H70
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CH | CR | sing | 1.39Å | 1.45Å | Aromatic |
| CH | C3 | doub | 1.38Å | 1.43Å | Aromatic |
| CH | CL2 | sing | 1.74Å | 1.70Å | |
| CG | CD1 | sing | 1.48Å | 1.46Å | Aromatic |
| CG | CD2 | sing | 1.40Å | 1.42Å | Aromatic |
| CG | CR | doub | 1.40Å | 1.45Å | Aromatic |
| CD1 | C9 | doub | 1.36Å | 1.41Å | Aromatic |
| CD1 | N11 | sing | 1.37Å | 1.39Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CE2 | C3 | sing | 1.39Å | 1.44Å | Aromatic |
| CE2 | CL1 | sing | 1.74Å | 1.70Å | |
| CR | O | sing | 1.36Å | 1.38Å | |
| C7 | C8 | doub | 1.35Å | 1.42Å | Aromatic |
| C7 | N11 | sing | 1.37Å | 1.38Å | Aromatic |
| C7 | BR3 | sing | 1.89Å | 1.85Å | |
| C8 | C9 | sing | 1.41Å | 1.45Å | Aromatic |
| C8 | BR2 | sing | 1.89Å | 1.83Å | |
| C9 | BR1 | sing | 1.89Å | 1.85Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| O | H | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CR | CH | C3 | 119.6° | 120.1° |
| CR | CH | CL2 | 121.7° | 119.9° |
| CH | CR | CG | 119.1° | 119.8° |
| CH | CR | O | 118.1° | 120.1° |
| C3 | CH | CL2 | 118.7° | 120.0° |
| CH | C3 | CE2 | 119.7° | 120.4° |
| CH | C3 | H3 | 120.2° | 119.8° |
| CD1 | CG | CD2 | 117.7° | 120.2° |
| CD1 | CG | CR | 122.3° | 120.2° |
| CG | CD1 | C9 | 129.9° | 126.1° |
| CG | CD1 | N11 | 121.5° | 126.0° |
| CD2 | CG | CR | 120.0° | 119.6° |
| CG | CD2 | CE2 | 120.9° | 120.0° |
| CG | CD2 | HD2 | 119.5° | 120.0° |
| CG | CR | O | 122.9° | 120.1° |
| C9 | CD1 | N11 | 108.5° | 107.9° |
| CD1 | C9 | C8 | 106.3° | 107.4° |
| CD1 | C9 | BR1 | 127.1° | 126.3° |
| CD1 | N11 | C7 | 109.8° | 108.6° |
| CD1 | N11 | H11 | 125.1° | 125.8° |
| CD2 | CE2 | C3 | 120.7° | 120.2° |
| CD2 | CE2 | CL1 | 118.0° | 119.9° |
| CE2 | CD2 | HD2 | 119.5° | 120.0° |
| C3 | CE2 | CL1 | 121.3° | 119.9° |
| CE2 | C3 | H3 | 120.1° | 119.8° |
| CR | O | H | 109.5° | 114.0° |
| C8 | C7 | N11 | 108.2° | 108.5° |
| C8 | C7 | BR3 | 128.8° | 125.8° |
| C7 | C8 | C9 | 107.2° | 107.7° |
| C7 | C8 | BR2 | 125.6° | 126.1° |
| N11 | C7 | BR3 | 123.0° | 125.8° |
| C7 | N11 | H11 | 125.1° | 125.7° |
| C9 | C8 | BR2 | 127.3° | 126.2° |
| C8 | C9 | BR1 | 126.6° | 126.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CR | CH | C3 | CL2 | 180.0° | 179.8° |
| CH | CR | CG | CD1 | 179.6° | 179.9° |
| CH | CR | CG | CD2 | 0.1° | 0.0° |
| CH | CR | CG | O | 179.8° | 180.0° |
| CR | CH | C3 | CE2 | 0.1° | 0.1° |
| CR | CH | C3 | H3 | 180.0° | 180.0° |
| CH | CR | O | H | 17.7° | 90.0° |
| C3 | CH | CR | CG | 0.2° | 0.0° |
| CH | C3 | CE2 | CD2 | 0.1° | 0.0° |
| CH | C3 | CE2 | H3 | 180.0° | 179.9° |
| CH | C3 | CE2 | CL1 | 179.8° | 180.0° |
| C3 | CH | CR | O | 180.0° | 180.0° |
| CL2 | CH | CR | CG | 179.8° | 179.7° |
| CL2 | CH | C3 | CE2 | 179.9° | 179.7° |
| CL2 | CH | CR | O | 0.0° | 0.3° |
| CL2 | CH | C3 | H3 | 0.0° | 0.2° |
| CD1 | CG | CD2 | CR | 179.8° | 179.9° |
| CG | CD1 | C9 | N11 | 179.8° | 179.7° |
| CD1 | CG | CD2 | CE2 | 179.8° | 179.9° |
| CD1 | CG | CR | O | 0.2° | 0.1° |
| CG | CD1 | N11 | C7 | 179.9° | 180.0° |
| CG | CD1 | C9 | C8 | 179.9° | 180.0° |
| CG | CD1 | C9 | BR1 | 0.0° | 0.1° |
| CD1 | CG | CD2 | HD2 | 0.2° | 0.0° |
| CG | CD1 | N11 | H11 | 0.1° | 0.0° |
| CD2 | CG | CD1 | C9 | 169.7° | 115.0° |
| CD2 | CG | CD1 | N11 | 10.1° | 64.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | C3 | 0.1° | 0.0° |
| CG | CD2 | CE2 | CL1 | 179.8° | 180.0° |
| CD2 | CG | CR | O | 179.9° | 180.0° |
| CR | CG | CD1 | C9 | 10.0° | 65.0° |
| CR | CG | CD1 | N11 | 170.1° | 115.4° |
| CR | CG | CD2 | CE2 | 0.0° | 0.0° |
| CR | CG | CD2 | HD2 | 180.0° | 180.0° |
| CG | CR | O | H | 162.0° | 90.0° |
| CD1 | C9 | C8 | C7 | 0.1° | 0.2° |
| C9 | CD1 | N11 | C7 | 0.0° | 0.3° |
| CD1 | C9 | C8 | BR1 | 179.9° | 179.9° |
| CD1 | C9 | C8 | BR2 | 179.9° | 179.8° |
| C9 | CD1 | N11 | H11 | 180.0° | 179.7° |
| CD1 | N11 | C7 | C8 | 0.1° | 0.1° |
| CD1 | N11 | C7 | H11 | 180.0° | 180.0° |
| CD1 | N11 | C7 | BR3 | 179.9° | 179.8° |
| N11 | CD1 | C9 | C8 | 0.1° | 0.3° |
| N11 | CD1 | C9 | BR1 | 179.8° | 179.8° |
| CD2 | CE2 | C3 | CL1 | 179.7° | 180.0° |
| CD2 | CE2 | C3 | H3 | 179.9° | 180.0° |
| C3 | CE2 | CD2 | HD2 | 179.9° | 180.0° |
| CL1 | CE2 | C3 | H3 | 0.2° | 0.0° |
| CL1 | CE2 | CD2 | HD2 | 0.2° | 0.0° |
| C8 | C7 | N11 | BR3 | 179.9° | 179.9° |
| C7 | C8 | C9 | BR2 | 179.9° | 180.0° |
| C7 | C8 | C9 | BR1 | 179.8° | 179.9° |
| C8 | C7 | N11 | H11 | 179.9° | 179.8° |
| N11 | C7 | C8 | C9 | 0.1° | 0.0° |
| N11 | C7 | C8 | BR2 | 179.9° | 180.0° |
| BR3 | C7 | C8 | C9 | 179.8° | 180.0° |
| BR3 | C7 | C8 | BR2 | 0.1° | 0.1° |
| BR3 | C7 | N11 | H11 | 0.2° | 0.2° |
| BR2 | C8 | C9 | BR1 | 0.1° | 0.1° |
