MNX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.40Å | |
| C2 | C3 | sing | 1.40Å | 1.44Å | Aromatic |
| C2 | C16 | sing | 1.48Å | 1.49Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | O13 | sing | 1.34Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.10Å | |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| O13 | C14 | sing | 1.34Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.44Å | Aromatic |
| C14 | C25 | sing | 1.40Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.49Å | Aromatic |
| C15 | C22 | sing | 1.40Å | 1.43Å | Aromatic |
| C16 | O16 | doub | 1.22Å | 1.24Å | |
| C22 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | O22 | sing | 1.36Å | 1.39Å | |
| C23 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | HC23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | HC24 | sing | 1.08Å | 1.10Å | |
| C25 | N25 | sing | 1.48Å | 1.45Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| N25 | O2B | sing | 1.22Å | 1.37Å | |
| N25 | O2A | doub | 1.22Å | 1.37Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.6° | 119.4° |
| C2 | C1 | O1 | 121.4° | 120.2° |
| C1 | C2 | C3 | 119.4° | 121.1° |
| C1 | C2 | C16 | 122.2° | 120.9° |
| C6 | C1 | O1 | 119.0° | 120.3° |
| C1 | C6 | C5 | 120.4° | 119.7° |
| C1 | C6 | HC6 | 119.8° | 120.2° |
| C1 | O1 | HO1 | 121.4° | 106.8° |
| C3 | C2 | C16 | 118.3° | 118.0° |
| C2 | C3 | C4 | 120.2° | 118.0° |
| C2 | C3 | O13 | 120.7° | 123.4° |
| C2 | C16 | C15 | 118.9° | 113.7° |
| C2 | C16 | O16 | 120.2° | 123.2° |
| C4 | C3 | O13 | 119.1° | 118.6° |
| C3 | C4 | C5 | 120.2° | 120.7° |
| C3 | C4 | HC4 | 119.9° | 119.7° |
| C3 | O13 | C14 | 123.4° | 116.6° |
| C5 | C4 | HC4 | 119.9° | 119.7° |
| C4 | C5 | C6 | 120.2° | 121.1° |
| C4 | C5 | HC5 | 119.7° | 119.5° |
| C6 | C5 | HC5 | 120.2° | 119.4° |
| C5 | C6 | HC6 | 119.8° | 120.1° |
| O13 | C14 | C15 | 120.3° | 123.5° |
| O13 | C14 | C25 | 120.0° | 118.6° |
| C15 | C14 | C25 | 119.7° | 117.9° |
| C14 | C15 | C16 | 118.4° | 117.9° |
| C14 | C15 | C22 | 119.6° | 121.2° |
| C14 | C25 | C24 | 119.7° | 120.7° |
| C14 | C25 | N25 | 121.9° | 119.7° |
| C16 | C15 | C22 | 122.0° | 120.9° |
| C15 | C16 | O16 | 120.9° | 123.1° |
| C15 | C22 | C23 | 120.0° | 119.4° |
| C15 | C22 | O22 | 122.0° | 120.3° |
| C23 | C22 | O22 | 117.9° | 120.3° |
| C22 | C23 | C24 | 120.4° | 119.7° |
| C22 | C23 | HC23 | 119.6° | 120.2° |
| C22 | O22 | HO22 | 122.0° | 106.8° |
| C24 | C23 | HC23 | 119.9° | 120.2° |
| C23 | C24 | C25 | 120.6° | 121.1° |
| C23 | C24 | HC24 | 119.6° | 119.4° |
| C25 | C24 | HC24 | 119.7° | 119.5° |
| C24 | C25 | N25 | 118.5° | 119.7° |
| C25 | N25 | O2B | 121.6° | 120.0° |
| C25 | N25 | O2A | 119.5° | 120.0° |
| O2B | N25 | O2A | 118.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O1 | 178.8° | 179.7° |
| C1 | C2 | C3 | C16 | 178.3° | 179.6° |
| C1 | C2 | C3 | C4 | 1.5° | 3.2° |
| C1 | C2 | C3 | O13 | 179.7° | 176.6° |
| C2 | C1 | C6 | C5 | 0.9° | 0.8° |
| C2 | C1 | C6 | HC6 | 179.1° | 179.1° |
| C1 | C2 | C16 | C15 | 179.8° | 163.8° |
| C1 | C2 | C16 | O16 | 1.1° | 16.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 90.3° |
| C6 | C1 | C2 | C3 | 1.3° | 2.8° |
| C6 | C1 | C2 | C16 | 179.6° | 177.5° |
| C1 | C6 | C5 | C4 | 0.7° | 0.8° |
| C1 | C6 | C5 | HC6 | 180.0° | 180.0° |
| C1 | C6 | C5 | HC5 | 179.3° | 179.3° |
| C6 | C1 | O1 | HO1 | 1.3° | 90.0° |
| O1 | C1 | C2 | C3 | 179.9° | 177.5° |
| O1 | C1 | C2 | C16 | 1.7° | 2.1° |
| O1 | C1 | C6 | C5 | 179.7° | 179.5° |
| O1 | C1 | C6 | HC6 | 0.3° | 0.5° |
| C2 | C3 | C4 | O13 | 178.3° | 179.7° |
| C2 | C3 | C4 | C5 | 1.2° | 1.5° |
| C2 | C3 | C4 | HC4 | 178.8° | 178.5° |
| C2 | C3 | O13 | C14 | 1.3° | 24.4° |
| C3 | C2 | C16 | C15 | 1.9° | 16.6° |
| C3 | C2 | C16 | O16 | 179.4° | 163.6° |
| C16 | C2 | C3 | C4 | 179.8° | 177.2° |
| C16 | C2 | C3 | O13 | 2.0° | 3.1° |
| C2 | C16 | C15 | C14 | 1.1° | 15.7° |
| C2 | C16 | C15 | O16 | 178.7° | 179.8° |
| C2 | C16 | C15 | C22 | 179.1° | 163.0° |
| C3 | C4 | C5 | HC4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.8° | 0.4° |
| C3 | C4 | C5 | HC5 | 179.2° | 179.6° |
| C4 | C3 | O13 | C14 | 179.5° | 155.9° |
| O13 | C3 | C4 | C5 | 179.5° | 178.2° |
| O13 | C3 | C4 | HC4 | 0.5° | 1.7° |
| C3 | O13 | C14 | C15 | 0.4° | 25.4° |
| C3 | O13 | C14 | C25 | 180.0° | 154.7° |
| C4 | C5 | C6 | HC5 | 180.0° | 180.0° |
| C4 | C5 | C6 | HC6 | 179.4° | 179.3° |
| HC4 | C4 | C5 | C6 | 179.2° | 179.5° |
| HC4 | C4 | C5 | HC5 | 0.8° | 0.4° |
| HC5 | C5 | C6 | HC6 | 0.7° | 0.7° |
| O13 | C14 | C15 | C25 | 179.6° | 179.8° |
| O13 | C14 | C15 | C16 | 0.4° | 5.0° |
| O13 | C14 | C15 | C22 | 179.8° | 176.3° |
| O13 | C14 | C25 | C24 | 179.6° | 178.1° |
| O13 | C14 | C25 | N25 | 0.0° | 2.0° |
| C14 | C15 | C16 | C22 | 179.8° | 178.7° |
| C14 | C15 | C16 | O16 | 179.8° | 164.5° |
| C14 | C15 | C22 | C23 | 0.1° | 3.0° |
| C14 | C15 | C22 | O22 | 180.0° | 177.0° |
| C15 | C14 | C25 | C24 | 0.0° | 1.8° |
| C15 | C14 | C25 | N25 | 179.6° | 178.1° |
| C25 | C14 | C15 | C16 | 180.0° | 175.2° |
| C25 | C14 | C15 | C22 | 0.2° | 3.5° |
| C14 | C25 | C24 | C23 | 0.2° | 0.5° |
| C14 | C25 | C24 | N25 | 179.7° | 179.9° |
| C14 | C25 | C24 | HC24 | 179.8° | 179.6° |
| C14 | C25 | N25 | O2B | 0.3° | 180.0° |
| C14 | C25 | N25 | O2A | 179.7° | 0.1° |
| C16 | C15 | C22 | C23 | 179.9° | 175.6° |
| C16 | C15 | C22 | O22 | 0.1° | 4.4° |
| C22 | C15 | C16 | O16 | 0.4° | 16.8° |
| C15 | C22 | C23 | O22 | 180.0° | 180.0° |
| C15 | C22 | C23 | C24 | 0.2° | 0.7° |
| C15 | C22 | C23 | HC23 | 179.8° | 179.2° |
| C15 | C22 | O22 | HO22 | 180.0° | 90.0° |
| C22 | C23 | C24 | HC23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.3° | 1.0° |
| C22 | C23 | C24 | HC24 | 179.7° | 179.1° |
| C23 | C22 | O22 | HO22 | 0.0° | 90.0° |
| O22 | C22 | C23 | C24 | 179.8° | 179.3° |
| O22 | C22 | C23 | HC23 | 0.2° | 0.8° |
| C23 | C24 | C25 | HC24 | 180.0° | 179.9° |
| C23 | C24 | C25 | N25 | 179.9° | 179.6° |
| HC23 | C23 | C24 | C25 | 179.7° | 179.1° |
| HC23 | C23 | C24 | HC24 | 0.3° | 0.8° |
| C24 | C25 | N25 | O2B | 180.0° | 0.1° |
| C24 | C25 | N25 | O2A | 0.1° | 180.0° |
| HC24 | C24 | C25 | N25 | 0.1° | 0.3° |
| C25 | N25 | O2B | O2A | 180.0° | 179.9° |
