0S0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C07 | sing | 1.39Å | 1.39Å | |
| C06 | C04 | doub | 1.38Å | 1.39Å | |
| O05 | C04 | sing | 1.35Å | 1.35Å | |
| C07 | C08 | doub | 1.40Å | 1.42Å | |
| C04 | N03 | sing | 1.36Å | 1.38Å | |
| O18 | S15 | doub | 1.42Å | 1.49Å | |
| O16 | S15 | doub | 1.42Å | 1.44Å | |
| C13 | C12 | doub | 1.38Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C08 | N09 | sing | 1.36Å | 1.45Å | |
| C08 | C02 | sing | 1.42Å | 1.43Å | |
| N03 | C02 | sing | 1.35Å | 1.33Å | |
| N09 | N10 | doub | 1.29Å | 1.22Å | |
| S15 | C14 | sing | 1.76Å | 1.77Å | |
| S15 | N17 | sing | 1.66Å | 1.60Å | |
| C02 | O01 | doub | 1.22Å | 1.23Å | |
| C14 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | N10 | sing | 1.37Å | 1.47Å | |
| C11 | C20 | doub | 1.40Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.36Å | Aromatic |
| N03 | H1 | sing | 0.97Å | 1.00Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| N17 | H7 | sing | 0.97Å | 1.00Å | |
| N17 | H8 | sing | 0.97Å | 1.00Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| O05 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | C04 | 119.5° | 119.9° |
| C06 | C07 | C08 | 118.7° | 119.0° |
| C07 | C06 | H2 | 120.2° | 120.0° |
| C06 | C07 | H3 | 120.6° | 120.5° |
| C06 | C04 | O05 | 119.8° | 119.5° |
| C06 | C04 | N03 | 120.7° | 121.0° |
| C04 | C06 | H2 | 120.3° | 120.1° |
| O05 | C04 | N03 | 119.5° | 119.5° |
| C04 | O05 | H11 | 109.5° | 114.0° |
| C07 | C08 | N09 | 116.7° | 120.4° |
| C07 | C08 | C02 | 119.4° | 119.1° |
| C08 | C07 | H3 | 120.6° | 120.5° |
| C04 | N03 | C02 | 122.0° | 121.0° |
| C04 | N03 | H1 | 119.0° | 119.5° |
| O18 | S15 | O16 | 101.1° | 123.2° |
| O18 | S15 | C14 | 107.3° | 106.4° |
| O18 | S15 | N17 | 114.7° | 106.4° |
| O16 | S15 | C14 | 112.9° | 106.4° |
| O16 | S15 | N17 | 111.2° | 106.4° |
| C12 | C13 | C14 | 119.2° | 120.2° |
| C13 | C12 | C11 | 119.2° | 119.8° |
| C13 | C12 | H5 | 120.4° | 120.0° |
| C12 | C13 | H6 | 120.4° | 119.9° |
| C13 | C14 | S15 | 119.8° | 119.8° |
| C13 | C14 | C19 | 121.7° | 120.3° |
| C14 | C13 | H6 | 120.4° | 119.9° |
| C12 | C11 | N10 | 118.5° | 120.2° |
| C12 | C11 | C20 | 121.8° | 119.7° |
| C11 | C12 | H5 | 120.4° | 120.1° |
| N09 | C08 | C02 | 124.0° | 120.5° |
| C08 | N09 | N10 | 125.4° | 120.0° |
| C08 | C02 | N03 | 119.6° | 120.0° |
| C08 | C02 | O01 | 122.2° | 120.0° |
| N03 | C02 | O01 | 118.2° | 120.0° |
| C02 | N03 | H1 | 119.0° | 119.5° |
| N09 | N10 | C11 | 117.2° | 120.0° |
| C14 | S15 | N17 | 109.5° | 107.2° |
| S15 | C14 | C19 | 118.5° | 119.8° |
| S15 | N17 | H7 | 109.5° | 120.0° |
| S15 | N17 | H8 | 109.4° | 120.0° |
| C14 | C19 | C20 | 119.5° | 120.2° |
| C14 | C19 | H9 | 120.3° | 119.9° |
| N10 | C11 | C20 | 119.7° | 120.2° |
| C11 | C20 | C19 | 118.7° | 119.8° |
| C11 | C20 | H10 | 120.7° | 120.1° |
| C20 | C19 | H9 | 120.3° | 119.9° |
| C19 | C20 | H10 | 120.7° | 120.1° |
| H7 | N17 | H8 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C04 | H2 | 180.0° | 179.7° |
| C07 | C06 | C04 | O05 | 179.5° | 180.0° |
| C06 | C07 | C08 | H3 | 180.0° | 179.7° |
| C07 | C06 | C04 | N03 | 0.2° | 0.0° |
| C06 | C07 | C08 | N09 | 179.5° | 180.0° |
| C06 | C07 | C08 | C02 | 0.0° | 0.6° |
| C06 | C04 | O05 | N03 | 179.7° | 179.9° |
| C04 | C06 | C07 | C08 | 0.5° | 0.3° |
| C06 | C04 | N03 | C02 | 0.6° | 0.0° |
| C06 | C04 | N03 | H1 | 179.4° | 180.0° |
| C04 | C06 | C07 | H3 | 179.5° | 180.0° |
| C06 | C04 | O05 | H11 | 180.0° | 0.0° |
| O05 | C04 | N03 | C02 | 179.6° | 180.0° |
| O05 | C04 | N03 | H1 | 0.4° | 0.1° |
| O05 | C04 | C06 | H2 | 0.5° | 0.3° |
| C07 | C08 | N09 | C02 | 179.5° | 179.4° |
| C07 | C08 | C02 | N03 | 0.8° | 0.6° |
| C07 | C08 | N09 | N10 | 179.6° | 0.0° |
| C07 | C08 | C02 | O01 | 179.5° | 179.7° |
| C08 | C07 | C06 | H2 | 179.5° | 180.0° |
| C04 | N03 | C02 | C08 | 1.1° | 0.3° |
| C04 | N03 | C02 | H1 | 180.0° | 180.0° |
| C04 | N03 | C02 | O01 | 179.8° | 180.0° |
| N03 | C04 | C06 | H2 | 179.8° | 179.7° |
| N03 | C04 | O05 | H11 | 0.2° | 179.9° |
| O18 | S15 | O16 | C14 | 114.4° | 122.9° |
| O18 | S15 | O16 | N17 | 122.2° | 123.0° |
| O18 | S15 | C14 | C13 | 92.1° | 156.5° |
| O18 | S15 | C14 | N17 | 125.1° | 113.6° |
| O18 | S15 | C14 | C19 | 87.5° | 23.6° |
| O18 | S15 | N17 | H7 | 180.0° | 36.4° |
| O18 | S15 | N17 | H8 | 60.0° | 143.5° |
| O16 | S15 | C14 | C13 | 18.5° | 23.5° |
| O16 | S15 | C14 | N17 | 124.4° | 113.5° |
| O16 | S15 | C14 | C19 | 162.0° | 156.5° |
| O16 | S15 | N17 | H7 | 66.1° | 96.5° |
| O16 | S15 | N17 | H8 | 173.9° | 83.6° |
| C12 | C13 | C14 | H6 | 180.0° | 180.0° |
| C13 | C12 | C11 | H5 | 180.0° | 180.0° |
| C12 | C13 | C14 | S15 | 179.4° | 180.0° |
| C12 | C13 | C14 | C19 | 0.1° | 0.0° |
| C13 | C12 | C11 | N10 | 179.1° | 179.9° |
| C13 | C12 | C11 | C20 | 0.7° | 0.3° |
| C14 | C13 | C12 | C11 | 0.6° | 0.0° |
| C13 | C14 | S15 | C19 | 179.5° | 180.0° |
| C13 | C14 | S15 | N17 | 142.9° | 90.0° |
| C13 | C14 | C19 | C20 | 0.4° | 0.3° |
| C14 | C13 | C12 | H5 | 179.4° | 180.0° |
| C13 | C14 | C19 | H9 | 179.6° | 180.0° |
| C12 | C11 | N10 | N09 | 0.5° | 0.4° |
| C12 | C11 | N10 | C20 | 179.8° | 179.6° |
| C12 | C11 | C20 | C19 | 0.3° | 0.6° |
| C11 | C12 | C13 | H6 | 179.4° | 180.0° |
| C12 | C11 | C20 | H10 | 179.7° | 179.7° |
| N09 | C08 | C02 | N03 | 178.6° | 180.0° |
| N09 | C08 | C02 | O01 | 0.0° | 0.3° |
| C08 | N09 | N10 | C11 | 160.2° | 180.0° |
| N09 | C08 | C07 | H3 | 0.5° | 0.3° |
| C08 | C02 | N03 | O01 | 178.7° | 179.7° |
| C02 | C08 | N09 | N10 | 0.2° | 179.4° |
| C08 | C02 | N03 | H1 | 178.9° | 179.7° |
| C02 | C08 | C07 | H3 | 180.0° | 179.7° |
| N09 | N10 | C11 | C20 | 179.3° | 180.0° |
| S15 | C14 | C19 | C20 | 179.9° | 179.7° |
| S15 | C14 | C13 | H6 | 0.6° | 0.1° |
| C14 | S15 | N17 | H7 | 59.3° | 150.0° |
| C14 | S15 | N17 | H8 | 60.7° | 30.0° |
| S15 | C14 | C19 | H9 | 0.1° | 0.0° |
| N17 | S15 | C14 | C19 | 37.6° | 90.0° |
| S15 | N17 | H7 | H8 | 119.9° | 179.9° |
| O01 | C02 | N03 | H1 | 0.2° | 0.0° |
| C14 | C19 | C20 | C11 | 0.3° | 0.6° |
| C14 | C19 | C20 | H9 | 180.0° | 179.7° |
| C19 | C14 | C13 | H6 | 179.9° | 180.0° |
| C14 | C19 | C20 | H10 | 179.7° | 179.7° |
| N10 | C11 | C20 | C19 | 179.6° | 179.8° |
| N10 | C11 | C12 | H5 | 0.9° | 0.1° |
| N10 | C11 | C20 | H10 | 0.4° | 0.1° |
| C11 | C20 | C19 | H10 | 180.0° | 179.7° |
| C20 | C11 | C12 | H5 | 179.3° | 179.7° |
| C11 | C20 | C19 | H9 | 179.7° | 179.7° |
| H2 | C06 | C07 | H3 | 0.5° | 0.3° |
| H5 | C12 | C13 | H6 | 0.6° | 0.0° |
| H9 | C19 | C20 | H10 | 0.3° | 0.0° |
