M4N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| O15 | C03 | doub | 1.22Å | 1.19Å | |
| C08 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.48Å | 1.53Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C07 | sing | 1.41Å | 1.41Å | Aromatic |
| C14 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C07 | N06 | doub | 1.32Å | 1.31Å | Aromatic |
| C04 | C03 | sing | 1.47Å | 1.51Å | |
| C04 | N05 | sing | 1.37Å | 1.30Å | Aromatic |
| N06 | N05 | sing | 1.28Å | 1.34Å | Aromatic |
| C03 | N02 | sing | 1.35Å | 1.45Å | |
| N02 | C01 | sing | 1.46Å | 1.45Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| N02 | H10 | sing | 0.97Å | 1.00Å | |
| N05 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 119.4° | 120.1° |
| C10 | C09 | C08 | 121.0° | 119.9° |
| C09 | C10 | H1 | 120.3° | 119.9° |
| C10 | C09 | H6 | 119.5° | 120.0° |
| C10 | C11 | C12 | 119.8° | 120.3° |
| C11 | C10 | H1 | 120.3° | 120.0° |
| C10 | C11 | H7 | 120.1° | 119.8° |
| C09 | C08 | C13 | 119.4° | 119.7° |
| C09 | C08 | C07 | 119.5° | 120.1° |
| C08 | C09 | H6 | 119.5° | 120.1° |
| C11 | C12 | C13 | 120.6° | 120.1° |
| C12 | C11 | H7 | 120.1° | 119.9° |
| C11 | C12 | H8 | 119.7° | 120.0° |
| O15 | C03 | C04 | 119.9° | 120.0° |
| O15 | C03 | N02 | 121.9° | 120.0° |
| C13 | C08 | C07 | 121.1° | 120.1° |
| C08 | C13 | C12 | 119.7° | 119.9° |
| C08 | C13 | H2 | 120.1° | 120.0° |
| C08 | C07 | C14 | 125.9° | 126.2° |
| C08 | C07 | N06 | 127.0° | 126.2° |
| C12 | C13 | H2 | 120.1° | 120.1° |
| C13 | C12 | H8 | 119.7° | 119.9° |
| C07 | C14 | C04 | 104.7° | 105.3° |
| C14 | C07 | N06 | 107.1° | 107.5° |
| C07 | C14 | H9 | 127.7° | 127.3° |
| C14 | C04 | C03 | 126.6° | 126.8° |
| C14 | C04 | N05 | 108.1° | 106.5° |
| C04 | C14 | H9 | 127.7° | 127.4° |
| C07 | N06 | N05 | 110.7° | 110.8° |
| C03 | C04 | N05 | 125.2° | 126.8° |
| C04 | C03 | N02 | 118.2° | 120.0° |
| C04 | N05 | N06 | 109.3° | 109.9° |
| C04 | N05 | H11 | 125.4° | 125.1° |
| N06 | N05 | H11 | 125.3° | 125.1° |
| C03 | N02 | C01 | 120.6° | 120.0° |
| C03 | N02 | H10 | 119.7° | 120.0° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C01 | H4 | 109.5° | 109.5° |
| N02 | C01 | H5 | 109.5° | 109.5° |
| C01 | N02 | H10 | 119.7° | 120.0° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C09 | C08 | H6 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C09 | C08 | C13 | 0.3° | 0.1° |
| C10 | C09 | C08 | C07 | 179.9° | 180.0° |
| C09 | C10 | C11 | H7 | 180.0° | 179.9° |
| C11 | C10 | C09 | C08 | 0.2° | 0.1° |
| C10 | C11 | C12 | H7 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C10 | C09 | H6 | 179.8° | 180.0° |
| C10 | C11 | C12 | H8 | 179.8° | 179.9° |
| C09 | C08 | C13 | C07 | 179.6° | 179.9° |
| C09 | C08 | C13 | C12 | 0.1° | 0.0° |
| C09 | C08 | C07 | C14 | 5.5° | 0.1° |
| C09 | C08 | C07 | N06 | 175.0° | 179.9° |
| C08 | C09 | C10 | H1 | 179.8° | 179.8° |
| C09 | C08 | C13 | H2 | 179.9° | 180.0° |
| C11 | C12 | C13 | C08 | 0.1° | 0.0° |
| C11 | C12 | C13 | H8 | 180.0° | 179.9° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C11 | C12 | C13 | H2 | 179.9° | 180.0° |
| O15 | C03 | C04 | C14 | 27.9° | 0.3° |
| O15 | C03 | C04 | N02 | 179.6° | 180.0° |
| O15 | C03 | C04 | N05 | 151.8° | 179.9° |
| O15 | C03 | N02 | C01 | 0.3° | 0.0° |
| O15 | C03 | N02 | H10 | 179.7° | 180.0° |
| C08 | C13 | C12 | H2 | 180.0° | 180.0° |
| C13 | C08 | C07 | C14 | 174.1° | 180.0° |
| C13 | C08 | C07 | N06 | 5.4° | 0.0° |
| C13 | C08 | C09 | H6 | 179.7° | 180.0° |
| C08 | C13 | C12 | H8 | 179.9° | 179.9° |
| C07 | C08 | C13 | C12 | 179.7° | 180.0° |
| C08 | C07 | C14 | N06 | 179.6° | 180.0° |
| C08 | C07 | C14 | C04 | 179.7° | 179.9° |
| C08 | C07 | N06 | N05 | 179.9° | 180.0° |
| C07 | C08 | C13 | H2 | 0.2° | 0.1° |
| C07 | C08 | C09 | H6 | 0.1° | 0.1° |
| C08 | C07 | C14 | H9 | 0.3° | 0.1° |
| C13 | C12 | C11 | H7 | 179.9° | 180.0° |
| C07 | C14 | C04 | H9 | 180.0° | 180.0° |
| C07 | C14 | C04 | C03 | 179.7° | 180.0° |
| C07 | C14 | C04 | N05 | 0.1° | 0.3° |
| C14 | C07 | N06 | N05 | 0.3° | 0.0° |
| C04 | C14 | C07 | N06 | 0.2° | 0.2° |
| C14 | C04 | C03 | N05 | 179.6° | 179.7° |
| C14 | C04 | N05 | N06 | 0.3° | 0.3° |
| C14 | C04 | C03 | N02 | 152.5° | 179.7° |
| C14 | C04 | N05 | H11 | 179.7° | 179.8° |
| C07 | N06 | N05 | C04 | 0.4° | 0.2° |
| N06 | C07 | C14 | H9 | 179.9° | 179.8° |
| C07 | N06 | N05 | H11 | 179.6° | 179.9° |
| C03 | C04 | N05 | N06 | 180.0° | 180.0° |
| C04 | C03 | N02 | C01 | 179.9° | 180.0° |
| C03 | C04 | C14 | H9 | 0.2° | 0.0° |
| C04 | C03 | N02 | H10 | 0.1° | 0.0° |
| C03 | C04 | N05 | H11 | 0.0° | 0.0° |
| C04 | N05 | N06 | H11 | 180.0° | 179.9° |
| N05 | C04 | C03 | N02 | 27.8° | 0.1° |
| N05 | C04 | C14 | H9 | 179.9° | 179.7° |
| C03 | N02 | C01 | H10 | 180.0° | 180.0° |
| C03 | N02 | C01 | H3 | 180.0° | 180.0° |
| C03 | N02 | C01 | H4 | 60.0° | 60.0° |
| C03 | N02 | C01 | H5 | 60.0° | 60.0° |
| N02 | C01 | H3 | H4 | 120.0° | 120.0° |
| N02 | C01 | H3 | H5 | 120.0° | 120.0° |
| N02 | C01 | H4 | H5 | 120.0° | 120.0° |
| H1 | C10 | C09 | H6 | 0.2° | 0.4° |
| H1 | C10 | C11 | H7 | 0.0° | 0.3° |
| H2 | C13 | C12 | H8 | 0.1° | 0.0° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H3 | C01 | N02 | H10 | 0.0° | 0.0° |
| H4 | C01 | N02 | H10 | 120.0° | 120.0° |
| H5 | C01 | N02 | H10 | 120.0° | 120.0° |
| H7 | C11 | C12 | H8 | 0.1° | 0.1° |
