MNY
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 | 1.40Å | |
| C2 | C3 | sing | 1.41Å | 1.44Å | Aromatic |
| C2 | C16 | sing | 1.47Å | 1.50Å | |
| C3 | C4 | doub | 1.40Å | 1.44Å | Aromatic |
| C3 | C13 | sing | 1.47Å | 1.50Å | |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | O4 | sing | 1.36Å | 1.44Å | |
| 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 | 1.47Å | 1.50Å | |
| C13 | O13 | doub | 1.22Å | 1.24Å | |
| C14 | C15 | doub | 1.41Å | 1.44Å | Aromatic |
| C14 | C25 | sing | 1.40Å | 1.44Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.50Å | |
| C15 | C22 | sing | 1.40Å | 1.43Å | Aromatic |
| C16 | O16 | doub | 1.22Å | 1.24Å | |
| C22 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | N22 | sing | 1.39Å | 1.41Å | |
| C23 | C24 | sing | 1.37Å | 1.41Å | Aromatic |
| C23 | HC23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | HC24 | sing | 1.08Å | 1.10Å | |
| C25 | N25 | sing | 1.39Å | 1.44Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| N22 | H221 | sing | 0.97Å | 1.02Å | |
| N22 | H222 | sing | 0.97Å | 1.02Å | |
| N25 | H251 | sing | 0.97Å | 1.02Å | |
| N25 | H252 | sing | 0.97Å | 1.02Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.9° | 119.8° |
| C2 | C1 | O1 | 121.6° | 120.2° |
| C1 | C2 | C3 | 119.6° | 119.7° |
| C1 | C2 | C16 | 120.8° | 120.6° |
| C6 | C1 | O1 | 118.5° | 120.1° |
| C1 | C6 | C5 | 120.5° | 120.5° |
| C1 | C6 | HC6 | 119.6° | 119.7° |
| C1 | O1 | HO1 | 121.6° | 106.8° |
| C3 | C2 | C16 | 119.6° | 119.7° |
| C2 | C3 | C4 | 119.1° | 119.7° |
| C2 | C3 | C13 | 119.8° | 119.7° |
| C2 | C16 | C15 | 120.6° | 119.1° |
| C2 | C16 | O16 | 119.6° | 120.4° |
| C4 | C3 | C13 | 121.1° | 120.6° |
| C3 | C4 | C5 | 120.1° | 119.7° |
| C3 | C4 | O4 | 121.4° | 120.1° |
| C3 | C13 | C14 | 120.6° | 119.2° |
| C3 | C13 | O13 | 119.9° | 120.4° |
| C5 | C4 | O4 | 118.6° | 120.1° |
| C4 | C5 | C6 | 120.8° | 120.6° |
| C4 | C5 | HC5 | 119.7° | 119.7° |
| C4 | O4 | HO4 | 121.4° | 106.8° |
| C6 | C5 | HC5 | 119.5° | 119.7° |
| C5 | C6 | HC6 | 119.9° | 119.8° |
| C14 | C13 | O13 | 119.5° | 120.4° |
| C13 | C14 | C15 | 119.6° | 119.7° |
| C13 | C14 | C25 | 121.1° | 120.6° |
| C15 | C14 | C25 | 119.4° | 119.6° |
| C14 | C15 | C16 | 119.8° | 119.7° |
| C14 | C15 | C22 | 119.3° | 119.7° |
| C14 | C25 | C24 | 119.9° | 119.8° |
| C14 | C25 | N25 | 121.8° | 120.1° |
| C16 | C15 | C22 | 120.9° | 120.7° |
| C15 | C16 | O16 | 119.7° | 120.4° |
| C15 | C22 | C23 | 119.7° | 119.8° |
| C15 | C22 | N22 | 121.8° | 120.1° |
| C23 | C22 | N22 | 118.4° | 120.1° |
| C22 | C23 | C24 | 121.1° | 120.6° |
| C22 | C23 | HC23 | 119.5° | 119.7° |
| C22 | N22 | H221 | 107.8° | 120.0° |
| C22 | N22 | H222 | 121.9° | 120.0° |
| C24 | C23 | HC23 | 119.3° | 119.7° |
| C23 | C24 | C25 | 120.6° | 120.5° |
| C23 | C24 | HC24 | 119.8° | 119.7° |
| C25 | C24 | HC24 | 119.6° | 119.8° |
| C24 | C25 | N25 | 118.3° | 120.1° |
| C25 | N25 | H251 | 107.8° | 120.0° |
| C25 | N25 | H252 | 121.8° | 120.0° |
| H221 | N22 | H222 | 107.8° | 120.0° |
| H251 | N25 | H252 | 107.8° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O1 | 179.3° | 179.9° |
| C1 | C2 | C3 | C16 | 178.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.7° | 0.1° |
| C1 | C2 | C3 | C13 | 179.8° | 179.9° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C2 | C1 | C6 | HC6 | 179.4° | 179.9° |
| C1 | C2 | C16 | C15 | 179.8° | 166.2° |
| C1 | C2 | C16 | O16 | 0.8° | 13.5° |
| C2 | C1 | O1 | HO1 | 180.0° | 89.9° |
| C6 | C1 | C2 | C3 | 0.7° | 0.1° |
| C6 | C1 | C2 | C16 | 179.6° | 179.9° |
| C1 | C6 | C5 | C4 | 0.6° | 0.1° |
| C1 | C6 | C5 | HC6 | 180.0° | 179.9° |
| C1 | C6 | C5 | HC5 | 179.4° | 180.0° |
| C6 | C1 | O1 | HO1 | 0.7° | 90.0° |
| O1 | C1 | C2 | C3 | 180.0° | 180.0° |
| O1 | C1 | C2 | C16 | 1.1° | 0.0° |
| O1 | C1 | C6 | C5 | 179.9° | 179.9° |
| O1 | C1 | C6 | HC6 | 0.0° | 0.0° |
| C2 | C3 | C4 | C13 | 179.1° | 179.9° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C2 | C3 | C4 | O4 | 179.8° | 180.0° |
| C2 | C3 | C13 | C14 | 0.9° | 13.7° |
| C2 | C3 | C13 | O13 | 179.7° | 166.3° |
| C3 | C2 | C16 | C15 | 1.3° | 13.8° |
| C3 | C2 | C16 | O16 | 179.7° | 166.5° |
| C16 | C2 | C3 | C4 | 179.6° | 180.0° |
| C16 | C2 | C3 | C13 | 1.3° | 0.1° |
| C2 | C16 | C15 | C14 | 1.0° | 14.2° |
| C2 | C16 | C15 | O16 | 179.0° | 179.7° |
| C2 | C16 | C15 | C22 | 179.8° | 166.6° |
| C3 | C4 | C5 | O4 | 179.5° | 179.9° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C3 | C4 | C5 | HC5 | 179.4° | 179.9° |
| C4 | C3 | C13 | C14 | 180.0° | 166.3° |
| C4 | C3 | C13 | O13 | 0.7° | 13.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 90.0° |
| C13 | C3 | C4 | C5 | 179.8° | 180.0° |
| C13 | C3 | C4 | O4 | 0.7° | 0.1° |
| C3 | C13 | C14 | O13 | 179.3° | 180.0° |
| C3 | C13 | C14 | C15 | 0.6° | 13.4° |
| C3 | C13 | C14 | C25 | 179.8° | 166.4° |
| C4 | C5 | C6 | HC5 | 180.0° | 179.9° |
| C4 | C5 | C6 | HC6 | 179.4° | 180.0° |
| C5 | C4 | O4 | HO4 | 0.5° | 89.9° |
| O4 | C4 | C5 | C6 | 179.8° | 179.9° |
| O4 | C4 | C5 | HC5 | 0.2° | 0.0° |
| HC5 | C5 | C6 | HC6 | 0.6° | 0.0° |
| C13 | C14 | C15 | C25 | 179.2° | 179.8° |
| C13 | C14 | C15 | C16 | 0.6° | 0.5° |
| C13 | C14 | C15 | C22 | 179.9° | 179.8° |
| C13 | C14 | C25 | C24 | 179.9° | 179.9° |
| C13 | C14 | C25 | N25 | 0.4° | 0.0° |
| O13 | C13 | C14 | C15 | 179.9° | 166.7° |
| O13 | C13 | C14 | C25 | 0.8° | 13.5° |
| C14 | C15 | C16 | C22 | 179.2° | 179.2° |
| C14 | C15 | C16 | O16 | 180.0° | 166.1° |
| C14 | C15 | C22 | C23 | 0.8° | 0.5° |
| C14 | C15 | C22 | N22 | 179.8° | 179.8° |
| C15 | C14 | C25 | C24 | 0.6° | 0.1° |
| C15 | C14 | C25 | N25 | 179.6° | 179.8° |
| C25 | C14 | C15 | C16 | 179.8° | 179.6° |
| C25 | C14 | C15 | C22 | 0.9° | 0.4° |
| C14 | C25 | C24 | C23 | 0.3° | 0.1° |
| C14 | C25 | C24 | N25 | 179.8° | 179.9° |
| C14 | C25 | C24 | HC24 | 179.7° | 180.0° |
| C14 | C25 | N25 | H251 | 54.7° | 18.0° |
| C14 | C25 | N25 | H252 | 180.0° | 162.0° |
| C16 | C15 | C22 | C23 | 179.9° | 179.7° |
| C16 | C15 | C22 | N22 | 0.5° | 0.6° |
| C22 | C15 | C16 | O16 | 0.8° | 13.1° |
| C15 | C22 | C23 | N22 | 179.4° | 179.7° |
| C15 | C22 | C23 | C24 | 0.5° | 0.4° |
| C15 | C22 | C23 | HC23 | 179.5° | 179.7° |
| C15 | C22 | N22 | H221 | 54.7° | 162.2° |
| C15 | C22 | N22 | H222 | 180.0° | 17.6° |
| C22 | C23 | C24 | HC23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.2° | 0.1° |
| C22 | C23 | C24 | HC24 | 179.8° | 179.9° |
| C23 | C22 | N22 | H221 | 124.7° | 18.1° |
| C23 | C22 | N22 | H222 | 0.6° | 162.1° |
| N22 | C22 | C23 | C24 | 179.9° | 179.9° |
| N22 | C22 | C23 | HC23 | 0.0° | 0.0° |
| C22 | N22 | H221 | H222 | 133.2° | 179.9° |
| C23 | C24 | C25 | HC24 | 180.0° | 179.9° |
| C23 | C24 | C25 | N25 | 179.9° | 180.0° |
| HC23 | C23 | C24 | C25 | 179.7° | 180.0° |
| HC23 | C23 | C24 | HC24 | 0.2° | 0.1° |
| C24 | C25 | N25 | H251 | 125.1° | 161.9° |
| C24 | C25 | N25 | H252 | 0.2° | 18.1° |
| HC24 | C24 | C25 | N25 | 0.0° | 0.1° |
| C25 | N25 | H251 | H252 | 133.2° | 180.0° |
