S5Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S17 | C16 | sing | 1.81Å | 1.80Å | |
| C16 | C15 | sing | 1.51Å | 1.49Å | |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C04 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.24Å | |
| C02 | O03 | sing | 1.35Å | 1.26Å | |
| C02 | C04 | sing | 1.48Å | 1.54Å | |
| C04 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.48Å | 1.48Å | |
| C07 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| O03 | H3 | sing | 0.97Å | 0.95Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| S17 | H12 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S17 | C16 | C15 | 113.0° | 109.5° |
| S17 | C16 | H10 | 108.6° | 109.4° |
| S17 | C16 | H11 | 108.6° | 109.5° |
| C16 | S17 | H12 | 102.0° | 103.0° |
| C16 | C15 | C14 | 119.2° | 120.0° |
| C16 | C15 | C04 | 121.7° | 120.0° |
| C15 | C16 | H10 | 108.6° | 109.5° |
| C15 | C16 | H11 | 108.6° | 109.5° |
| C14 | C15 | C04 | 119.1° | 120.0° |
| C15 | C14 | C07 | 122.3° | 120.1° |
| C15 | C14 | H9 | 118.9° | 120.0° |
| C15 | C04 | C02 | 124.6° | 120.0° |
| C15 | C04 | C05 | 118.2° | 120.0° |
| C14 | C07 | C08 | 123.8° | 120.0° |
| C14 | C07 | C06 | 117.8° | 120.1° |
| C07 | C14 | H9 | 118.8° | 120.0° |
| O01 | C02 | O03 | 125.7° | 119.9° |
| O01 | C02 | C04 | 117.6° | 120.0° |
| O03 | C02 | C04 | 116.7° | 120.0° |
| C02 | O03 | H3 | 109.5° | 117.0° |
| C02 | C04 | C05 | 117.3° | 120.0° |
| C04 | C05 | C06 | 122.3° | 120.0° |
| C04 | C05 | H4 | 118.9° | 120.0° |
| C08 | C07 | C06 | 118.4° | 120.0° |
| C07 | C08 | C09 | 120.7° | 120.1° |
| C07 | C08 | C13 | 122.3° | 120.1° |
| C07 | C06 | C05 | 120.4° | 120.0° |
| C07 | C06 | H5 | 119.8° | 120.0° |
| C08 | C09 | C10 | 121.3° | 119.9° |
| C09 | C08 | C13 | 117.0° | 119.7° |
| C08 | C09 | H6 | 119.3° | 120.1° |
| C09 | C10 | C11 | 120.9° | 120.2° |
| C09 | C10 | H1 | 119.6° | 119.9° |
| C10 | C09 | H6 | 119.4° | 120.1° |
| C08 | C13 | C12 | 121.6° | 119.9° |
| C08 | C13 | H2 | 119.2° | 120.0° |
| C10 | C11 | C12 | 118.7° | 120.3° |
| C11 | C10 | H1 | 119.5° | 119.9° |
| C10 | C11 | H7 | 120.6° | 119.9° |
| C13 | C12 | C11 | 120.5° | 120.1° |
| C12 | C13 | H2 | 119.2° | 120.1° |
| C13 | C12 | H8 | 119.7° | 120.0° |
| C12 | C11 | H7 | 120.7° | 119.8° |
| C11 | C12 | H8 | 119.8° | 120.0° |
| C06 | C05 | H4 | 118.9° | 120.0° |
| C05 | C06 | H5 | 119.8° | 120.0° |
| H10 | C16 | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S17 | C16 | C15 | H10 | 120.5° | 120.0° |
| S17 | C16 | C15 | H11 | 120.5° | 120.0° |
| S17 | C16 | C15 | C14 | 33.4° | 96.8° |
| S17 | C16 | C15 | C04 | 146.5° | 82.9° |
| S17 | C16 | H10 | H11 | 118.4° | 120.0° |
| C16 | C15 | C14 | C04 | 179.8° | 179.7° |
| C16 | C15 | C14 | C07 | 180.0° | 179.7° |
| C16 | C15 | C04 | C02 | 0.2° | 0.3° |
| C16 | C15 | C04 | C05 | 179.7° | 179.7° |
| C16 | C15 | C14 | H9 | 0.1° | 0.3° |
| C15 | C16 | H10 | H11 | 118.4° | 120.0° |
| C15 | C16 | S17 | H12 | 180.0° | 180.0° |
| C15 | C14 | C07 | H9 | 180.0° | 180.0° |
| C14 | C15 | C04 | C02 | 179.6° | 180.0° |
| C14 | C15 | C04 | C05 | 0.1° | 0.0° |
| C15 | C14 | C07 | C08 | 179.4° | 180.0° |
| C15 | C14 | C07 | C06 | 0.5° | 0.0° |
| C14 | C15 | C16 | H10 | 87.2° | 143.3° |
| C14 | C15 | C16 | H11 | 153.9° | 23.3° |
| C04 | C15 | C14 | C07 | 0.2° | 0.0° |
| C15 | C04 | C02 | O01 | 44.7° | 6.1° |
| C15 | C04 | C02 | O03 | 135.1° | 174.0° |
| C15 | C04 | C02 | C05 | 179.5° | 180.0° |
| C15 | C04 | C05 | C06 | 0.1° | 0.0° |
| C15 | C04 | C05 | H4 | 179.9° | 179.9° |
| C04 | C15 | C14 | H9 | 179.8° | 180.0° |
| C04 | C15 | C16 | H10 | 93.0° | 37.1° |
| C04 | C15 | C16 | H11 | 25.9° | 157.1° |
| C14 | C07 | C08 | C06 | 178.9° | 180.0° |
| C14 | C07 | C08 | C09 | 39.4° | 0.8° |
| C14 | C07 | C08 | C13 | 139.8° | 180.0° |
| C14 | C07 | C06 | C05 | 0.5° | 0.0° |
| C14 | C07 | C06 | H5 | 179.5° | 180.0° |
| O01 | C02 | O03 | C04 | 179.8° | 180.0° |
| O01 | C02 | C04 | C05 | 135.8° | 174.0° |
| O01 | C02 | O03 | H3 | 0.0° | 0.0° |
| O03 | C02 | C04 | C05 | 44.4° | 6.0° |
| C02 | C04 | C05 | C06 | 179.6° | 180.0° |
| C04 | C02 | O03 | H3 | 179.8° | 180.0° |
| C02 | C04 | C05 | H4 | 0.3° | 0.1° |
| C04 | C05 | C06 | C07 | 0.2° | 0.0° |
| C04 | C05 | C06 | H4 | 180.0° | 179.9° |
| C04 | C05 | C06 | H5 | 179.8° | 180.0° |
| C07 | C08 | C09 | C13 | 179.2° | 179.2° |
| C07 | C08 | C09 | C10 | 179.6° | 179.7° |
| C07 | C08 | C13 | C12 | 179.6° | 180.0° |
| C08 | C07 | C06 | C05 | 179.4° | 179.9° |
| C07 | C08 | C13 | H2 | 0.4° | 0.5° |
| C08 | C07 | C06 | H5 | 0.6° | 0.1° |
| C07 | C08 | C09 | H6 | 0.4° | 0.3° |
| C08 | C07 | C14 | H9 | 0.6° | 0.0° |
| C06 | C07 | C08 | C09 | 141.8° | 179.2° |
| C06 | C07 | C08 | C13 | 39.0° | 0.0° |
| C07 | C06 | C05 | H5 | 180.0° | 180.0° |
| C07 | C06 | C05 | H4 | 179.8° | 179.9° |
| C06 | C07 | C14 | H9 | 179.5° | 180.0° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.1° | 0.0° |
| C09 | C08 | C13 | C12 | 0.4° | 0.7° |
| C08 | C09 | C10 | H1 | 179.9° | 179.7° |
| C09 | C08 | C13 | H2 | 179.6° | 179.8° |
| C10 | C09 | C08 | C13 | 0.3° | 0.5° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.0° | 0.3° |
| C09 | C10 | C11 | H7 | 180.0° | 179.7° |
| C08 | C13 | C12 | H2 | 180.0° | 179.5° |
| C08 | C13 | C12 | C11 | 0.3° | 0.5° |
| C13 | C08 | C09 | H6 | 179.7° | 179.5° |
| C08 | C13 | C12 | H8 | 179.7° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H7 | 180.0° | 180.0° |
| C11 | C10 | C09 | H6 | 179.9° | 180.0° |
| C10 | C11 | C12 | H8 | 179.9° | 179.5° |
| C13 | C12 | C11 | H8 | 180.0° | 179.6° |
| C13 | C12 | C11 | H7 | 179.9° | 180.0° |
| C12 | C11 | C10 | H1 | 180.0° | 180.0° |
| C11 | C12 | C13 | H2 | 179.7° | 180.0° |
| H1 | C10 | C09 | H6 | 0.1° | 0.3° |
| H1 | C10 | C11 | H7 | 0.0° | 0.0° |
| H2 | C13 | C12 | H8 | 0.3° | 0.4° |
| H4 | C05 | C06 | H5 | 0.2° | 0.1° |
| H7 | C11 | C12 | H8 | 0.1° | 0.5° |
| H10 | C16 | S17 | H12 | 59.5° | 60.0° |
| H11 | C16 | S17 | H12 | 59.5° | 60.0° |
