | 119.9° | 119.8° |
| C11 | C12 | H9 | 120.0° | 120.1° |
| C09 | C08 | C13 | 117.6° | 119.3° |
| C09 | C08 | N07 | 120.4° | 120.2° |
| C08 | C09 | H7 | 119.6° | 120.0° |
| C12 | C13 | C08 | 120.4° | 119.7° |
| C12 | C13 | N14 | 121.5° | 120.3° |
| C13 | C12 | H9 | 120.0° | 120.1° |
| C13 | C08 | N07 | 122.1° | 120.5° |
| C08 | C13 | N14 | 118.1° | 120.0° |
| C08 | N07 | C06 | 119.7° | 121.1° |
| C13 | N14 | C15 | 119.9° | 118.9° |
| C13 | N14 | H10 | 120.0° | 120.5° |
| N07 | C06 | C15 | 120.3° | 120.2° |
| N07 | C06 | C05 | 123.6° | 119.9° |
| N14 | C15 | C06 | 119.1° | 119.2° |
| N14 | C15 | O16 | 118.1° | 120.4° |
| C15 | N14 | H10 | 120.1° | 120.6° |
| C15 | C06 | C05 | 116.0° | 119.9° |
| C06 | C15 | O16 | 122.2° | 120.4° |
| C06 | C05 | C04 | 128.2° | 109.5° |
| C06 | C05 | H5 | 104.6° | 109.4° |
| C06 | C05 | H6 | 104.6° | 109.4° |
| C05 | C04 | C02 | 123.7° | 109.5° |
| C05 | C04 | H3 | 105.8° | 109.5° |
| C05 | C04 | H4 | 105.8° | 109.5° |
| C04 | C05 | H5 | 104.6° | 109.5° |
| C04 | C05 | H6 | 104.6° | 109.5° |
| C04 | C02 | O03 | 125.7° | 120.0° |
| C04 | C02 | O01 | 119.1° | 120.0° |
| C02 | C04 | H3 | 105.8° | 109.5° |
| C02 | C04 | H4 | 105.8° | 109.5° |
| O03 | C02 | O01 | 111.6° | 120.0° |
| C02 | O01 | H2 | 109.5° | 117.1° |
| H3 | C04 | H4 | 109.5° | 109.5° |
| H5 | C05 | H6 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 0.1° | 0.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C09 | H7 | 179.9° | 180.0° |
| C10 | C11 | C12 | H9 | 179.9° | 180.0° |
| C09 | C10 | C11 | C12 | 0.2° | 0.0° |
| C10 | C09 | C08 | H7 | 180.0° | 180.0° |
| C10 | C09 | C08 | C13 | 0.4° | 0.0° |
| C10 | C09 | C08 | N07 | 179.4° | 180.0° |
| C09 | C10 | C11 | H8 | 179.8° | 180.0° |
| C11 | C12 | C13 | H9 | 180.0° | 180.0° |
| C11 | C12 | C13 | C08 | 0.5° | 0.0° |
| C11 | C12 | C13 | N14 | 179.9° | 180.0° |
| C12 | C11 | C10 | H1 | 179.8° | 179.7° |
| C09 | C08 | C13 | C12 | 0.7° | 0.0° |
| C09 | C08 | C13 | N07 | 179.8° | 180.0° |
| C09 | C08 | C13 | N14 | 179.7° | 180.0° |
| C09 | C08 | N07 | C06 | 171.6° | 180.0° |
| C08 | C09 | C10 | H1 | 179.9° | 179.7° |
| C12 | C13 | C08 | N14 | 179.6° | 180.0° |
| C12 | C13 | C08 | N07 | 179.1° | 180.0° |
| C12 | C13 | N14 | C15 | 175.4° | 180.0° |
| C13 | C12 | C11 | H8 | 179.9° | 180.0° |
| C12 | C13 | N14 | H10 | 4.6° | 0.1° |
| C13 | C08 | N07 | C06 | 8.6° | 0.0° |
| C08 | C13 | N14 | C15 | 5.0° | 0.0° |
| C13 | C08 | C09 | H7 | 179.6° | 180.0° |
| C08 | C13 | C12 | H9 | 179.5° | 180.0° |
| C08 | C13 | N14 | H10 | 175.0° | 179.9° |
| N07 | C08 | C13 | N14 | 0.5° | 0.0° |
| C08 | N07 | C06 | C15 | 10.6° | 0.0° |
| C08 | N07 | C06 | C05 | 174.6° | 180.0° |
| N07 | C08 | C09 | H7 | 0.5° | 0.0° |
| C13 | N14 | C15 | H10 | 180.0° | 179.9° |
| C13 | N14 | C15 | C06 | 3.0° | 0.0° |
| C13 | N14 | C15 | O16 | 168.7° | 180.0° |
| N14 | C13 | C12 | H9 | 0.2° | 0.0° |
| N07 | C06 | C15 | N14 | 5.1° | 0.0° |
| N07 | C06 | C15 | C05 | 175.2° | 180.0° |
| N07 | C06 | C15 | O16 | 176.5° | 180.0° |
| N07 | C06 | C05 | C04 | 100.7° | 0.0° |
| N07 | C06 | C05 | H5 | 21.8° | 120.0° |
| N07 | C06 | C05 | H6 | 136.8° | 120.0° |
| N14 | C15 | C06 | O16 | 171.4° | 180.0° |
| N14 | C15 | C06 | C05 | 179.7° | 180.0° |
| C15 | C06 | C05 | C04 | 84.3° | 180.0° |
| C15 | C06 | C05 | H5 | 153.2° | 60.0° |
| C15 | C06 | C05 | H6 | 38.2° | 60.0° |
| C06 | C15 | N14 | H10 | 177.0° | 179.9° |
| C05 | C06 | C15 | O16 | 8.3° | 0.0° |
| C06 | C05 | C04 | H5 | 122.5° | 120.0° |
| C06 | C05 | C04 | H6 | 122.5° | 120.0° |
| C06 | C05 | C04 | C02 | 159.0° | 180.0° |
| C06 | C05 | C04 | H3 | 37.0° | 60.0° |
| C06 | C05 | C04 | H4 | 79.1° | 60.0° |
| C06 | C05 | H5 | H6 | 111.6° | 120.0° |
| O16 | C15 | N14 | H10 | 11.2° | 0.1° |
| C05 | C04 | C02 | H3 | 121.9° | 120.0° |
| C05 | C04 | C02 | H4 | 121.9° | 120.0° |
| C05 | C04 | C02 | O03 | 101.5° | 0.0° |
| C05 | C04 | C02 | O01 | 55.4° | 180.0° |
| C05 | C04 | H3 | H4 | 113.6° | 120.0° |
| C04 | C05 | H5 | H6 | 111.6° | 120.0° |
| C04 | C02 | O03 | O01 | 158.4° | 180.0° |
| C04 | C02 | O01 | H2 | 160.0° | 180.0° |
| C02 | C04 | H3 | H4 | 113.6° | 120.0° |
| C02 | C04 | C05 | H5 | 78.5° | 60.0° |
| C02 | C04 | C05 | H6 | 36.5° | 60.0° |
| O03 | C02 | O01 | H2 | 0.0° | 0.0° |
| O03 | C02 | C04 | H3 | 136.6° | 120.0° |
| O03 | C02 | C04 | H4 | 20.4° | 120.0° |
| O01 | C02 | C04 | H3 | 66.5° | 60.0° |
| O01 | C02 | C04 | H4 | 177.4° | 60.0° |
| H1 | C10 | C09 | H7 | 0.1° | 0.3° |
| H1 | C10 | C11 | H8 | 0.2° | 0.3° |
| H3 | C04 | C05 | H5 | 159.5° | NaN° |
| H3 | C04 | C05 | H6 | 85.4° | 60.0° |
| H4 | C04 | C05 | H5 | 43.4° | 60.0° |
| H4 | C04 | C05 | H6 | 158.5° | NaN° |
| H8 | C11 | C12 | H9 | 0.1° | 0.0° |
