U88
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N03 | C04 | sing | 1.32Å | 1.43Å | Aromatic |
| N03 | C02 | doub | 1.29Å | 1.35Å | Aromatic |
| C04 | C05 | doub | 1.34Å | 1.39Å | Aromatic |
| C02 | S09 | sing | 1.71Å | 1.74Å | Aromatic |
| C05 | S09 | sing | 1.76Å | 1.71Å | Aromatic |
| C05 | N06 | sing | 1.48Å | 1.51Å | |
| O07 | N06 | sing | 1.22Å | 1.22Å | |
| N06 | O08 | doub | 1.22Å | 1.22Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | N03 | C02 | 110.8° | 117.1° |
| N03 | C04 | C05 | 114.7° | 114.5° |
| N03 | C04 | H041 | 122.6° | 122.8° |
| N03 | C02 | S09 | 112.8° | 110.2° |
| N03 | C02 | H1 | 123.6° | 124.9° |
| C04 | C05 | S09 | 109.5° | 107.9° |
| C04 | C05 | N06 | 129.0° | 126.0° |
| C05 | C04 | H041 | 122.7° | 122.7° |
| C02 | S09 | C05 | 92.2° | 90.3° |
| S09 | C02 | H1 | 123.6° | 124.9° |
| S09 | C05 | N06 | 121.5° | 126.1° |
| C05 | N06 | O07 | 118.2° | 120.0° |
| C05 | N06 | O08 | 118.4° | 120.0° |
| O07 | N06 | O08 | 123.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N03 | C04 | C05 | H041 | 180.0° | 179.4° |
| C04 | N03 | C02 | S09 | 0.4° | 0.0° |
| N03 | C04 | C05 | S09 | 0.1° | 0.6° |
| N03 | C04 | C05 | N06 | 179.9° | 179.5° |
| C04 | N03 | C02 | H1 | 179.6° | 179.7° |
| C02 | N03 | C04 | C05 | 0.2° | 0.4° |
| N03 | C02 | S09 | H1 | 180.0° | 179.7° |
| N03 | C02 | S09 | C05 | 0.4° | 0.3° |
| C02 | N03 | C04 | H041 | 179.8° | 179.8° |
| C04 | C05 | S09 | C02 | 0.3° | 0.5° |
| C04 | C05 | S09 | N06 | 180.0° | 179.9° |
| C04 | C05 | N06 | O07 | 19.6° | 180.0° |
| C04 | C05 | N06 | O08 | 160.6° | 0.0° |
| C02 | S09 | C05 | N06 | 179.8° | 179.6° |
| S09 | C05 | N06 | O07 | 160.5° | 0.1° |
| S09 | C05 | N06 | O08 | 19.3° | 179.9° |
| C05 | S09 | C02 | H1 | 179.6° | 180.0° |
| S09 | C05 | C04 | H041 | 179.9° | 180.0° |
| C05 | N06 | O07 | O08 | 179.8° | 180.0° |
| N06 | C05 | C04 | H041 | 0.1° | 0.1° |






