YMN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C28 | doub | 1.30Å | 1.43Å | |
| C28 | N08 | sing | 1.37Å | 1.22Å | |
| C28 | N11 | sing | 1.37Å | 1.45Å | |
| N08 | C16 | sing | 1.47Å | 1.43Å | |
| C16 | C14 | sing | 1.51Å | 1.48Å | |
| I01 | C22 | sing | 2.09Å | 2.08Å | |
| C18 | C14 | doub | 1.38Å | 1.35Å | Aromatic |
| C18 | C22 | sing | 1.38Å | 1.35Å | Aromatic |
| C14 | C20 | sing | 1.38Å | 1.35Å | Aromatic |
| C22 | C26 | doub | 1.38Å | 1.35Å | Aromatic |
| C20 | C24 | doub | 1.38Å | 1.36Å | Aromatic |
| C26 | C24 | sing | 1.38Å | 1.36Å | Aromatic |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| N08 | H7 | sing | 0.97Å | 1.00Å | |
| N10 | H8 | sing | 0.97Å | 1.00Å | |
| N11 | H9 | sing | 0.97Å | 1.00Å | |
| N11 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C28 | N08 | 121.4° | 120.0° |
| N10 | C28 | N11 | 119.5° | 120.0° |
| C28 | N10 | H8 | 112.0° | 120.0° |
| N08 | C28 | N11 | 119.1° | 120.0° |
| C28 | N08 | C16 | 110.3° | 120.0° |
| C28 | N08 | H7 | 124.8° | 120.0° |
| C28 | N11 | H9 | 120.0° | 120.0° |
| C28 | N11 | H10 | 120.0° | 120.0° |
| N08 | C16 | C14 | 107.3° | 109.5° |
| N08 | C16 | H1 | 110.0° | 109.5° |
| N08 | C16 | H2 | 110.0° | 109.4° |
| C16 | N08 | H7 | 124.9° | 120.0° |
| C16 | C14 | C18 | 120.3° | 120.0° |
| C16 | C14 | C20 | 117.9° | 120.0° |
| C14 | C16 | H1 | 110.0° | 109.5° |
| C14 | C16 | H2 | 110.0° | 109.5° |
| I01 | C22 | C18 | 121.1° | 120.0° |
| I01 | C22 | C26 | 117.5° | 120.0° |
| C14 | C18 | C22 | 118.0° | 120.0° |
| C18 | C14 | C20 | 121.9° | 120.0° |
| C14 | C18 | H5 | 121.0° | 120.0° |
| C18 | C22 | C26 | 121.3° | 120.0° |
| C22 | C18 | H5 | 121.0° | 120.0° |
| C14 | C20 | C24 | 119.5° | 120.0° |
| C14 | C20 | H6 | 120.2° | 120.0° |
| C22 | C26 | C24 | 119.7° | 120.0° |
| C22 | C26 | H4 | 120.2° | 120.0° |
| C20 | C24 | C26 | 119.5° | 120.0° |
| C20 | C24 | H3 | 120.3° | 120.0° |
| C24 | C20 | H6 | 120.3° | 120.0° |
| C26 | C24 | H3 | 120.2° | 120.0° |
| C24 | C26 | H4 | 120.1° | 120.0° |
| H1 | C16 | H2 | 109.5° | 109.5° |
| H9 | N11 | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C28 | N08 | N11 | 179.2° | 180.0° |
| N10 | C28 | N08 | C16 | 178.6° | 0.0° |
| N10 | C28 | N08 | H7 | 1.4° | 180.0° |
| N10 | C28 | N11 | H9 | 179.3° | 180.0° |
| N10 | C28 | N11 | H10 | 0.8° | 0.0° |
| C28 | N08 | C16 | H7 | 180.0° | 180.0° |
| C28 | N08 | C16 | C14 | 162.8° | 180.0° |
| C28 | N08 | C16 | H1 | 77.5° | 59.9° |
| C28 | N08 | C16 | H2 | 43.1° | 60.0° |
| N08 | C28 | N10 | H8 | 179.2° | 180.0° |
| N08 | C28 | N11 | H9 | 0.0° | 0.1° |
| N08 | C28 | N11 | H10 | 180.0° | 180.0° |
| N11 | C28 | N08 | C16 | 0.6° | 180.0° |
| N11 | C28 | N08 | H7 | 179.4° | 0.0° |
| N11 | C28 | N10 | H8 | 0.0° | 0.0° |
| C28 | N11 | H9 | H10 | 180.0° | 180.0° |
| N08 | C16 | C14 | H1 | 119.7° | 120.0° |
| N08 | C16 | C14 | H2 | 119.7° | 119.9° |
| N08 | C16 | C14 | C18 | 139.1° | 89.8° |
| N08 | C16 | C14 | C20 | 42.3° | 90.0° |
| N08 | C16 | H1 | H2 | 121.0° | 119.9° |
| C16 | C14 | C18 | C20 | 178.6° | 179.7° |
| C16 | C14 | C18 | C22 | 178.8° | 179.7° |
| C16 | C14 | C20 | C24 | 178.8° | 180.0° |
| C14 | C16 | H1 | H2 | 121.0° | 120.0° |
| C16 | C14 | C18 | H5 | 1.2° | 0.3° |
| C16 | C14 | C20 | H6 | 1.2° | 0.0° |
| C14 | C16 | N08 | H7 | 17.2° | 0.0° |
| I01 | C22 | C18 | C14 | 180.0° | 179.7° |
| I01 | C22 | C18 | C26 | 179.9° | 179.8° |
| I01 | C22 | C26 | C24 | 179.7° | 180.0° |
| I01 | C22 | C26 | H4 | 0.3° | 0.3° |
| I01 | C22 | C18 | H5 | 0.0° | 0.3° |
| C14 | C18 | C22 | H5 | 180.0° | 180.0° |
| C14 | C18 | C22 | C26 | 0.1° | 0.0° |
| C18 | C14 | C20 | C24 | 0.2° | 0.3° |
| C18 | C14 | C16 | H1 | 19.4° | 30.3° |
| C18 | C14 | C16 | H2 | 101.2° | 150.3° |
| C18 | C14 | C20 | H6 | 179.8° | 179.7° |
| C22 | C18 | C14 | C20 | 0.2° | 0.0° |
| C18 | C22 | C26 | C24 | 0.2° | 0.3° |
| C18 | C22 | C26 | H4 | 179.8° | 180.0° |
| C14 | C20 | C24 | H6 | 180.0° | 180.0° |
| C14 | C20 | C24 | C26 | 0.1° | 0.6° |
| C20 | C14 | C16 | H1 | 162.0° | 150.0° |
| C20 | C14 | C16 | H2 | 77.4° | 30.0° |
| C14 | C20 | C24 | H3 | 179.9° | 180.0° |
| C20 | C14 | C18 | H5 | 179.8° | 180.0° |
| C22 | C26 | C24 | C20 | 0.3° | 0.6° |
| C22 | C26 | C24 | H4 | 180.0° | 179.7° |
| C22 | C26 | C24 | H3 | 179.7° | 180.0° |
| C26 | C22 | C18 | H5 | 180.0° | 180.0° |
| C20 | C24 | C26 | H3 | 180.0° | 179.4° |
| C20 | C24 | C26 | H4 | 179.7° | 179.7° |
| C26 | C24 | C20 | H6 | 179.9° | 179.4° |
| H1 | C16 | N08 | H7 | 102.5° | 120.0° |
| H2 | C16 | N08 | H7 | 136.9° | 120.0° |
| H3 | C24 | C26 | H4 | 0.3° | 0.3° |
| H3 | C24 | C20 | H6 | 0.1° | 0.0° |






