H7S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CH2 | CZ2 | doub | 1.38Å | 1.39Å | Aromatic |
| CH2 | CZ3 | sing | 1.39Å | 1.40Å | Aromatic |
| CZ2 | CE2 | sing | 1.39Å | 1.39Å | Aromatic |
| F8 | CZ3 | sing | 1.35Å | 1.34Å | |
| CZ3 | CE3 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | NE1 | sing | 1.38Å | 1.35Å | Aromatic |
| CE2 | CD2 | doub | 1.41Å | 1.48Å | Aromatic |
| CE3 | CD2 | sing | 1.40Å | 1.37Å | Aromatic |
| NE1 | CD1 | sing | 1.37Å | 1.37Å | Aromatic |
| CD2 | CG | sing | 1.46Å | 1.46Å | Aromatic |
| CD1 | CG | doub | 1.34Å | 1.38Å | Aromatic |
| CG | C1 | sing | 1.51Å | 1.49Å | |
| O7 | C2 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C5 | sing | 1.54Å | 1.53Å | |
| C2 | N3 | sing | 1.34Å | 1.33Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| N3 | C4 | sing | 1.34Å | 1.31Å | |
| C4 | O6 | doub | 1.21Å | 1.21Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| CD1 | H4 | sing | 1.08Å | 1.08Å | |
| NE1 | H5 | sing | 0.97Å | 1.00Å | |
| CE3 | H6 | sing | 1.08Å | 1.08Å | |
| CH2 | H7 | sing | 1.08Å | 1.08Å | |
| CZ2 | H8 | sing | 1.08Å | 1.08Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CZ2 | CH2 | CZ3 | 120.5° | 120.7° |
| CH2 | CZ2 | CE2 | 119.8° | 119.9° |
| CZ2 | CH2 | H7 | 119.7° | 119.6° |
| CH2 | CZ2 | H8 | 120.1° | 120.0° |
| CH2 | CZ3 | F8 | 119.7° | 119.9° |
| CH2 | CZ3 | CE3 | 122.9° | 120.3° |
| CZ3 | CH2 | H7 | 119.7° | 119.7° |
| CZ2 | CE2 | NE1 | 134.9° | 133.4° |
| CZ2 | CE2 | CD2 | 117.2° | 119.5° |
| CE2 | CZ2 | H8 | 120.1° | 120.0° |
| F8 | CZ3 | CE3 | 117.4° | 119.8° |
| CZ3 | CE3 | CD2 | 116.9° | 119.6° |
| CZ3 | CE3 | H6 | 121.6° | 120.2° |
| NE1 | CE2 | CD2 | 107.9° | 107.1° |
| CE2 | NE1 | CD1 | 111.5° | 109.9° |
| CE2 | NE1 | H5 | 124.3° | 125.1° |
| CE2 | CD2 | CE3 | 122.7° | 120.0° |
| CE2 | CD2 | CG | 103.4° | 106.1° |
| CE3 | CD2 | CG | 134.0° | 134.0° |
| CD2 | CE3 | H6 | 121.6° | 120.2° |
| NE1 | CD1 | CG | 108.4° | 109.9° |
| NE1 | CD1 | H4 | 125.8° | 125.0° |
| CD1 | NE1 | H5 | 124.3° | 125.0° |
| CD2 | CG | CD1 | 108.9° | 107.0° |
| CD2 | CG | C1 | 124.0° | 126.5° |
| CD1 | CG | C1 | 127.0° | 126.5° |
| CG | CD1 | H4 | 125.8° | 125.1° |
| CG | C1 | C2 | 113.7° | 110.6° |
| CG | C1 | C5 | 115.5° | 110.6° |
| CG | C1 | H1 | 108.7° | 110.6° |
| O7 | C2 | C1 | 124.4° | 125.4° |
| O7 | C2 | N3 | 125.0° | 125.4° |
| C2 | C1 | C5 | 102.0° | 103.6° |
| C1 | C2 | N3 | 110.6° | 109.2° |
| C2 | C1 | H1 | 108.3° | 110.6° |
| C1 | C5 | C4 | 102.9° | 103.6° |
| C5 | C1 | H1 | 108.2° | 110.6° |
| C1 | C5 | H2 | 111.1° | 110.6° |
| C1 | C5 | H3 | 111.1° | 110.6° |
| C2 | N3 | C4 | 112.6° | 114.5° |
| C2 | N3 | H9 | 123.7° | 122.8° |
| C5 | C4 | N3 | 110.7° | 109.2° |
| C5 | C4 | O6 | 124.6° | 125.4° |
| C4 | C5 | H2 | 111.1° | 110.6° |
| C4 | C5 | H3 | 111.1° | 110.6° |
| N3 | C4 | O6 | 124.6° | 125.4° |
| C4 | N3 | H9 | 123.7° | 122.7° |
| H2 | C5 | H3 | 109.4° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CZ2 | CH2 | CZ3 | H7 | 180.0° | 179.6° |
| CH2 | CZ2 | CE2 | H8 | 180.0° | 179.7° |
| CZ2 | CH2 | CZ3 | F8 | 179.7° | 179.9° |
| CZ2 | CH2 | CZ3 | CE3 | 0.5° | 0.2° |
| CH2 | CZ2 | CE2 | NE1 | 179.8° | 180.0° |
| CH2 | CZ2 | CE2 | CD2 | 0.3° | 0.4° |
| CZ3 | CH2 | CZ2 | CE2 | 0.2° | 0.4° |
| CH2 | CZ3 | F8 | CE3 | 179.8° | 180.0° |
| CH2 | CZ3 | CE3 | CD2 | 0.1° | 0.0° |
| CH2 | CZ3 | CE3 | H6 | 179.8° | 180.0° |
| CZ3 | CH2 | CZ2 | H8 | 179.7° | 180.0° |
| CZ2 | CE2 | NE1 | CD2 | 179.9° | 179.7° |
| CZ2 | CE2 | CD2 | CE3 | 0.6° | 0.2° |
| CZ2 | CE2 | NE1 | CD1 | 179.5° | 180.0° |
| CZ2 | CE2 | CD2 | CG | 179.3° | 179.9° |
| CZ2 | CE2 | NE1 | H5 | 0.5° | 0.2° |
| CE2 | CZ2 | CH2 | H7 | 179.8° | 180.0° |
| F8 | CZ3 | CE3 | CD2 | 179.9° | 180.0° |
| F8 | CZ3 | CE3 | H6 | 0.0° | 0.1° |
| F8 | CZ3 | CH2 | H7 | 0.3° | 0.2° |
| CZ3 | CE3 | CD2 | CE2 | 0.4° | 0.0° |
| CZ3 | CE3 | CD2 | H6 | 180.0° | 179.9° |
| CZ3 | CE3 | CD2 | CG | 179.4° | 179.6° |
| CE3 | CZ3 | CH2 | H7 | 179.5° | 179.8° |
| NE1 | CE2 | CD2 | CE3 | 179.5° | 180.0° |
| CE2 | NE1 | CD1 | H5 | 180.0° | 179.9° |
| NE1 | CE2 | CD2 | CG | 0.6° | 0.4° |
| CE2 | NE1 | CD1 | CG | 0.1° | 0.0° |
| CE2 | NE1 | CD1 | H4 | 179.8° | 179.9° |
| NE1 | CE2 | CZ2 | H8 | 0.1° | 0.3° |
| CE2 | CD2 | CE3 | CG | 179.8° | 179.6° |
| CD2 | CE2 | NE1 | CD1 | 0.3° | 0.3° |
| CE2 | CD2 | CG | CD1 | 0.7° | 0.3° |
| CE2 | CD2 | CG | C1 | 178.1° | 179.9° |
| CD2 | CE2 | NE1 | H5 | 179.6° | 179.9° |
| CE2 | CD2 | CE3 | H6 | 179.6° | 180.0° |
| CD2 | CE2 | CZ2 | H8 | 179.8° | 180.0° |
| CE3 | CD2 | CG | CD1 | 179.4° | 180.0° |
| CE3 | CD2 | CG | C1 | 2.0° | 0.3° |
| NE1 | CD1 | CG | CD2 | 0.6° | 0.2° |
| NE1 | CD1 | CG | H4 | 180.0° | 180.0° |
| NE1 | CD1 | CG | C1 | 177.9° | 180.0° |
| CD2 | CG | CD1 | C1 | 177.3° | 179.8° |
| CD2 | CG | C1 | C2 | 139.0° | 121.2° |
| CD2 | CG | C1 | C5 | 103.5° | 124.6° |
| CD2 | CG | C1 | H1 | 18.3° | 1.7° |
| CD2 | CG | CD1 | H4 | 179.4° | 179.8° |
| CG | CD2 | CE3 | H6 | 0.5° | 0.5° |
| CD1 | CG | C1 | C2 | 37.9° | 58.6° |
| CD1 | CG | C1 | C5 | 79.6° | 55.6° |
| CD1 | CG | C1 | H1 | 158.6° | 178.5° |
| CG | CD1 | NE1 | H5 | 179.9° | 179.9° |
| CG | C1 | C2 | O7 | 42.3° | 61.5° |
| CG | C1 | C2 | C5 | 125.1° | 118.6° |
| CG | C1 | C2 | H1 | 120.9° | 122.9° |
| CG | C1 | C5 | H1 | 122.0° | 123.0° |
| CG | C1 | C2 | N3 | 135.6° | 118.6° |
| CG | C1 | C5 | C4 | 133.3° | 118.5° |
| CG | C1 | C5 | H2 | 14.3° | 0.0° |
| CG | C1 | C5 | H3 | 107.7° | 122.9° |
| C1 | CG | CD1 | H4 | 2.1° | 0.1° |
| O7 | C2 | C1 | N3 | 177.9° | 179.9° |
| O7 | C2 | C1 | C5 | 167.4° | 179.9° |
| O7 | C2 | N3 | C4 | 170.8° | 179.9° |
| O7 | C2 | C1 | H1 | 78.6° | 61.4° |
| O7 | C2 | N3 | H9 | 9.3° | 0.1° |
| C2 | C1 | C5 | H1 | 114.1° | 118.5° |
| C2 | C1 | C5 | C4 | 9.5° | 0.0° |
| C1 | C2 | N3 | C4 | 7.1° | 0.0° |
| C2 | C1 | C5 | H2 | 109.5° | 118.5° |
| C2 | C1 | C5 | H3 | 128.4° | 118.6° |
| C1 | C2 | N3 | H9 | 172.9° | 180.0° |
| C5 | C1 | C2 | N3 | 10.5° | 0.0° |
| C1 | C5 | C4 | H2 | 119.0° | 118.5° |
| C1 | C5 | C4 | H3 | 119.0° | 118.5° |
| C1 | C5 | C4 | N3 | 6.4° | 0.0° |
| C1 | C5 | C4 | O6 | 173.3° | 180.0° |
| C1 | C5 | H2 | H3 | 123.0° | 122.9° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| C2 | N3 | C4 | H9 | 180.0° | 180.0° |
| C2 | N3 | C4 | O6 | 180.0° | 180.0° |
| N3 | C2 | C1 | H1 | 103.5° | 118.5° |
| C5 | C4 | N3 | O6 | 179.8° | 180.0° |
| C4 | C5 | C1 | H1 | 104.7° | 118.5° |
| C4 | C5 | H2 | H3 | 123.0° | 123.0° |
| C5 | C4 | N3 | H9 | 179.8° | 180.0° |
| N3 | C4 | C5 | H2 | 112.6° | 118.5° |
| N3 | C4 | C5 | H3 | 125.4° | 118.5° |
| O6 | C4 | C5 | H2 | 67.7° | 61.5° |
| O6 | C4 | C5 | H3 | 54.4° | 61.5° |
| O6 | C4 | N3 | H9 | 0.0° | 0.0° |
| H1 | C1 | C5 | H2 | 136.4° | 123.0° |
| H1 | C1 | C5 | H3 | 14.3° | 0.0° |
| H4 | CD1 | NE1 | H5 | 0.2° | 0.1° |
| H7 | CH2 | CZ2 | H8 | 0.3° | 0.3° |
