6DH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C02 | sing | 1.43Å | 1.38Å | |
| C02 | C03 | sing | 1.53Å | 1.49Å | |
| C03 | C04 | sing | 1.53Å | 1.49Å | |
| C04 | C05 | sing | 1.51Å | 1.49Å | |
| C05 | N | doub | 1.30Å | 1.37Å | Aromatic |
| C05 | N01 | sing | 1.36Å | 1.35Å | Aromatic |
| N | C | sing | 1.36Å | 1.39Å | Aromatic |
| N01 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C | C09 | doub | 1.40Å | 1.37Å | Aromatic |
| C | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C09 | C06 | sing | 1.37Å | 1.39Å | Aromatic |
| C10 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C01 | sing | 1.51Å | 1.49Å | |
| C01 | F | sing | 1.40Å | 1.33Å | |
| C01 | F02 | sing | 1.40Å | 1.33Å | |
| C01 | F01 | sing | 1.40Å | 1.33Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| N01 | H8 | sing | 0.97Å | 1.00Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C02 | C03 | 109.9° | 109.4° |
| C02 | O | H1 | 109.5° | 113.9° |
| O | C02 | H2 | 109.4° | 109.5° |
| O | C02 | H3 | 109.4° | 109.5° |
| C02 | C03 | C04 | 110.1° | 109.5° |
| C03 | C02 | H2 | 109.4° | 109.4° |
| C03 | C02 | H3 | 109.4° | 109.5° |
| C02 | C03 | H4 | 109.3° | 109.5° |
| C02 | C03 | H5 | 109.3° | 109.5° |
| C03 | C04 | C05 | 108.7° | 109.5° |
| C04 | C03 | H4 | 109.3° | 109.5° |
| C04 | C03 | H5 | 109.3° | 109.4° |
| C03 | C04 | H6 | 109.6° | 109.4° |
| C03 | C04 | H7 | 109.7° | 109.5° |
| C04 | C05 | N | 123.9° | 124.9° |
| C04 | C05 | N01 | 125.1° | 125.0° |
| C05 | C04 | H6 | 109.7° | 109.4° |
| C05 | C04 | H7 | 109.7° | 109.5° |
| N | C05 | N01 | 111.0° | 110.1° |
| C05 | N | C | 108.0° | 109.6° |
| C05 | N01 | C10 | 106.4° | 107.3° |
| C05 | N01 | H8 | 126.8° | 126.3° |
| N | C | C09 | 131.5° | 133.6° |
| N | C | C10 | 106.1° | 107.0° |
| N01 | C10 | C | 108.5° | 106.0° |
| N01 | C10 | C08 | 131.2° | 134.1° |
| C10 | N01 | H8 | 126.8° | 126.3° |
| C09 | C | C10 | 122.4° | 119.5° |
| C | C09 | C06 | 116.6° | 119.9° |
| C | C09 | H12 | 121.7° | 120.0° |
| C | C10 | C08 | 120.3° | 119.9° |
| C09 | C06 | C07 | 123.3° | 120.7° |
| C09 | C06 | H9 | 118.4° | 119.6° |
| C06 | C09 | H12 | 121.7° | 120.1° |
| C10 | C08 | C07 | 118.7° | 119.7° |
| C10 | C08 | H11 | 120.7° | 120.2° |
| C06 | C07 | C08 | 118.7° | 120.4° |
| C06 | C07 | C01 | 119.3° | 119.8° |
| C07 | C06 | H9 | 118.4° | 119.7° |
| C08 | C07 | C01 | 122.0° | 119.8° |
| C07 | C08 | H11 | 120.7° | 120.1° |
| C07 | C01 | F | 110.0° | 109.5° |
| C07 | C01 | F02 | 108.3° | 109.5° |
| C07 | C01 | F01 | 110.1° | 109.5° |
| F | C01 | F02 | 110.1° | 109.5° |
| F | C01 | F01 | 109.2° | 109.4° |
| F02 | C01 | F01 | 109.3° | 109.5° |
| H2 | C02 | H3 | 109.4° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H6 | C04 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C02 | C03 | H2 | 120.1° | 119.9° |
| O | C02 | C03 | H3 | 120.1° | 120.0° |
| O | C02 | C03 | C04 | 165.5° | 180.0° |
| O | C02 | H2 | H3 | 119.8° | 120.1° |
| O | C02 | C03 | H4 | 45.4° | 60.0° |
| O | C02 | C03 | H5 | 74.4° | 60.0° |
| C02 | C03 | C04 | H4 | 120.1° | 120.0° |
| C02 | C03 | C04 | H5 | 120.1° | 120.0° |
| C02 | C03 | C04 | C05 | 179.3° | 180.0° |
| C03 | C02 | O | H1 | 180.0° | 180.0° |
| C03 | C02 | H2 | H3 | 119.8° | 120.0° |
| C02 | C03 | H4 | H5 | 119.7° | 120.0° |
| C02 | C03 | C04 | H6 | 59.4° | 60.0° |
| C02 | C03 | C04 | H7 | 60.8° | 60.0° |
| C03 | C04 | C05 | H6 | 119.8° | 119.9° |
| C03 | C04 | C05 | H7 | 119.9° | 120.0° |
| C03 | C04 | C05 | N | 140.4° | 55.1° |
| C03 | C04 | C05 | N01 | 39.5° | 125.0° |
| C04 | C03 | C02 | H2 | 74.4° | 60.0° |
| C04 | C03 | C02 | H3 | 45.4° | 60.0° |
| C04 | C03 | H4 | H5 | 119.7° | 119.9° |
| C03 | C04 | H6 | H7 | 120.4° | 120.0° |
| C04 | C05 | N | N01 | 179.9° | 179.9° |
| C04 | C05 | N | C | 179.8° | 180.0° |
| C04 | C05 | N01 | C10 | 179.9° | 180.0° |
| C05 | C04 | C03 | H4 | 60.6° | 60.0° |
| C05 | C04 | C03 | H5 | 59.2° | 60.0° |
| C05 | C04 | H6 | H7 | 120.4° | 120.0° |
| C04 | C05 | N01 | H8 | 0.1° | 0.3° |
| N | C05 | N01 | C10 | 0.2° | 0.0° |
| C05 | N | C | C09 | 179.8° | 180.0° |
| C05 | N | C | C10 | 0.3° | 0.0° |
| N | C05 | C04 | H6 | 99.8° | 175.0° |
| N | C05 | C04 | H7 | 20.5° | 64.9° |
| N | C05 | N01 | H8 | 179.8° | 179.7° |
| N01 | C05 | N | C | 0.3° | 0.0° |
| C05 | N01 | C10 | H8 | 180.0° | 179.7° |
| C05 | N01 | C10 | C | 0.0° | 0.0° |
| C05 | N01 | C10 | C08 | 179.9° | 179.8° |
| N01 | C05 | C04 | H6 | 80.3° | 5.0° |
| N01 | C05 | C04 | H7 | 159.4° | 115.0° |
| N | C | C10 | N01 | 0.1° | 0.0° |
| N | C | C09 | C10 | 179.5° | 180.0° |
| N | C | C09 | C06 | 179.8° | 180.0° |
| N | C | C10 | C08 | 180.0° | 179.8° |
| N | C | C09 | H12 | 0.2° | 0.1° |
| N01 | C10 | C | C09 | 179.7° | 180.0° |
| N01 | C10 | C | C08 | 179.9° | 179.8° |
| N01 | C10 | C08 | C07 | 180.0° | 180.0° |
| N01 | C10 | C08 | H11 | 0.1° | 0.1° |
| C | C09 | C06 | H12 | 180.0° | 179.9° |
| C09 | C | C10 | C08 | 0.4° | 0.1° |
| C | C09 | C06 | C07 | 0.0° | 0.2° |
| C | C09 | C06 | H9 | 180.0° | 179.9° |
| C10 | C | C09 | C06 | 0.3° | 0.1° |
| C | C10 | C08 | C07 | 0.1° | 0.2° |
| C | C10 | N01 | H8 | 180.0° | 179.7° |
| C | C10 | C08 | H11 | 179.9° | 179.7° |
| C10 | C | C09 | H12 | 179.7° | 179.9° |
| C09 | C06 | C07 | H9 | 180.0° | 180.0° |
| C09 | C06 | C07 | C08 | 0.3° | 0.1° |
| C09 | C06 | C07 | C01 | 179.8° | 179.9° |
| C10 | C08 | C07 | C06 | 0.2° | 0.1° |
| C10 | C08 | C07 | H11 | 180.0° | 180.0° |
| C10 | C08 | C07 | C01 | 179.9° | 179.8° |
| C08 | C10 | N01 | H8 | 0.2° | 0.1° |
| C06 | C07 | C08 | C01 | 179.9° | 180.0° |
| C06 | C07 | C01 | F | 111.6° | 0.0° |
| C06 | C07 | C01 | F02 | 8.7° | 120.0° |
| C06 | C07 | C01 | F01 | 128.1° | 119.9° |
| C06 | C07 | C08 | H11 | 179.8° | 179.8° |
| C07 | C06 | C09 | H12 | 180.0° | 180.0° |
| C08 | C07 | C01 | F | 68.3° | 179.9° |
| C08 | C07 | C01 | F02 | 171.4° | 60.1° |
| C08 | C07 | C01 | F01 | 52.0° | 60.0° |
| C08 | C07 | C06 | H9 | 179.7° | 179.9° |
| C07 | C01 | F | F02 | 119.2° | 120.0° |
| C07 | C01 | F | F01 | 120.9° | 120.0° |
| C07 | C01 | F02 | F01 | 119.9° | 120.1° |
| C01 | C07 | C06 | H9 | 0.2° | 0.0° |
| C01 | C07 | C08 | H11 | 0.2° | 0.2° |
| F | C01 | F02 | F01 | 119.8° | 119.9° |
| H1 | O | C02 | H2 | 59.9° | 60.0° |
| H1 | O | C02 | H3 | 59.9° | 60.0° |
| H2 | C02 | C03 | H4 | 165.5° | 180.0° |
| H2 | C02 | C03 | H5 | 45.7° | 59.9° |
| H3 | C02 | C03 | H4 | 74.7° | 60.0° |
| H3 | C02 | C03 | H5 | 165.5° | 180.0° |
| H4 | C03 | C04 | H6 | 179.5° | 179.9° |
| H4 | C03 | C04 | H7 | 59.3° | 60.0° |
| H5 | C03 | C04 | H6 | 60.7° | 60.0° |
| H5 | C03 | C04 | H7 | 179.1° | 180.0° |
| H9 | C06 | C09 | H12 | 0.0° | 0.0° |
