P6H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | S02 | sing | 1.81Å | 1.82Å | |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| S02 | C04 | sing | 1.76Å | 1.82Å | |
| S02 | O03 | doub | 1.42Å | 1.47Å | |
| S02 | O11 | doub | 1.42Å | 1.46Å | |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C06 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | S02 | C04 | 108.7° | 104.4° |
| C01 | S02 | O03 | 110.8° | 110.5° |
| C01 | S02 | O11 | 111.2° | 110.5° |
| S02 | C01 | H1 | 109.5° | 109.5° |
| S02 | C01 | H2 | 109.5° | 109.5° |
| S02 | C01 | H3 | 109.5° | 109.5° |
| C09 | C10 | C04 | 120.5° | 120.1° |
| C10 | C09 | C08 | 120.0° | 120.0° |
| C10 | C09 | H9 | 120.0° | 120.1° |
| C09 | C10 | H10 | 119.8° | 120.0° |
| C10 | C04 | S02 | 119.3° | 120.0° |
| C10 | C04 | C05 | 119.4° | 120.0° |
| C04 | C10 | H10 | 119.7° | 120.0° |
| C09 | C08 | C07 | 119.4° | 120.0° |
| C09 | C08 | H8 | 120.3° | 120.0° |
| C08 | C09 | H9 | 120.0° | 119.9° |
| C04 | S02 | O03 | 114.4° | 104.2° |
| C04 | S02 | O11 | 110.5° | 104.2° |
| S02 | C04 | C05 | 121.3° | 120.0° |
| O03 | S02 | O11 | 101.0° | 121.1° |
| C04 | C05 | C07 | 119.9° | 120.0° |
| C04 | C05 | C06 | 121.6° | 120.0° |
| C08 | C07 | C05 | 120.8° | 120.1° |
| C08 | C07 | H7 | 119.6° | 120.0° |
| C07 | C08 | H8 | 120.3° | 120.1° |
| C07 | C05 | C06 | 118.5° | 120.0° |
| C05 | C07 | H7 | 119.6° | 120.0° |
| C05 | C06 | H4 | 107.7° | 109.5° |
| C05 | C06 | H5 | 107.7° | 109.4° |
| C05 | C06 | O1 | 116.2° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C06 | H5 | 109.5° | 109.5° |
| H4 | C06 | O1 | 107.8° | 109.5° |
| H5 | C06 | O1 | 107.8° | 109.5° |
| C06 | O1 | H6 | 109.5° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | S02 | C04 | C10 | 22.7° | 113.2° |
| C01 | S02 | C04 | O03 | 124.5° | 116.1° |
| C01 | S02 | C04 | O11 | 122.4° | 116.1° |
| C01 | S02 | O03 | O11 | 117.9° | 131.6° |
| C01 | S02 | C04 | C05 | 157.5° | 67.0° |
| S02 | C01 | H1 | H2 | 120.0° | 120.0° |
| S02 | C01 | H1 | H3 | 120.0° | 120.0° |
| S02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C09 | C10 | C04 | H10 | 180.0° | 179.9° |
| C10 | C09 | C08 | H9 | 180.0° | 180.0° |
| C09 | C10 | C04 | S02 | 179.7° | 179.8° |
| C09 | C10 | C04 | C05 | 0.1° | 0.1° |
| C10 | C09 | C08 | C07 | 0.1° | 0.1° |
| C10 | C09 | C08 | H8 | 179.9° | 180.0° |
| C04 | C10 | C09 | C08 | 0.1° | 0.1° |
| C10 | C04 | S02 | C05 | 179.8° | 179.8° |
| C10 | C04 | S02 | O03 | 147.2° | 130.7° |
| C10 | C04 | S02 | O11 | 99.6° | 2.9° |
| C10 | C04 | C05 | C07 | 0.2° | 0.0° |
| C10 | C04 | C05 | C06 | 179.6° | 180.0° |
| C04 | C10 | C09 | H9 | 179.9° | 179.9° |
| C09 | C08 | C07 | H8 | 180.0° | 180.0° |
| C09 | C08 | C07 | C05 | 0.0° | 0.0° |
| C09 | C08 | C07 | H7 | 180.0° | 180.0° |
| C08 | C09 | C10 | H10 | 180.0° | 180.0° |
| C04 | S02 | O03 | O11 | 118.7° | 116.7° |
| S02 | C04 | C05 | C07 | 179.6° | 179.7° |
| S02 | C04 | C05 | C06 | 0.2° | 0.2° |
| C04 | S02 | C01 | H1 | 180.0° | 53.2° |
| C04 | S02 | C01 | H2 | 60.0° | 173.2° |
| C04 | S02 | C01 | H3 | 60.0° | 66.8° |
| S02 | C04 | C10 | H10 | 0.3° | 0.3° |
| O03 | S02 | C04 | C05 | 33.0° | 49.0° |
| O03 | S02 | C01 | H1 | 53.4° | 164.8° |
| O03 | S02 | C01 | H2 | 173.4° | 75.3° |
| O03 | S02 | C01 | H3 | 66.6° | 44.7° |
| O11 | S02 | C04 | C05 | 80.2° | 176.9° |
| O11 | S02 | C01 | H1 | 58.0° | 58.4° |
| O11 | S02 | C01 | H2 | 61.9° | 61.6° |
| O11 | S02 | C01 | H3 | 178.1° | 178.4° |
| C04 | C05 | C07 | C08 | 0.2° | 0.1° |
| C04 | C05 | C07 | C06 | 179.5° | 179.9° |
| C04 | C05 | C06 | H4 | 44.4° | 65.5° |
| C04 | C05 | C06 | H5 | 73.6° | 54.5° |
| C04 | C05 | C07 | H7 | 179.9° | 180.0° |
| C05 | C04 | C10 | H10 | 179.9° | 180.0° |
| C04 | C05 | C06 | O1 | 165.4° | 174.5° |
| C08 | C07 | C05 | H7 | 180.0° | 179.9° |
| C08 | C07 | C05 | C06 | 179.6° | 180.0° |
| C07 | C08 | C09 | H9 | 179.9° | 180.0° |
| C07 | C05 | C06 | H4 | 135.1° | 114.5° |
| C07 | C05 | C06 | H5 | 106.9° | 125.5° |
| C05 | C07 | C08 | H8 | 180.0° | 179.9° |
| C07 | C05 | C06 | O1 | 14.1° | 5.5° |
| C05 | C06 | H4 | H5 | 116.9° | 120.0° |
| C05 | C06 | H4 | O1 | 126.2° | 120.0° |
| C05 | C06 | H5 | O1 | 126.1° | 120.0° |
| C06 | C05 | C07 | H7 | 0.4° | 0.0° |
| C05 | C06 | O1 | H6 | 180.0° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C06 | H5 | O1 | 117.0° | 120.0° |
| H4 | C06 | O1 | H6 | 59.0° | 60.0° |
| H5 | C06 | O1 | H6 | 59.1° | 60.0° |
| H7 | C07 | C08 | H8 | 0.0° | 0.0° |
| H8 | C08 | C09 | H9 | 0.1° | 0.0° |
| H9 | C09 | C10 | H10 | 0.1° | 0.0° |
