5ZU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.22Å | 1.25Å | |
| C02 | O03 | sing | 1.35Å | 1.26Å | |
| C02 | C04 | sing | 1.47Å | 1.50Å | |
| C08 | C07 | doub | 1.33Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.42Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.51Å | |
| C06 | C05 | sing | 1.51Å | 1.54Å | |
| C07 | S11 | sing | 1.76Å | 1.69Å | Aromatic |
| C09 | C10 | doub | 1.33Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.35Å | 1.42Å | Aromatic |
| C04 | N15 | sing | 1.34Å | 1.36Å | Aromatic |
| C05 | S12 | sing | 1.76Å | 1.71Å | Aromatic |
| N15 | C13 | doub | 1.29Å | 1.34Å | Aromatic |
| C10 | S11 | sing | 1.76Å | 1.70Å | Aromatic |
| S12 | C13 | sing | 1.76Å | 1.70Å | Aromatic |
| C13 | N14 | sing | 1.38Å | 1.43Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| N14 | H7 | sing | 0.97Å | 1.00Å | |
| N14 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | O03 | 122.1° | 119.9° |
| O01 | C02 | C04 | 120.7° | 120.0° |
| O03 | C02 | C04 | 117.2° | 120.0° |
| C02 | O03 | H1 | 109.5° | 117.0° |
| C02 | C04 | C05 | 125.0° | 122.5° |
| C02 | C04 | N15 | 118.5° | 122.5° |
| C07 | C08 | C09 | 112.6° | 114.9° |
| C08 | C07 | C06 | 126.6° | 125.2° |
| C08 | C07 | S11 | 107.4° | 109.6° |
| C07 | C08 | H4 | 123.7° | 122.6° |
| C08 | C09 | C10 | 115.6° | 114.9° |
| C09 | C08 | H4 | 123.7° | 122.5° |
| C08 | C09 | H5 | 122.2° | 122.5° |
| C07 | C06 | C05 | 114.0° | 109.5° |
| C06 | C07 | S11 | 126.0° | 125.2° |
| C07 | C06 | H2 | 108.3° | 109.5° |
| C07 | C06 | H3 | 108.3° | 109.4° |
| C06 | C05 | C04 | 127.7° | 125.9° |
| C06 | C05 | S12 | 127.5° | 125.9° |
| C05 | C06 | H2 | 108.3° | 109.5° |
| C05 | C06 | H3 | 108.3° | 109.5° |
| C07 | S11 | C10 | 98.4° | 91.0° |
| C09 | C10 | S11 | 105.9° | 109.6° |
| C10 | C09 | H5 | 122.2° | 122.5° |
| C09 | C10 | H6 | 127.0° | 125.2° |
| C05 | C04 | N15 | 116.4° | 115.0° |
| C04 | C05 | S12 | 104.7° | 108.2° |
| C04 | N15 | C13 | 113.8° | 116.9° |
| C05 | S12 | C13 | 95.6° | 90.2° |
| N15 | C13 | S12 | 109.4° | 109.6° |
| N15 | C13 | N14 | 125.2° | 125.2° |
| S11 | C10 | H6 | 127.0° | 125.2° |
| S12 | C13 | N14 | 125.4° | 125.2° |
| C13 | N14 | H7 | 109.5° | 120.0° |
| C13 | N14 | H8 | 109.4° | 120.0° |
| H2 | C06 | H3 | 109.5° | 109.4° |
| H7 | N14 | H8 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | O03 | C04 | 178.6° | 180.0° |
| O01 | C02 | C04 | C05 | 12.7° | 0.0° |
| O01 | C02 | C04 | N15 | 170.9° | 180.0° |
| O01 | C02 | O03 | H1 | 0.0° | 0.0° |
| O03 | C02 | C04 | C05 | 165.9° | 180.0° |
| O03 | C02 | C04 | N15 | 10.5° | 0.0° |
| C02 | C04 | C05 | C06 | 4.9° | 0.1° |
| C02 | C04 | C05 | N15 | 176.5° | 180.0° |
| C02 | C04 | C05 | S12 | 178.6° | 180.0° |
| C02 | C04 | N15 | C13 | 179.3° | 179.8° |
| C04 | C02 | O03 | H1 | 178.6° | 180.0° |
| C07 | C08 | C09 | H4 | 180.0° | 179.9° |
| C08 | C07 | C06 | S11 | 179.6° | 179.8° |
| C08 | C07 | C06 | C05 | 176.3° | 90.3° |
| C07 | C08 | C09 | C10 | 0.1° | 0.1° |
| C08 | C07 | S11 | C10 | 0.2° | 0.3° |
| C08 | C07 | C06 | H2 | 63.0° | 29.8° |
| C08 | C07 | C06 | H3 | 55.7° | 149.7° |
| C07 | C08 | C09 | H5 | 179.9° | 180.0° |
| C09 | C08 | C07 | C06 | 179.9° | 180.0° |
| C09 | C08 | C07 | S11 | 0.2° | 0.2° |
| C08 | C09 | C10 | H5 | 180.0° | 179.9° |
| C08 | C09 | C10 | S11 | 0.1° | 0.3° |
| C08 | C09 | C10 | H6 | 179.9° | 179.9° |
| C07 | C06 | C05 | H2 | 120.7° | 120.0° |
| C07 | C06 | C05 | H3 | 120.7° | 120.0° |
| C07 | C06 | C05 | C04 | 91.9° | 90.0° |
| C07 | C06 | C05 | S12 | 92.3° | 90.0° |
| C06 | C07 | S11 | C10 | 179.9° | 179.9° |
| C07 | C06 | H2 | H3 | 117.9° | 119.9° |
| C06 | C07 | C08 | H4 | 0.1° | 0.1° |
| C05 | C06 | C07 | S11 | 4.0° | 90.0° |
| C06 | C05 | C04 | S12 | 176.5° | 180.0° |
| C06 | C05 | C04 | N15 | 178.6° | 179.9° |
| C06 | C05 | S12 | C13 | 177.5° | 179.8° |
| C05 | C06 | H2 | H3 | 117.9° | 120.0° |
| C07 | S11 | C10 | C09 | 0.2° | 0.3° |
| S11 | C07 | C06 | H2 | 116.6° | 150.0° |
| S11 | C07 | C06 | H3 | 124.7° | 30.1° |
| S11 | C07 | C08 | H4 | 179.8° | 179.7° |
| C07 | S11 | C10 | H6 | 179.8° | 179.9° |
| C09 | C10 | S11 | H6 | 180.0° | 179.8° |
| C10 | C09 | C08 | H4 | 179.9° | 180.0° |
| C05 | C04 | N15 | C13 | 2.5° | 0.2° |
| C04 | C05 | S12 | C13 | 0.9° | 0.2° |
| C04 | C05 | C06 | H2 | 28.8° | 149.9° |
| C04 | C05 | C06 | H3 | 147.5° | 29.9° |
| N15 | C04 | C05 | S12 | 2.1° | 0.1° |
| C04 | N15 | C13 | S12 | 1.6° | 0.3° |
| C04 | N15 | C13 | N14 | 179.8° | 180.0° |
| C05 | S12 | C13 | N15 | 0.3° | 0.3° |
| C05 | S12 | C13 | N14 | 178.9° | 180.0° |
| S12 | C05 | C06 | H2 | 147.0° | 30.0° |
| S12 | C05 | C06 | H3 | 28.3° | 150.0° |
| N15 | C13 | S12 | N14 | 178.6° | 179.7° |
| N15 | C13 | N14 | H7 | 0.0° | 179.7° |
| N15 | C13 | N14 | H8 | 120.0° | 0.4° |
| S11 | C10 | C09 | H5 | 180.0° | 179.8° |
| S12 | C13 | N14 | H7 | 178.4° | 0.1° |
| S12 | C13 | N14 | H8 | 61.6° | 180.0° |
| C13 | N14 | H7 | H8 | 120.0° | 179.9° |
| H4 | C08 | C09 | H5 | 0.1° | 0.1° |
| H5 | C09 | C10 | H6 | 0.0° | 0.1° |
