7PV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | S14 | doub | 1.42Å | 1.48Å | |
| O16 | S14 | doub | 1.42Å | 1.46Å | |
| N15 | S14 | sing | 1.66Å | 1.68Å | |
| S14 | C13 | sing | 1.76Å | 1.80Å | |
| C13 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| O23 | C22 | doub | 1.22Å | 1.20Å | |
| C10 | C09 | sing | 1.51Å | 1.51Å | |
| C22 | N24 | sing | 1.35Å | 1.31Å | |
| C22 | C21 | sing | 1.41Å | 1.42Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C08 | S07 | sing | 1.81Å | 1.79Å | |
| N20 | C21 | sing | 1.36Å | 1.36Å | Aromatic |
| N20 | C06 | doub | 1.31Å | 1.32Å | Aromatic |
| N24 | C02 | sing | 1.36Å | 1.35Å | |
| C21 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
| C06 | S07 | sing | 1.76Å | 1.80Å | |
| C06 | N05 | sing | 1.37Å | 1.30Å | Aromatic |
| C02 | N01 | sing | 1.37Å | 1.44Å | |
| C02 | N03 | doub | 1.31Å | 1.33Å | |
| C04 | N05 | sing | 1.37Å | 1.34Å | Aromatic |
| C04 | N03 | sing | 1.34Å | 1.36Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| N05 | H3 | sing | 0.97Å | 1.00Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| N15 | H10 | sing | 0.97Å | 1.00Å | |
| N15 | H11 | sing | 0.97Å | 1.00Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| N24 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | S14 | O16 | 102.6° | 123.1° |
| O17 | S14 | N15 | 113.9° | 106.4° |
| O17 | S14 | C13 | 103.3° | 106.4° |
| O16 | S14 | N15 | 109.2° | 106.4° |
| O16 | S14 | C13 | 111.4° | 106.4° |
| N15 | S14 | C13 | 115.7° | 107.2° |
| S14 | N15 | H10 | 109.5° | 120.0° |
| S14 | N15 | H11 | 109.5° | 120.0° |
| S14 | C13 | C12 | 120.8° | 120.0° |
| S14 | C13 | C18 | 117.9° | 120.0° |
| C12 | C13 | C18 | 121.2° | 120.0° |
| C13 | C12 | C11 | 119.5° | 120.0° |
| C13 | C12 | H9 | 120.2° | 120.0° |
| C13 | C18 | C19 | 118.9° | 120.0° |
| C13 | C18 | H12 | 120.5° | 120.0° |
| C12 | C11 | C10 | 119.0° | 120.0° |
| C12 | C11 | H8 | 120.5° | 120.0° |
| C11 | C12 | H9 | 120.2° | 120.0° |
| C18 | C19 | C10 | 120.5° | 120.0° |
| C19 | C18 | H12 | 120.5° | 120.0° |
| C18 | C19 | H13 | 119.8° | 120.0° |
| C11 | C10 | C19 | 120.7° | 120.0° |
| C11 | C10 | C09 | 120.5° | 120.0° |
| C10 | C11 | H8 | 120.5° | 120.0° |
| C19 | C10 | C09 | 118.7° | 120.0° |
| C10 | C19 | H13 | 119.8° | 120.1° |
| O23 | C22 | N24 | 119.8° | 120.9° |
| O23 | C22 | C21 | 122.9° | 120.7° |
| C10 | C09 | C08 | 103.2° | 109.5° |
| C10 | C09 | H6 | 111.0° | 109.5° |
| C10 | C09 | H7 | 111.0° | 109.5° |
| N24 | C22 | C21 | 117.4° | 118.4° |
| C22 | N24 | C02 | 122.7° | 120.3° |
| C22 | N24 | H15 | 118.6° | 119.8° |
| C22 | C21 | N20 | 135.0° | 134.0° |
| C22 | C21 | C04 | 119.0° | 118.6° |
| C09 | C08 | S07 | 111.7° | 109.5° |
| C09 | C08 | H4 | 108.9° | 109.5° |
| C09 | C08 | H5 | 108.9° | 109.5° |
| C08 | C09 | H6 | 111.0° | 109.4° |
| C08 | C09 | H7 | 111.0° | 109.5° |
| C08 | S07 | C06 | 102.9° | 100.0° |
| S07 | C08 | H4 | 108.9° | 109.5° |
| S07 | C08 | H5 | 108.9° | 109.4° |
| C21 | N20 | C06 | 107.9° | 109.3° |
| N20 | C21 | C04 | 106.0° | 107.4° |
| N20 | C06 | S07 | 125.9° | 125.2° |
| N20 | C06 | N05 | 110.4° | 109.6° |
| N24 | C02 | N01 | 120.0° | 119.1° |
| N24 | C02 | N03 | 122.3° | 121.9° |
| C02 | N24 | H15 | 118.7° | 119.8° |
| C21 | C04 | N05 | 107.3° | 106.2° |
| C21 | C04 | N03 | 120.7° | 119.7° |
| S07 | C06 | N05 | 123.7° | 125.2° |
| C06 | N05 | C04 | 108.4° | 107.5° |
| C06 | N05 | H3 | 125.8° | 126.3° |
| N01 | C02 | N03 | 117.6° | 119.0° |
| C02 | N01 | H1 | 120.0° | 120.1° |
| C02 | N01 | H2 | 120.0° | 119.9° |
| C02 | N03 | C04 | 117.9° | 121.1° |
| N05 | C04 | N03 | 132.0° | 134.0° |
| C04 | N05 | H3 | 125.8° | 126.3° |
| H1 | N01 | H2 | 120.0° | 120.0° |
| H4 | C08 | H5 | 109.5° | 109.4° |
| H6 | C09 | H7 | 109.5° | 109.4° |
| H10 | N15 | H11 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | S14 | O16 | N15 | 121.1° | 122.9° |
| O17 | S14 | O16 | C13 | 109.9° | 123.0° |
| O17 | S14 | N15 | C13 | 119.5° | 113.5° |
| O17 | S14 | C13 | C12 | 19.6° | 23.5° |
| O17 | S14 | C13 | C18 | 158.6° | 156.8° |
| O17 | S14 | N15 | H10 | 180.0° | 113.6° |
| O17 | S14 | N15 | H11 | 60.0° | 66.5° |
| O16 | S14 | N15 | C13 | 126.6° | 113.6° |
| O16 | S14 | C13 | C12 | 129.0° | 156.4° |
| O16 | S14 | C13 | C18 | 49.2° | 23.9° |
| O16 | S14 | N15 | H10 | 66.1° | 113.5° |
| O16 | S14 | N15 | H11 | 54.0° | 66.4° |
| N15 | S14 | C13 | C12 | 105.5° | 90.0° |
| N15 | S14 | C13 | C18 | 76.2° | 89.7° |
| S14 | N15 | H10 | H11 | 120.0° | 180.0° |
| S14 | C13 | C12 | C18 | 178.2° | 179.7° |
| S14 | C13 | C12 | C11 | 179.3° | 180.0° |
| S14 | C13 | C18 | C19 | 179.0° | 179.9° |
| S14 | C13 | C12 | H9 | 0.7° | 0.0° |
| C13 | S14 | N15 | H10 | 60.5° | 0.1° |
| C13 | S14 | N15 | H11 | 179.5° | 180.0° |
| S14 | C13 | C18 | H12 | 1.0° | 0.3° |
| C13 | C12 | C11 | H9 | 180.0° | 180.0° |
| C12 | C13 | C18 | C19 | 0.8° | 0.3° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C13 | C12 | C11 | H8 | 179.6° | 179.9° |
| C12 | C13 | C18 | H12 | 179.2° | 179.9° |
| C18 | C13 | C12 | C11 | 1.1° | 0.3° |
| C13 | C18 | C19 | H12 | 180.0° | 179.6° |
| C13 | C18 | C19 | C10 | 1.0° | 0.1° |
| C18 | C13 | C12 | H9 | 178.9° | 179.7° |
| C13 | C18 | C19 | H13 | 179.0° | 180.0° |
| C12 | C11 | C10 | H8 | 180.0° | 180.0° |
| C12 | C11 | C10 | C19 | 2.1° | 0.3° |
| C12 | C11 | C10 | C09 | 178.3° | 180.0° |
| C18 | C19 | C10 | C11 | 2.5° | 0.2° |
| C18 | C19 | C10 | H13 | 180.0° | 179.9° |
| C18 | C19 | C10 | C09 | 178.7° | 180.0° |
| C11 | C10 | C19 | C09 | 176.2° | 179.7° |
| C11 | C10 | C09 | C08 | 75.1° | 90.0° |
| C11 | C10 | C09 | H6 | 165.9° | 150.0° |
| C11 | C10 | C09 | H7 | 43.9° | 30.0° |
| C10 | C11 | C12 | H9 | 179.6° | 180.0° |
| C11 | C10 | C19 | H13 | 177.5° | 179.7° |
| C19 | C10 | C09 | C08 | 101.1° | 90.2° |
| C19 | C10 | C09 | H6 | 17.9° | 29.7° |
| C19 | C10 | C09 | H7 | 139.9° | 149.7° |
| C19 | C10 | C11 | H8 | 177.8° | 179.7° |
| C10 | C19 | C18 | H12 | 179.0° | 179.7° |
| O23 | C22 | N24 | C21 | 179.3° | 179.9° |
| O23 | C22 | C21 | N20 | 1.1° | 0.4° |
| O23 | C22 | N24 | C02 | 179.8° | 179.9° |
| O23 | C22 | C21 | C04 | 179.4° | 180.0° |
| O23 | C22 | N24 | H15 | 0.2° | 0.1° |
| C10 | C09 | C08 | H6 | 119.0° | 120.0° |
| C10 | C09 | C08 | H7 | 119.0° | 120.1° |
| C10 | C09 | C08 | S07 | 175.4° | 180.0° |
| C10 | C09 | C08 | H4 | 64.3° | 60.0° |
| C10 | C09 | C08 | H5 | 55.1° | 60.0° |
| C10 | C09 | H6 | H7 | 122.9° | 120.0° |
| C09 | C10 | C11 | H8 | 1.7° | 0.0° |
| C09 | C10 | C19 | H13 | 1.3° | 0.1° |
| N24 | C22 | C21 | N20 | 179.7° | 179.6° |
| C22 | N24 | C02 | H15 | 180.0° | 180.0° |
| N24 | C22 | C21 | C04 | 0.1° | 0.0° |
| C22 | N24 | C02 | N01 | 178.7° | 180.0° |
| C22 | N24 | C02 | N03 | 0.9° | 0.1° |
| C22 | C21 | N20 | C04 | 179.6° | 179.6° |
| C22 | C21 | N20 | C06 | 179.2° | 179.9° |
| C21 | C22 | N24 | C02 | 0.6° | 0.0° |
| C22 | C21 | C04 | N05 | 178.9° | 180.0° |
| C22 | C21 | C04 | N03 | 0.0° | 0.0° |
| C21 | C22 | N24 | H15 | 179.4° | 180.0° |
| C09 | C08 | S07 | H4 | 120.4° | 120.1° |
| C09 | C08 | S07 | H5 | 120.3° | 120.0° |
| C09 | C08 | S07 | C06 | 129.6° | 180.0° |
| C09 | C08 | H4 | H5 | 119.0° | 120.0° |
| C08 | C09 | H6 | H7 | 122.9° | 120.0° |
| C08 | S07 | C06 | N20 | 3.7° | 0.3° |
| C08 | S07 | C06 | N05 | 175.0° | 180.0° |
| S07 | C08 | H4 | H5 | 119.0° | 119.9° |
| S07 | C08 | C09 | H6 | 56.4° | 60.0° |
| S07 | C08 | C09 | H7 | 65.6° | 59.9° |
| C21 | N20 | C06 | S07 | 179.1° | 179.8° |
| C21 | N20 | C06 | N05 | 0.2° | 0.4° |
| N20 | C21 | C04 | N05 | 0.8° | 0.3° |
| N20 | C21 | C04 | N03 | 179.7° | 179.7° |
| C06 | N20 | C21 | C04 | 0.4° | 0.4° |
| N20 | C06 | S07 | N05 | 178.7° | 179.7° |
| N20 | C06 | N05 | C04 | 0.8° | 0.2° |
| N20 | C06 | N05 | H3 | 179.2° | 179.7° |
| N24 | C02 | N01 | N03 | 179.6° | 179.9° |
| N24 | C02 | N03 | C04 | 0.7° | 0.1° |
| N24 | C02 | N01 | H1 | 179.6° | 179.9° |
| N24 | C02 | N01 | H2 | 0.4° | 0.1° |
| C21 | C04 | N05 | C06 | 1.0° | 0.0° |
| C21 | C04 | N03 | C02 | 0.3° | 0.0° |
| C21 | C04 | N05 | N03 | 178.7° | 180.0° |
| C21 | C04 | N05 | H3 | 179.0° | 180.0° |
| S07 | C06 | N05 | C04 | 179.6° | 180.0° |
| S07 | C06 | N05 | H3 | 0.4° | 0.0° |
| C06 | S07 | C08 | H4 | 110.1° | 59.9° |
| C06 | S07 | C08 | H5 | 9.3° | 60.0° |
| C06 | N05 | C04 | H3 | 180.0° | 179.9° |
| C06 | N05 | C04 | N03 | 179.6° | 180.0° |
| N01 | C02 | N03 | C04 | 178.9° | 180.0° |
| C02 | N01 | H1 | H2 | 180.0° | 180.0° |
| N01 | C02 | N24 | H15 | 1.3° | 0.0° |
| C02 | N03 | C04 | N05 | 178.3° | 179.9° |
| N03 | C02 | N01 | H1 | 0.0° | 0.0° |
| N03 | C02 | N01 | H2 | 180.0° | 180.0° |
| N03 | C02 | N24 | H15 | 179.1° | 179.9° |
| N03 | C04 | N05 | H3 | 0.3° | 0.1° |
| H4 | C08 | C09 | H6 | 176.8° | 60.0° |
| H4 | C08 | C09 | H7 | 54.7° | 180.0° |
| H5 | C08 | C09 | H6 | 63.9° | 180.0° |
| H5 | C08 | C09 | H7 | 174.1° | 60.0° |
| H8 | C11 | C12 | H9 | 0.4° | 0.0° |
| H12 | C18 | C19 | H13 | 1.0° | 0.4° |
