M72
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OA | CA | sing | 1.43Å | 1.44Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| CB | O1 | sing | 1.43Å | 1.47Å | |
| CB | CG | sing | 1.51Å | 1.49Å | |
| CD1 | CG | doub | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.41Å | Aromatic |
| CE1 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
| C | O3 | doub | 1.21Å | 1.26Å | |
| C | O | sing | 1.34Å | 1.26Å | |
| CD2 | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| O | H1 | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| OA | H3 | sing | 0.97Å | 0.95Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CD2 | H5 | sing | 1.08Å | 1.08Å | |
| CE2 | H6 | sing | 1.08Å | 1.08Å | |
| CZ | H7 | sing | 1.08Å | 1.08Å | |
| CE1 | H8 | sing | 1.08Å | 1.08Å | |
| CD1 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA | CA | CB | 111.9° | 109.5° |
| OA | CA | C | 110.0° | 109.5° |
| OA | CA | H2 | 107.6° | 109.5° |
| CA | OA | H3 | 109.5° | 114.0° |
| CB | CA | C | 114.3° | 109.4° |
| CA | CB | O1 | 120.6° | 109.5° |
| CA | CB | CG | 103.2° | 109.4° |
| CB | CA | H2 | 106.1° | 109.5° |
| CA | CB | H4 | 106.5° | 109.5° |
| CA | C | O3 | 118.4° | 120.0° |
| CA | C | O | 119.2° | 120.0° |
| C | CA | H2 | 106.6° | 109.5° |
| C1 | O1 | CB | 117.9° | 114.0° |
| O1 | C1 | H10 | 109.5° | 109.4° |
| O1 | C1 | H11 | 109.5° | 109.5° |
| O1 | C1 | H12 | 109.5° | 109.5° |
| O1 | CB | CG | 110.6° | 109.4° |
| O1 | CB | H4 | 107.8° | 109.5° |
| CB | CG | CD1 | 119.4° | 120.0° |
| CB | CG | CD2 | 121.9° | 120.0° |
| CG | CB | H4 | 107.4° | 109.5° |
| CG | CD1 | CE1 | 119.4° | 120.0° |
| CD1 | CG | CD2 | 118.6° | 120.0° |
| CG | CD1 | H9 | 120.3° | 120.0° |
| CD1 | CE1 | CZ | 121.5° | 120.0° |
| CD1 | CE1 | H8 | 119.2° | 120.0° |
| CE1 | CD1 | H9 | 120.3° | 120.0° |
| CG | CD2 | CE2 | 121.1° | 120.0° |
| CG | CD2 | H5 | 119.4° | 120.0° |
| CE1 | CZ | CE2 | 118.6° | 120.0° |
| CE1 | CZ | H7 | 120.7° | 120.0° |
| CZ | CE1 | H8 | 119.2° | 120.0° |
| O3 | C | O | 122.3° | 120.0° |
| C | O | H1 | 109.5° | 117.0° |
| CD2 | CE2 | CZ | 120.7° | 120.0° |
| CE2 | CD2 | H5 | 119.4° | 120.0° |
| CD2 | CE2 | H6 | 119.7° | 120.0° |
| CZ | CE2 | H6 | 119.6° | 120.0° |
| CE2 | CZ | H7 | 120.7° | 120.0° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H12 | 109.4° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA | CA | CB | C | 125.8° | 120.0° |
| OA | CA | CB | H2 | 117.0° | 120.0° |
| OA | CA | C | H2 | 116.4° | 120.0° |
| OA | CA | CB | O1 | 76.3° | 180.0° |
| OA | CA | CB | CG | 159.7° | 60.0° |
| OA | CA | C | O3 | 97.4° | 5.0° |
| OA | CA | C | O | 82.8° | 175.3° |
| OA | CA | CB | H4 | 46.7° | 60.0° |
| CB | CA | C | H2 | 116.8° | 120.0° |
| CA | CB | O1 | C1 | 51.2° | 150.0° |
| CA | CB | O1 | CG | 120.4° | 119.9° |
| CA | CB | O1 | H4 | 122.5° | 120.1° |
| CA | CB | CG | H4 | 112.4° | 120.0° |
| CA | CB | CG | CD1 | 109.9° | 84.7° |
| CA | CB | CG | CD2 | 68.9° | 95.1° |
| CB | CA | C | O3 | 135.7° | 115.0° |
| CB | CA | C | O | 44.0° | 64.8° |
| CB | CA | OA | H3 | 180.0° | 60.0° |
| C | CA | CB | O1 | 49.5° | 60.1° |
| C | CA | CB | CG | 74.4° | 180.0° |
| CA | C | O3 | O | 179.8° | 179.8° |
| CA | C | O | H1 | 179.8° | 179.7° |
| C | CA | OA | H3 | 51.8° | 60.0° |
| C | CA | CB | H4 | 172.5° | 60.0° |
| C1 | O1 | CB | CG | 171.6° | 90.1° |
| C1 | O1 | CB | H4 | 71.3° | 29.9° |
| O1 | C1 | H10 | H11 | 120.0° | 120.0° |
| O1 | C1 | H10 | H12 | 120.0° | 120.0° |
| O1 | C1 | H11 | H12 | 120.0° | 120.1° |
| O1 | CB | CG | H4 | 117.4° | 120.0° |
| O1 | CB | CG | CD1 | 119.8° | 35.2° |
| O1 | CB | CG | CD2 | 61.4° | 145.0° |
| O1 | CB | CA | H2 | 166.6° | 60.0° |
| CB | O1 | C1 | H10 | 180.0° | 60.0° |
| CB | O1 | C1 | H11 | 60.0° | 180.0° |
| CB | O1 | C1 | H12 | 60.0° | 59.9° |
| CB | CG | CD1 | CD2 | 178.8° | 179.8° |
| CB | CG | CD1 | CE1 | 179.6° | 179.8° |
| CB | CG | CD2 | CE2 | 179.8° | 180.0° |
| CG | CB | CA | H2 | 42.7° | 60.0° |
| CB | CG | CD2 | H5 | 0.2° | 0.0° |
| CB | CG | CD1 | H9 | 0.5° | 0.0° |
| CG | CD1 | CE1 | H9 | 180.0° | 179.8° |
| CG | CD1 | CE1 | CZ | 1.2° | 0.5° |
| CD1 | CG | CD2 | CE2 | 1.0° | 0.2° |
| CD1 | CG | CB | H4 | 2.5° | 155.2° |
| CD1 | CG | CD2 | H5 | 179.0° | 179.7° |
| CG | CD1 | CE1 | H8 | 178.8° | 179.7° |
| CE1 | CD1 | CG | CD2 | 1.6° | 0.5° |
| CD1 | CE1 | CZ | H8 | 180.0° | 179.8° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.3° |
| CD1 | CE1 | CZ | H7 | 179.8° | 179.8° |
| CG | CD2 | CE2 | H5 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.0° |
| CD2 | CG | CB | H4 | 178.7° | 25.0° |
| CG | CD2 | CE2 | H6 | 179.9° | 180.0° |
| CD2 | CG | CD1 | H9 | 178.4° | 179.8° |
| CE1 | CZ | CE2 | CD2 | 0.5° | 0.0° |
| CE1 | CZ | CE2 | H7 | 180.0° | 180.0° |
| CE1 | CZ | CE2 | H6 | 179.5° | 180.0° |
| CZ | CE1 | CD1 | H9 | 178.8° | 179.7° |
| O3 | C | O | H1 | 0.0° | 0.1° |
| O3 | C | CA | H2 | 18.9° | 125.0° |
| O | C | CA | H2 | 160.9° | 55.3° |
| CD2 | CE2 | CZ | H6 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | H7 | 179.5° | 180.0° |
| CZ | CE2 | CD2 | H5 | 179.9° | 180.0° |
| CE2 | CZ | CE1 | H8 | 179.9° | 180.0° |
| H2 | CA | OA | H3 | 63.9° | 180.0° |
| H2 | CA | CB | H4 | 70.3° | 180.0° |
| H5 | CD2 | CE2 | H6 | 0.1° | 0.1° |
| H6 | CE2 | CZ | H7 | 0.5° | 0.0° |
| H7 | CZ | CE1 | H8 | 0.2° | 0.0° |
| H8 | CE1 | CD1 | H9 | 1.2° | 0.0° |
| H10 | C1 | H11 | H12 | 120.0° | 120.0° |
