5YT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.38Å | 1.44Å | |
| C02 | S13 | sing | 1.76Å | 1.69Å | Aromatic |
| C02 | N03 | doub | 1.29Å | 1.33Å | Aromatic |
| C12 | C11 | doub | 1.31Å | 1.31Å | |
| S13 | C08 | sing | 1.76Å | 1.69Å | Aromatic |
| N03 | C04 | sing | 1.34Å | 1.36Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C04 | C08 | doub | 1.35Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.47Å | 1.52Å | |
| C08 | C09 | sing | 1.51Å | 1.52Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| O07 | C05 | doub | 1.22Å | 1.26Å | |
| C05 | O06 | sing | 1.35Å | 1.26Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| N01 | H5 | sing | 0.97Å | 1.00Å | |
| N01 | H6 | sing | 0.97Å | 1.00Å | |
| O06 | H7 | sing | 0.97Å | 0.95Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | S13 | 126.3° | 125.2° |
| N01 | C02 | N03 | 126.0° | 125.2° |
| C02 | N01 | H5 | 109.5° | 120.0° |
| C02 | N01 | H6 | 109.5° | 120.0° |
| S13 | C02 | N03 | 107.7° | 109.7° |
| C02 | S13 | C08 | 96.7° | 90.2° |
| C02 | N03 | C04 | 115.7° | 116.9° |
| C12 | C11 | C10 | 120.4° | 120.0° |
| C11 | C12 | H3 | 120.0° | 120.0° |
| C11 | C12 | H4 | 120.0° | 120.0° |
| C12 | C11 | H10 | 119.8° | 120.0° |
| S13 | C08 | C04 | 105.0° | 108.3° |
| S13 | C08 | C09 | 124.5° | 125.8° |
| N03 | C04 | C08 | 114.9° | 115.0° |
| N03 | C04 | C05 | 119.2° | 122.5° |
| C11 | C10 | C09 | 109.9° | 109.4° |
| C11 | C10 | H1 | 109.4° | 109.5° |
| C11 | C10 | H2 | 109.4° | 109.4° |
| C10 | C11 | H10 | 119.8° | 120.1° |
| C08 | C04 | C05 | 125.9° | 122.5° |
| C04 | C08 | C09 | 130.5° | 125.9° |
| C04 | C05 | O07 | 117.4° | 120.0° |
| C04 | C05 | O06 | 120.5° | 120.0° |
| C08 | C09 | C10 | 108.7° | 109.4° |
| C08 | C09 | H8 | 109.6° | 109.4° |
| C08 | C09 | H9 | 109.7° | 109.5° |
| C09 | C10 | H1 | 109.4° | 109.5° |
| C09 | C10 | H2 | 109.4° | 109.5° |
| C10 | C09 | H8 | 109.7° | 109.5° |
| C10 | C09 | H9 | 109.7° | 109.5° |
| O07 | C05 | O06 | 122.0° | 120.0° |
| C05 | O06 | H7 | 109.5° | 117.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C12 | H4 | 120.0° | 120.0° |
| H5 | N01 | H6 | 109.5° | 120.0° |
| H8 | C09 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | S13 | N03 | 179.2° | 179.8° |
| N01 | C02 | S13 | C08 | 179.8° | 179.9° |
| N01 | C02 | N03 | C04 | 179.6° | 180.0° |
| C02 | N01 | H5 | H6 | 120.0° | 180.0° |
| S13 | C02 | N03 | C04 | 0.4° | 0.2° |
| C02 | S13 | C08 | C04 | 1.4° | 0.2° |
| C02 | S13 | C08 | C09 | 179.7° | 180.0° |
| S13 | C02 | N01 | H5 | 0.0° | 0.0° |
| S13 | C02 | N01 | H6 | 120.0° | 180.0° |
| N03 | C02 | S13 | C08 | 1.0° | 0.3° |
| C02 | N03 | C04 | C08 | 0.7° | 0.0° |
| C02 | N03 | C04 | C05 | 179.2° | 179.9° |
| N03 | C02 | N01 | H5 | 179.0° | 179.8° |
| N03 | C02 | N01 | H6 | 59.0° | 0.3° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 85.7° | 125.0° |
| C12 | C11 | C10 | H1 | 154.2° | 5.0° |
| C12 | C11 | C10 | H2 | 34.4° | 115.0° |
| C11 | C12 | H3 | H4 | 180.0° | 180.0° |
| S13 | C08 | C04 | N03 | 1.4° | 0.2° |
| S13 | C08 | C04 | C09 | 178.2° | 179.8° |
| S13 | C08 | C04 | C05 | 179.8° | 179.7° |
| S13 | C08 | C09 | C10 | 73.3° | 89.7° |
| S13 | C08 | C09 | H8 | 46.6° | 150.3° |
| S13 | C08 | C09 | H9 | 166.8° | 30.3° |
| N03 | C04 | C08 | C05 | 178.4° | 179.9° |
| N03 | C04 | C08 | C09 | 179.6° | 180.0° |
| N03 | C04 | C05 | O07 | 5.7° | 180.0° |
| N03 | C04 | C05 | O06 | 172.7° | 0.1° |
| C11 | C10 | C09 | C08 | 61.3° | 180.0° |
| C11 | C10 | C09 | H1 | 120.1° | 120.0° |
| C11 | C10 | C09 | H2 | 120.1° | 119.9° |
| C11 | C10 | H1 | H2 | 119.8° | 120.0° |
| C10 | C11 | C12 | H3 | 0.0° | 0.0° |
| C10 | C11 | C12 | H4 | 180.0° | 180.0° |
| C11 | C10 | C09 | H8 | 178.9° | 60.1° |
| C11 | C10 | C09 | H9 | 58.6° | 60.0° |
| C04 | C08 | C09 | C10 | 104.6° | 90.0° |
| C08 | C04 | C05 | O07 | 176.0° | 0.1° |
| C08 | C04 | C05 | O06 | 5.7° | 180.0° |
| C04 | C08 | C09 | H8 | 135.5° | 29.9° |
| C04 | C08 | C09 | H9 | 15.3° | 149.9° |
| C05 | C04 | C08 | C09 | 2.0° | 0.1° |
| C04 | C05 | O07 | O06 | 178.3° | 180.0° |
| C04 | C05 | O06 | H7 | 178.3° | 180.0° |
| C08 | C09 | C10 | H8 | 119.9° | 119.9° |
| C08 | C09 | C10 | H9 | 119.9° | 120.0° |
| C08 | C09 | C10 | H1 | 178.7° | 60.0° |
| C08 | C09 | C10 | H2 | 58.8° | 60.1° |
| C08 | C09 | H8 | H9 | 120.3° | 120.0° |
| C09 | C10 | H1 | H2 | 119.8° | 120.0° |
| C10 | C09 | H8 | H9 | 120.4° | 120.0° |
| C09 | C10 | C11 | H10 | 94.3° | 55.0° |
| O07 | C05 | O06 | H7 | 0.0° | 0.1° |
| H1 | C10 | C09 | H8 | 58.8° | 60.0° |
| H1 | C10 | C09 | H9 | 61.4° | 180.0° |
| H1 | C10 | C11 | H10 | 25.8° | 175.0° |
| H2 | C10 | C09 | H8 | 61.1° | 180.0° |
| H2 | C10 | C09 | H9 | 178.7° | 60.0° |
| H2 | C10 | C11 | H10 | 145.6° | 64.9° |
| H3 | C12 | C11 | H10 | 180.0° | 180.0° |
| H4 | C12 | C11 | H10 | 0.0° | 0.0° |
