M5Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C30 | sing | 1.51Å | 1.56Å | |
| C29 | N28 | sing | 1.47Å | 1.47Å | |
| C30 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| C30 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | F34 | sing | 1.35Å | 1.37Å | |
| C33 | C35 | sing | 1.39Å | 1.38Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | F37 | sing | 1.35Å | 1.36Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.08Å | 1.08Å | |
| C32 | H27 | sing | 1.08Å | 1.08Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å | |
| N28 | H31 | sing | 1.01Å | 1.00Å | |
| N28 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | N28 | 110.1° | 109.4° |
| C29 | C30 | C31 | 118.7° | 119.9° |
| C29 | C30 | C36 | 120.7° | 120.0° |
| C30 | C29 | H24 | 109.3° | 109.4° |
| C30 | C29 | H25 | 109.3° | 109.5° |
| N28 | C29 | H24 | 109.3° | 109.5° |
| N28 | C29 | H25 | 109.3° | 109.5° |
| C29 | N28 | H31 | 109.5° | 111.0° |
| C29 | N28 | H2 | 109.5° | 111.0° |
| C31 | C30 | C36 | 120.6° | 120.1° |
| C30 | C31 | C32 | 119.6° | 120.0° |
| C30 | C31 | H26 | 120.2° | 120.0° |
| C30 | C36 | C35 | 120.2° | 120.0° |
| C30 | C36 | F37 | 120.6° | 120.0° |
| C31 | C32 | C33 | 119.8° | 120.0° |
| C32 | C31 | H26 | 120.2° | 120.0° |
| C31 | C32 | H27 | 120.1° | 120.0° |
| C32 | C33 | F34 | 120.4° | 120.0° |
| C32 | C33 | C35 | 120.2° | 120.0° |
| C33 | C32 | H27 | 120.1° | 120.0° |
| F34 | C33 | C35 | 119.4° | 120.0° |
| C33 | C35 | C36 | 119.7° | 119.9° |
| C33 | C35 | H28 | 120.1° | 120.0° |
| C35 | C36 | F37 | 119.2° | 120.0° |
| C36 | C35 | H28 | 120.1° | 120.1° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H31 | N28 | H2 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | N28 | H24 | 120.1° | 119.9° |
| C30 | C29 | N28 | H25 | 120.1° | 120.0° |
| C29 | C30 | C31 | C36 | 179.4° | 179.7° |
| C29 | C30 | C31 | C32 | 180.0° | 180.0° |
| C29 | C30 | C36 | C35 | 179.8° | 179.7° |
| C29 | C30 | C36 | F37 | 0.4° | 0.0° |
| C30 | C29 | H24 | H25 | 119.7° | 120.0° |
| C29 | C30 | C31 | H26 | 0.0° | 0.0° |
| C30 | C29 | N28 | H31 | 180.0° | 180.0° |
| C30 | C29 | N28 | H2 | 60.0° | 56.0° |
| N28 | C29 | C30 | C31 | 80.6° | 105.0° |
| N28 | C29 | C30 | C36 | 100.0° | 75.3° |
| N28 | C29 | H24 | H25 | 119.7° | 120.1° |
| C29 | N28 | H31 | H2 | 120.0° | 124.0° |
| C30 | C31 | C32 | H26 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.3° | 0.0° |
| C31 | C30 | C36 | C35 | 0.8° | 0.6° |
| C31 | C30 | C36 | F37 | 179.8° | 179.7° |
| C31 | C30 | C29 | H24 | 159.3° | 135.0° |
| C31 | C30 | C29 | H25 | 39.5° | 15.0° |
| C30 | C31 | C32 | H27 | 179.6° | 180.0° |
| C36 | C30 | C31 | C32 | 0.7° | 0.3° |
| C30 | C36 | C35 | C33 | 0.7° | 0.6° |
| C30 | C36 | C35 | F37 | 179.4° | 179.7° |
| C36 | C30 | C29 | H24 | 20.1° | 44.7° |
| C36 | C30 | C29 | H25 | 139.9° | 164.7° |
| C36 | C30 | C31 | H26 | 179.3° | 179.7° |
| C30 | C36 | C35 | H28 | 179.3° | 179.7° |
| C31 | C32 | C33 | H27 | 180.0° | 180.0° |
| C31 | C32 | C33 | F34 | 179.9° | 180.0° |
| C31 | C32 | C33 | C35 | 0.2° | 0.0° |
| C32 | C33 | F34 | C35 | 179.7° | 180.0° |
| C32 | C33 | C35 | C36 | 0.4° | 0.3° |
| C33 | C32 | C31 | H26 | 179.7° | 180.0° |
| C32 | C33 | C35 | H28 | 179.6° | 180.0° |
| F34 | C33 | C35 | C36 | 179.9° | 179.7° |
| F34 | C33 | C32 | H27 | 0.1° | 0.0° |
| F34 | C33 | C35 | H28 | 0.1° | 0.0° |
| C33 | C35 | C36 | H28 | 180.0° | 179.7° |
| C33 | C35 | C36 | F37 | 179.9° | 179.7° |
| C35 | C33 | C32 | H27 | 179.8° | 180.0° |
| F37 | C36 | C35 | H28 | 0.1° | 0.0° |
| H24 | C29 | N28 | H31 | 59.9° | 60.0° |
| H24 | C29 | N28 | H2 | 179.9° | 175.9° |
| H25 | C29 | N28 | H31 | 59.9° | 60.0° |
| H25 | C29 | N28 | H2 | 60.1° | 64.0° |
| H26 | C31 | C32 | H27 | 0.4° | 0.0° |
