HNA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.44Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.38Å | |
| C2 | C3 | sing | 1.41Å | 1.45Å | Aromatic |
| C2 | C16 | sing | 1.48Å | 1.52Å | |
| C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C13 | sing | 1.48Å | 1.52Å | |
| C4 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | N4 | sing | 1.48Å | 1.43Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.10Å | |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.48Å | 1.48Å | |
| C13 | O13 | doub | 1.22Å | 1.23Å | |
| C14 | C15 | doub | 1.41Å | 1.43Å | Aromatic |
| C14 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.49Å | |
| C15 | C22 | sing | 1.40Å | 1.44Å | Aromatic |
| C16 | O16 | doub | 1.22Å | 1.23Å | |
| C22 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | O22 | sing | 1.36Å | 1.39Å | |
| C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | HC23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | HC24 | sing | 1.08Å | 1.10Å | |
| C25 | HC25 | sing | 1.08Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| N4 | O4B | sing | 1.22Å | 1.28Å | |
| N4 | O4A | doub | 1.22Å | 1.26Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.3° | 119.7° |
| C2 | C1 | O1 | 121.8° | 120.2° |
| C1 | C2 | C3 | 119.6° | 119.6° |
| C1 | C2 | C16 | 119.8° | 120.7° |
| C6 | C1 | O1 | 117.8° | 120.2° |
| C1 | C6 | C5 | 119.4° | 120.4° |
| C1 | C6 | HC6 | 120.2° | 119.8° |
| C1 | O1 | HO1 | 121.8° | 106.8° |
| C3 | C2 | C16 | 120.5° | 119.7° |
| C2 | C3 | C4 | 119.0° | 119.8° |
| C2 | C3 | C13 | 117.7° | 119.6° |
| C2 | C16 | C15 | 120.5° | 119.2° |
| C2 | C16 | O16 | 120.0° | 120.4° |
| C4 | C3 | C13 | 123.2° | 120.6° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C3 | C4 | N4 | 126.3° | 120.0° |
| C3 | C13 | C14 | 121.2° | 119.2° |
| C3 | C13 | O13 | 122.1° | 120.4° |
| C5 | C4 | N4 | 113.8° | 120.0° |
| C4 | C5 | C6 | 121.6° | 120.5° |
| C4 | C5 | HC5 | 119.6° | 119.7° |
| C4 | N4 | O4B | 117.7° | 120.0° |
| C4 | N4 | O4A | 124.4° | 120.0° |
| C6 | C5 | HC5 | 118.8° | 119.7° |
| C5 | C6 | HC6 | 120.4° | 119.8° |
| C14 | C13 | O13 | 116.7° | 120.4° |
| C13 | C14 | C15 | 121.0° | 119.6° |
| C13 | C14 | C25 | 119.1° | 120.6° |
| C15 | C14 | C25 | 119.9° | 119.8° |
| C14 | C15 | C16 | 119.0° | 119.7° |
| C14 | C15 | C22 | 119.2° | 119.6° |
| C14 | C25 | C24 | 120.5° | 119.9° |
| C14 | C25 | HC25 | 120.1° | 120.1° |
| C16 | C15 | C22 | 121.8° | 120.6° |
| C15 | C16 | O16 | 119.4° | 120.4° |
| C15 | C22 | C23 | 119.8° | 119.6° |
| C15 | C22 | O22 | 122.0° | 120.2° |
| C23 | C22 | O22 | 118.2° | 120.2° |
| C22 | C23 | C24 | 120.5° | 120.4° |
| C22 | C23 | HC23 | 119.9° | 119.8° |
| C22 | O22 | HO22 | 122.0° | 106.8° |
| C24 | C23 | HC23 | 119.6° | 119.8° |
| C23 | C24 | C25 | 120.1° | 120.6° |
| C23 | C24 | HC24 | 120.0° | 119.7° |
| C25 | C24 | HC24 | 119.9° | 119.7° |
| C24 | C25 | HC25 | 119.5° | 120.0° |
| O4B | N4 | O4A | 117.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O1 | 178.3° | 180.0° |
| C1 | C2 | C3 | C16 | 177.0° | 179.9° |
| C1 | C2 | C3 | C4 | 3.3° | 0.1° |
| C1 | C2 | C3 | C13 | 179.6° | 179.9° |
| C2 | C1 | C6 | C5 | 1.5° | 0.1° |
| C2 | C1 | C6 | HC6 | 178.5° | 180.0° |
| C1 | C2 | C16 | C15 | 179.7° | 166.1° |
| C1 | C2 | C16 | O16 | 1.7° | 13.6° |
| C2 | C1 | O1 | HO1 | 180.0° | 90.0° |
| C6 | C1 | C2 | C3 | 2.5° | 0.1° |
| C6 | C1 | C2 | C16 | 179.5° | 179.9° |
| C1 | C6 | C5 | C4 | 1.3° | 0.0° |
| C1 | C6 | C5 | HC6 | 180.0° | 180.0° |
| C1 | C6 | C5 | HC5 | 178.7° | 180.0° |
| C6 | C1 | O1 | HO1 | 1.7° | 90.0° |
| O1 | C1 | C2 | C3 | 179.2° | 179.9° |
| O1 | C1 | C2 | C16 | 2.2° | 0.0° |
| O1 | C1 | C6 | C5 | 179.9° | 180.0° |
| O1 | C1 | C6 | HC6 | 0.2° | 0.0° |
| C2 | C3 | C4 | C13 | 176.0° | 180.0° |
| C2 | C3 | C4 | C5 | 3.2° | 0.0° |
| C2 | C3 | C4 | N4 | 179.2° | 179.9° |
| C2 | C3 | C13 | C14 | 3.2° | 13.7° |
| C2 | C3 | C13 | O13 | 179.2° | 166.4° |
| C3 | C2 | C16 | C15 | 2.8° | 13.9° |
| C3 | C2 | C16 | O16 | 178.7° | 166.3° |
| C16 | C2 | C3 | C4 | 179.7° | 180.0° |
| C16 | C2 | C3 | C13 | 3.5° | 0.0° |
| C2 | C16 | C15 | C14 | 1.5° | 14.2° |
| C2 | C16 | C15 | O16 | 178.6° | 179.8° |
| C2 | C16 | C15 | C22 | 179.3° | 166.5° |
| C3 | C4 | C5 | N4 | 177.9° | 180.0° |
| C3 | C4 | C5 | C6 | 2.2° | 0.0° |
| C3 | C4 | C5 | HC5 | 177.8° | 179.9° |
| C4 | C3 | C13 | C14 | 179.2° | 166.3° |
| C4 | C3 | C13 | O13 | 3.2° | 13.7° |
| C3 | C4 | N4 | O4B | 70.4° | 132.6° |
| C3 | C4 | N4 | O4A | 108.1° | 47.3° |
| C13 | C3 | C4 | C5 | 179.2° | 180.0° |
| C13 | C3 | C4 | N4 | 3.2° | 0.0° |
| C3 | C13 | C14 | O13 | 177.7° | 180.0° |
| C3 | C13 | C14 | C15 | 2.1° | 13.4° |
| C3 | C13 | C14 | C25 | 179.2° | 166.4° |
| C4 | C5 | C6 | HC5 | 180.0° | 180.0° |
| C4 | C5 | C6 | HC6 | 178.7° | 179.9° |
| C5 | C4 | N4 | O4B | 107.4° | 47.4° |
| C5 | C4 | N4 | O4A | 74.2° | 132.7° |
| N4 | C4 | C5 | C6 | 179.9° | 180.0° |
| N4 | C4 | C5 | HC5 | 0.1° | 0.0° |
| C4 | N4 | O4B | O4A | 178.5° | 179.9° |
| HC5 | C5 | C6 | HC6 | 1.3° | 0.1° |
| C13 | C14 | C15 | C25 | 178.8° | 179.8° |
| C13 | C14 | C15 | C16 | 1.2° | 0.5° |
| C13 | C14 | C15 | C22 | 179.6° | 179.8° |
| C13 | C14 | C25 | C24 | 179.4° | 179.9° |
| C13 | C14 | C25 | HC25 | 0.6° | 0.0° |
| O13 | C13 | C14 | C15 | 179.8° | 166.6° |
| O13 | C13 | C14 | C25 | 1.4° | 13.6° |
| C14 | C15 | C16 | C22 | 179.2° | 179.3° |
| C14 | C15 | C16 | O16 | 179.9° | 166.0° |
| C14 | C15 | C22 | C23 | 0.5° | 0.4° |
| C14 | C15 | C22 | O22 | 179.5° | 179.9° |
| C15 | C14 | C25 | C24 | 0.6° | 0.1° |
| C15 | C14 | C25 | HC25 | 179.4° | 179.8° |
| C25 | C14 | C15 | C16 | 179.9° | 179.7° |
| C25 | C14 | C15 | C22 | 0.8° | 0.4° |
| C14 | C25 | C24 | C23 | 0.1° | 0.0° |
| C14 | C25 | C24 | HC25 | 180.0° | 179.9° |
| C14 | C25 | C24 | HC24 | 179.9° | 180.0° |
| C16 | C15 | C22 | C23 | 179.8° | 179.7° |
| C16 | C15 | C22 | O22 | 0.3° | 0.6° |
| C22 | C15 | C16 | O16 | 0.7° | 13.3° |
| C15 | C22 | C23 | O22 | 180.0° | 179.7° |
| C15 | C22 | C23 | C24 | 0.0° | 0.2° |
| C15 | C22 | C23 | HC23 | 180.0° | 179.8° |
| C15 | C22 | O22 | HO22 | 180.0° | 90.3° |
| C22 | C23 | C24 | HC23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C22 | C23 | C24 | HC24 | 179.8° | 180.0° |
| C23 | C22 | O22 | HO22 | 0.0° | 90.0° |
| O22 | C22 | C23 | C24 | 180.0° | 180.0° |
| O22 | C22 | C23 | HC23 | 0.0° | 0.0° |
| C23 | C24 | C25 | HC24 | 180.0° | 180.0° |
| C23 | C24 | C25 | HC25 | 179.9° | 180.0° |
| HC23 | C23 | C24 | C25 | 179.8° | 180.0° |
| HC23 | C23 | C24 | HC24 | 0.2° | 0.0° |
| HC24 | C24 | C25 | HC25 | 0.1° | 0.1° |
