U58
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.26Å | |
| C02 | O03 | sing | 1.34Å | 1.27Å | |
| C02 | C04 | sing | 1.51Å | 1.53Å | |
| C16 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.42Å | 1.38Å | Aromatic |
| C12 | C07 | doub | 1.42Å | 1.42Å | Aromatic |
| S06 | C07 | sing | 1.76Å | 1.82Å | |
| S06 | C05 | sing | 1.81Å | 1.81Å | |
| C11 | N10 | doub | 1.34Å | 1.34Å | Aromatic |
| C07 | N08 | sing | 1.33Å | 1.32Å | Aromatic |
| N10 | C09 | sing | 1.31Å | 1.32Å | Aromatic |
| N08 | C09 | doub | 1.32Å | 1.32Å | Aromatic |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| O03 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 120.6° | 120.8° |
| C14 | C15 | C16 | 119.8° | 121.1° |
| C15 | C14 | H7 | 119.7° | 119.5° |
| C14 | C15 | H8 | 120.1° | 119.5° |
| C14 | C13 | C12 | 119.9° | 119.5° |
| C14 | C13 | H6 | 120.0° | 120.2° |
| C13 | C14 | H7 | 119.7° | 119.6° |
| C15 | C16 | C11 | 119.4° | 119.6° |
| C16 | C15 | H8 | 120.1° | 119.5° |
| C15 | C16 | H9 | 120.3° | 120.2° |
| C13 | C12 | C11 | 119.1° | 119.7° |
| C13 | C12 | C07 | 122.8° | 122.1° |
| C12 | C13 | H6 | 120.0° | 120.3° |
| O01 | C02 | O03 | 120.4° | 120.0° |
| O01 | C02 | C04 | 119.9° | 120.0° |
| O03 | C02 | C04 | 119.6° | 120.0° |
| C02 | O03 | H10 | 109.5° | 117.0° |
| C02 | C04 | C05 | 113.2° | 109.5° |
| C02 | C04 | H1 | 108.5° | 109.5° |
| C02 | C04 | H2 | 108.6° | 109.5° |
| C16 | C11 | C12 | 121.1° | 119.3° |
| C16 | C11 | N10 | 119.6° | 122.0° |
| C11 | C16 | H9 | 120.4° | 120.2° |
| C04 | C05 | S06 | 111.4° | 109.5° |
| C05 | C04 | H1 | 108.6° | 109.4° |
| C05 | C04 | H2 | 108.5° | 109.4° |
| C04 | C05 | H3 | 109.0° | 109.5° |
| C04 | C05 | H4 | 109.0° | 109.5° |
| C11 | C12 | C07 | 118.1° | 118.2° |
| C12 | C11 | N10 | 119.3° | 118.7° |
| C12 | C07 | S06 | 123.0° | 120.9° |
| C12 | C07 | N08 | 118.8° | 118.2° |
| C07 | S06 | C05 | 107.5° | 100.0° |
| S06 | C07 | N08 | 118.3° | 120.9° |
| S06 | C05 | H3 | 109.0° | 109.5° |
| S06 | C05 | H4 | 109.0° | 109.5° |
| C11 | N10 | C09 | 121.0° | 120.5° |
| C07 | N08 | C09 | 121.5° | 121.5° |
| N10 | C09 | N08 | 121.4° | 123.0° |
| N10 | C09 | H5 | 119.3° | 118.5° |
| N08 | C09 | H5 | 119.3° | 118.5° |
| H1 | C04 | H2 | 109.4° | 109.6° |
| H3 | C05 | H4 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | H8 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C15 | C16 | C11 | 0.6° | 0.0° |
| C15 | C14 | C13 | H6 | 179.8° | 180.0° |
| C14 | C15 | C16 | H9 | 179.4° | 179.9° |
| C13 | C14 | C15 | C16 | 0.5° | 0.0° |
| C14 | C13 | C12 | H6 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.0° |
| C14 | C13 | C12 | C07 | 179.8° | 180.0° |
| C13 | C14 | C15 | H8 | 179.6° | 179.9° |
| C15 | C16 | C11 | H9 | 180.0° | 179.9° |
| C15 | C16 | C11 | C12 | 0.5° | 0.0° |
| C15 | C16 | C11 | N10 | 179.4° | 180.0° |
| C16 | C15 | C14 | H7 | 179.5° | 180.0° |
| C13 | C12 | C11 | C16 | 0.3° | 0.0° |
| C13 | C12 | C11 | C07 | 179.6° | 180.0° |
| C13 | C12 | C07 | S06 | 0.0° | 0.3° |
| C13 | C12 | C11 | N10 | 179.7° | 180.0° |
| C13 | C12 | C07 | N08 | 179.5° | 180.0° |
| C12 | C13 | C14 | H7 | 179.7° | 180.0° |
| O01 | C02 | O03 | C04 | 176.8° | 179.7° |
| O01 | C02 | C04 | C05 | 53.9° | 0.3° |
| O01 | C02 | C04 | H1 | 66.7° | 120.3° |
| O01 | C02 | C04 | H2 | 174.4° | 119.6° |
| O01 | C02 | O03 | H10 | 0.0° | 0.3° |
| O03 | C02 | C04 | C05 | 129.4° | 180.0° |
| O03 | C02 | C04 | H1 | 110.1° | 60.1° |
| O03 | C02 | C04 | H2 | 8.8° | 60.0° |
| C02 | C04 | C05 | H1 | 120.5° | 120.0° |
| C02 | C04 | C05 | H2 | 120.6° | 120.0° |
| C02 | C04 | C05 | S06 | 82.7° | 180.0° |
| C02 | C04 | H1 | H2 | 118.3° | 120.0° |
| C02 | C04 | C05 | H3 | 156.9° | 60.0° |
| C02 | C04 | C05 | H4 | 37.6° | 60.0° |
| C04 | C02 | O03 | H10 | 176.8° | 180.0° |
| C16 | C11 | C12 | N10 | 180.0° | 180.0° |
| C16 | C11 | C12 | C07 | 179.9° | 180.0° |
| C16 | C11 | N10 | C09 | 179.9° | 180.0° |
| C11 | C16 | C15 | H8 | 179.4° | 179.9° |
| C04 | C05 | S06 | C07 | 124.5° | 180.0° |
| C04 | C05 | S06 | H3 | 120.3° | 120.0° |
| C04 | C05 | S06 | H4 | 120.3° | 120.0° |
| C05 | C04 | H1 | H2 | 118.3° | 120.0° |
| C04 | C05 | H3 | H4 | 119.1° | 120.0° |
| C11 | C12 | C07 | S06 | 179.7° | 179.7° |
| C11 | C12 | C07 | N08 | 0.1° | 0.0° |
| C12 | C11 | N10 | C09 | 0.0° | 0.0° |
| C11 | C12 | C13 | H6 | 179.9° | 180.0° |
| C12 | C11 | C16 | H9 | 179.5° | 179.9° |
| C12 | C07 | S06 | N08 | 179.5° | 179.7° |
| C12 | C07 | S06 | C05 | 175.8° | 179.7° |
| C07 | C12 | C11 | N10 | 0.0° | 0.0° |
| C12 | C07 | N08 | C09 | 0.3° | 0.0° |
| C07 | C12 | C13 | H6 | 0.2° | 0.0° |
| S06 | C07 | N08 | C09 | 179.8° | 179.8° |
| C07 | S06 | C05 | H3 | 4.2° | 60.0° |
| C07 | S06 | C05 | H4 | 115.2° | 60.0° |
| C05 | S06 | C07 | N08 | 4.7° | 0.0° |
| S06 | C05 | C04 | H1 | 37.8° | 60.0° |
| S06 | C05 | C04 | H2 | 156.7° | 60.1° |
| S06 | C05 | H3 | H4 | 119.1° | 120.0° |
| C11 | N10 | C09 | N08 | 0.1° | 0.0° |
| C11 | N10 | C09 | H5 | 179.9° | 180.0° |
| N10 | C11 | C16 | H9 | 0.5° | 0.0° |
| C07 | N08 | C09 | N10 | 0.3° | 0.0° |
| C07 | N08 | C09 | H5 | 179.7° | 180.0° |
| N10 | C09 | N08 | H5 | 180.0° | 179.9° |
| H1 | C04 | C05 | H3 | 82.5° | 180.0° |
| H1 | C04 | C05 | H4 | 158.1° | 60.0° |
| H2 | C04 | C05 | H3 | 36.4° | 60.0° |
| H2 | C04 | C05 | H4 | 83.0° | 179.9° |
| H6 | C13 | C14 | H7 | 0.2° | 0.0° |
| H7 | C14 | C15 | H8 | 0.5° | 0.1° |
| H8 | C15 | C16 | H9 | 0.6° | 0.0° |
