MCM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.39Å | 1.52Å | |
| N | HN1 | sing | 0.97Å | 1.02Å | |
| N | HN2 | sing | 0.97Å | 1.02Å | |
| CA | C2 | doub | 1.39Å | 1.44Å | Aromatic |
| CA | C9 | sing | 1.39Å | 1.45Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C7 | doub | 1.41Å | 1.53Å | Aromatic |
| C3 | O1 | sing | 1.35Å | 1.47Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.49Å | Aromatic |
| C4 | O1 | sing | 1.34Å | 1.43Å | Aromatic |
| C4 | O2 | doub | 1.22Å | 1.25Å | |
| C5 | C6 | doub | 1.36Å | 1.58Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.46Å | 1.56Å | Aromatic |
| C6 | C10 | sing | 1.51Å | 1.59Å | |
| C7 | C8 | sing | 1.40Å | 1.46Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C10 | H103 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN1 | 109.5° | 120.0° |
| CA | N | HN2 | 117.0° | 120.0° |
| N | CA | C2 | 117.0° | 119.8° |
| N | CA | C9 | 115.2° | 119.8° |
| HN1 | N | HN2 | 109.4° | 120.1° |
| C2 | CA | C9 | 127.8° | 120.4° |
| CA | C2 | C3 | 114.5° | 119.8° |
| CA | C2 | H2 | 124.3° | 120.1° |
| CA | C9 | C8 | 118.5° | 120.4° |
| CA | C9 | H9 | 123.3° | 119.8° |
| C3 | C2 | H2 | 121.2° | 120.1° |
| C2 | C3 | C7 | 118.6° | 119.4° |
| C2 | C3 | O1 | 122.1° | 120.7° |
| C7 | C3 | O1 | 119.1° | 119.9° |
| C3 | C7 | C6 | 114.4° | 119.0° |
| C3 | C7 | C8 | 123.1° | 120.1° |
| C3 | O1 | C4 | 126.3° | 121.5° |
| C5 | C4 | O1 | 121.3° | 121.7° |
| C5 | C4 | O2 | 119.1° | 119.1° |
| C4 | C5 | C6 | 114.5° | 119.8° |
| C4 | C5 | H5 | 119.9° | 120.1° |
| O1 | C4 | O2 | 119.1° | 119.2° |
| C6 | C5 | H5 | 125.5° | 120.1° |
| C5 | C6 | C7 | 124.0° | 118.2° |
| C5 | C6 | C10 | 118.0° | 120.9° |
| C7 | C6 | C10 | 117.4° | 120.9° |
| C6 | C7 | C8 | 122.5° | 121.0° |
| C6 | C10 | H101 | 109.1° | 109.5° |
| C6 | C10 | H102 | 118.0° | 109.5° |
| C6 | C10 | H103 | 109.1° | 109.5° |
| C7 | C8 | C9 | 117.0° | 119.8° |
| C7 | C8 | H8 | 124.2° | 120.1° |
| C9 | C8 | H8 | 118.8° | 120.1° |
| C8 | C9 | H9 | 118.2° | 119.8° |
| H101 | C10 | H102 | 109.1° | 109.5° |
| H101 | C10 | H103 | 101.0° | 109.5° |
| H102 | C10 | H103 | 109.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | HN2 | 129.5° | 180.0° |
| N | CA | C2 | C9 | 179.9° | 180.0° |
| N | CA | C2 | C3 | 171.8° | 180.0° |
| N | CA | C2 | H2 | 8.2° | 0.0° |
| N | CA | C9 | C8 | 171.4° | 180.0° |
| N | CA | C9 | H9 | 8.6° | 0.0° |
| HN1 | N | CA | C2 | 54.8° | 180.0° |
| HN1 | N | CA | C9 | 125.1° | 0.0° |
| HN2 | N | CA | C2 | 180.0° | 0.0° |
| HN2 | N | CA | C9 | 0.1° | 180.0° |
| CA | C2 | C3 | H2 | 180.0° | 180.0° |
| CA | C2 | C3 | C7 | 2.7° | 0.2° |
| CA | C2 | C3 | O1 | 178.8° | 180.0° |
| C2 | CA | C9 | C8 | 8.7° | 0.0° |
| C2 | CA | C9 | H9 | 171.3° | 180.0° |
| C9 | CA | C2 | C3 | 8.3° | 0.0° |
| C9 | CA | C2 | H2 | 171.7° | 180.0° |
| CA | C9 | C8 | C7 | 3.0° | 0.2° |
| CA | C9 | C8 | H9 | 180.0° | 180.0° |
| CA | C9 | C8 | H8 | 177.0° | 179.9° |
| C2 | C3 | C7 | O1 | 176.2° | 179.8° |
| C2 | C3 | O1 | C4 | 179.5° | 180.0° |
| C2 | C3 | C7 | C6 | 177.5° | 179.8° |
| C2 | C3 | C7 | C8 | 1.9° | 0.5° |
| H2 | C2 | C3 | C7 | 177.3° | 179.8° |
| H2 | C2 | C3 | O1 | 1.2° | 0.0° |
| C7 | C3 | O1 | C4 | 3.5° | 0.2° |
| C3 | C7 | C6 | C5 | 4.6° | 0.4° |
| C3 | C7 | C6 | C8 | 179.4° | 179.3° |
| C3 | C7 | C6 | C10 | 165.9° | 179.8° |
| C3 | C7 | C8 | C9 | 1.7° | 0.5° |
| C3 | C7 | C8 | H8 | 178.3° | 179.7° |
| C3 | O1 | C4 | C5 | 2.0° | 0.0° |
| C3 | O1 | C4 | O2 | 170.2° | 180.0° |
| O1 | C3 | C7 | C6 | 6.3° | 0.5° |
| O1 | C3 | C7 | C8 | 174.3° | 179.8° |
| C5 | C4 | O1 | O2 | 172.2° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.2° |
| C4 | C5 | C6 | C10 | 170.7° | 180.0° |
| O1 | C4 | C5 | C6 | 3.7° | 0.0° |
| O1 | C4 | C5 | H5 | 176.4° | 180.0° |
| O2 | C4 | C5 | C6 | 168.5° | 180.0° |
| O2 | C4 | C5 | H5 | 11.4° | 0.0° |
| C5 | C6 | C7 | C10 | 170.5° | 179.8° |
| C5 | C6 | C7 | C8 | 176.0° | 179.7° |
| C5 | C6 | C10 | H101 | 54.7° | 0.0° |
| C5 | C6 | C10 | H102 | 180.0° | 120.0° |
| C5 | C6 | C10 | H103 | 54.7° | 120.0° |
| H5 | C5 | C6 | C7 | 179.8° | 179.8° |
| H5 | C5 | C6 | C10 | 9.3° | 0.0° |
| C6 | C7 | C8 | C9 | 177.6° | 179.8° |
| C6 | C7 | C8 | H8 | 2.4° | 0.4° |
| C7 | C6 | C10 | H101 | 116.4° | 179.8° |
| C7 | C6 | C10 | H102 | 8.9° | 60.2° |
| C7 | C6 | C10 | H103 | 134.2° | 59.8° |
| C10 | C6 | C7 | C8 | 13.5° | 0.5° |
| C6 | C10 | H101 | H102 | 130.2° | 120.0° |
| C6 | C10 | H101 | H103 | 114.9° | 120.0° |
| C6 | C10 | H102 | H103 | 125.3° | 120.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C7 | C8 | C9 | H9 | 177.0° | 179.8° |
| H8 | C8 | C9 | H9 | 3.0° | 0.1° |
| H101 | C10 | H102 | H103 | 109.5° | 120.0° |
