5M1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C12 | sing | 1.46Å | 1.44Å | |
| C10 | O11 | doub | 1.22Å | 1.22Å | |
| C12 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | N25 | sing | 1.38Å | 1.36Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.38Å | Aromatic |
| C24 | C26 | sing | 1.51Å | 1.47Å | |
| C24 | N25 | sing | 1.35Å | 1.36Å | Aromatic |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| N25 | H21 | sing | 0.97Å | 1.00Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | O1 | sing | 1.35Å | 53.53Å | |
| O1 | H1 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C10 | O11 | 116.5° | 120.0° |
| C10 | C12 | C22 | 133.1° | 126.3° |
| C10 | C12 | N25 | 120.2° | 126.3° |
| C12 | C10 | O1 | 34.3° | 120.0° |
| O11 | C10 | O1 | 83.7° | 120.0° |
| C22 | C12 | N25 | 106.7° | 107.4° |
| C12 | C22 | C23 | 107.9° | 107.0° |
| C12 | C22 | H19 | 126.0° | 126.5° |
| C12 | N25 | C24 | 110.8° | 108.8° |
| C12 | N25 | H21 | 124.6° | 125.6° |
| C22 | C23 | C24 | 107.0° | 107.8° |
| C23 | C22 | H19 | 126.1° | 126.6° |
| C22 | C23 | H20 | 126.5° | 126.1° |
| C23 | C24 | C26 | 131.8° | 125.5° |
| C23 | C24 | N25 | 107.4° | 109.0° |
| C24 | C23 | H20 | 126.5° | 126.1° |
| C26 | C24 | N25 | 120.7° | 125.5° |
| C24 | C26 | H22 | 109.5° | 109.4° |
| C24 | C26 | H23 | 109.5° | 109.5° |
| C24 | C26 | H24 | 109.5° | 109.5° |
| C24 | N25 | H21 | 124.6° | 125.6° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H22 | C26 | H24 | 109.4° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| C10 | O1 | H1 | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C10 | O11 | O1 | 10.5° | 179.7° |
| C10 | C12 | C22 | N25 | 177.9° | 179.7° |
| C10 | C12 | C22 | C23 | 178.6° | 180.0° |
| C10 | C12 | N25 | C24 | 178.3° | 179.8° |
| C10 | C12 | C22 | H19 | 1.4° | 0.1° |
| C10 | C12 | N25 | H21 | 1.7° | 0.0° |
| C12 | C10 | O1 | H1 | 90.0° | 180.0° |
| O11 | C10 | C12 | C22 | 165.6° | 0.0° |
| O11 | C10 | C12 | N25 | 12.1° | 179.7° |
| O11 | C10 | O1 | H1 | 90.0° | 0.3° |
| C12 | C22 | C23 | H19 | 180.0° | 179.9° |
| C12 | C22 | C23 | C24 | 1.1° | 0.0° |
| C22 | C12 | N25 | C24 | 0.0° | 0.4° |
| C12 | C22 | C23 | H20 | 178.9° | 180.0° |
| C22 | C12 | N25 | H21 | 180.0° | 179.8° |
| C22 | C12 | C10 | O1 | 146.8° | 179.7° |
| N25 | C12 | C22 | C23 | 0.7° | 0.2° |
| C12 | N25 | C24 | C23 | 0.6° | 0.5° |
| C12 | N25 | C24 | C26 | 179.7° | 179.8° |
| C12 | N25 | C24 | H21 | 180.0° | 179.8° |
| N25 | C12 | C22 | H19 | 179.3° | 179.7° |
| N25 | C12 | C10 | O1 | 30.9° | 0.6° |
| C22 | C23 | C24 | H20 | 180.0° | 179.9° |
| C22 | C23 | C24 | C26 | 179.9° | 180.0° |
| C22 | C23 | C24 | N25 | 1.1° | 0.3° |
| C23 | C24 | C26 | N25 | 178.7° | 179.7° |
| C24 | C23 | C22 | H19 | 178.9° | 179.9° |
| C23 | C24 | N25 | H21 | 179.3° | 179.7° |
| C23 | C24 | C26 | H22 | 90.8° | 90.0° |
| C23 | C24 | C26 | H23 | 149.2° | 150.0° |
| C23 | C24 | C26 | H24 | 29.2° | 30.0° |
| C26 | C24 | C23 | H20 | 0.1° | 0.0° |
| C26 | C24 | N25 | H21 | 0.3° | 0.0° |
| C24 | C26 | H22 | H23 | 120.0° | 120.0° |
| C24 | C26 | H22 | H24 | 120.0° | 120.0° |
| C24 | C26 | H23 | H24 | 120.0° | 120.0° |
| N25 | C24 | C23 | H20 | 179.0° | 179.8° |
| N25 | C24 | C26 | H22 | 90.5° | 89.7° |
| N25 | C24 | C26 | H23 | 29.5° | 30.3° |
| N25 | C24 | C26 | H24 | 149.5° | 150.3° |
| H19 | C22 | C23 | H20 | 1.1° | 0.1° |
| H22 | C26 | H23 | H24 | 120.0° | 120.0° |
