6Q0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | O23 | sing | 1.21Å | 1.39Å | Aromatic |
| N19 | C14 | doub | 1.30Å | 1.33Å | Aromatic |
| O23 | C15 | sing | 1.34Å | 1.36Å | Aromatic |
| C16 | C14 | sing | 1.51Å | 1.47Å | |
| C14 | C11 | sing | 1.42Å | 1.42Å | Aromatic |
| C15 | C11 | doub | 1.37Å | 1.38Å | Aromatic |
| C15 | C17 | sing | 1.51Å | 1.48Å | |
| C11 | C10 | sing | 1.49Å | 1.45Å | |
| C10 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C18 | sing | 1.51Å | 1.50Å | |
| C8 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | S24 | sing | 1.76Å | 1.79Å | |
| C18 | N20 | sing | 1.47Å | 1.49Å | |
| N20 | S24 | sing | 1.66Å | 1.73Å | |
| S24 | O21 | doub | 1.42Å | 1.44Å | |
| S24 | O22 | doub | 1.42Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| N20 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | N19 | C14 | 104.9° | 111.9° |
| N19 | O23 | C15 | 110.1° | 111.9° |
| N19 | C14 | C16 | 118.1° | 126.8° |
| N19 | C14 | C11 | 112.3° | 106.3° |
| O23 | C15 | C11 | 109.2° | 106.2° |
| O23 | C15 | C17 | 114.3° | 126.9° |
| C16 | C14 | C11 | 129.5° | 126.9° |
| C14 | C16 | H7 | 109.5° | 109.5° |
| C14 | C16 | H8 | 109.4° | 109.5° |
| C14 | C16 | H9 | 109.4° | 109.5° |
| C14 | C11 | C15 | 103.5° | 103.7° |
| C14 | C11 | C10 | 130.0° | 128.1° |
| C11 | C15 | C17 | 136.5° | 126.9° |
| C15 | C11 | C10 | 126.6° | 128.2° |
| C15 | C17 | H13 | 109.5° | 109.4° |
| C15 | C17 | H14 | 109.5° | 109.5° |
| C15 | C17 | H15 | 109.5° | 109.5° |
| C11 | C10 | C4 | 119.7° | 120.1° |
| C11 | C10 | C5 | 120.4° | 120.1° |
| C4 | C10 | C5 | 119.8° | 119.8° |
| C10 | C4 | C6 | 119.5° | 119.9° |
| C10 | C4 | H10 | 120.3° | 120.1° |
| C10 | C5 | C7 | 119.9° | 119.8° |
| C10 | C5 | H11 | 120.1° | 120.1° |
| C4 | C6 | C12 | 121.2° | 120.1° |
| C6 | C4 | H10 | 120.3° | 120.1° |
| C4 | C6 | H12 | 119.4° | 119.9° |
| C5 | C7 | C12 | 120.5° | 120.2° |
| C5 | C7 | H4 | 119.8° | 119.9° |
| C7 | C5 | H11 | 120.1° | 120.1° |
| C2 | C1 | C3 | 120.2° | 120.0° |
| C1 | C2 | C8 | 120.9° | 120.0° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C1 | C2 | H2 | 119.5° | 120.0° |
| C1 | C3 | C9 | 119.3° | 120.0° |
| C3 | C1 | H1 | 119.9° | 120.0° |
| C1 | C3 | H3 | 120.3° | 120.1° |
| C6 | C12 | C7 | 119.1° | 120.2° |
| C6 | C12 | C18 | 120.5° | 119.9° |
| C12 | C6 | H12 | 119.4° | 120.0° |
| C7 | C12 | C18 | 120.4° | 119.9° |
| C12 | C7 | H4 | 119.8° | 119.9° |
| C2 | C8 | C13 | 118.4° | 120.0° |
| C8 | C2 | H2 | 119.6° | 120.0° |
| C2 | C8 | H5 | 120.8° | 120.0° |
| C3 | C9 | C13 | 120.0° | 120.0° |
| C9 | C3 | H3 | 120.4° | 120.0° |
| C3 | C9 | H6 | 120.0° | 120.0° |
| C12 | C18 | N20 | 113.2° | 109.5° |
| C12 | C18 | H16 | 108.5° | 109.5° |
| C12 | C18 | H17 | 108.5° | 109.5° |
| C8 | C13 | C9 | 121.2° | 120.0° |
| C8 | C13 | S24 | 120.2° | 120.0° |
| C13 | C8 | H5 | 120.8° | 120.0° |
| C9 | C13 | S24 | 118.6° | 120.0° |
| C13 | C9 | H6 | 120.0° | 120.0° |
| C13 | S24 | N20 | 108.6° | 107.3° |
| C13 | S24 | O21 | 105.1° | 106.4° |
| C13 | S24 | O22 | 105.9° | 106.4° |
| C18 | N20 | S24 | 120.8° | 120.0° |
| N20 | C18 | H16 | 108.6° | 109.5° |
| N20 | C18 | H17 | 108.5° | 109.5° |
| C18 | N20 | H18 | 106.6° | 120.0° |
| N20 | S24 | O21 | 109.1° | 106.4° |
| N20 | S24 | O22 | 108.0° | 106.4° |
| S24 | N20 | H18 | 106.6° | 120.0° |
| O21 | S24 | O22 | 119.7° | 123.1° |
| H7 | C16 | H8 | 109.5° | 109.4° |
| H7 | C16 | H9 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.4° |
| H13 | C17 | H15 | 109.4° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | N19 | C14 | C16 | 179.8° | 179.8° |
| O23 | N19 | C14 | C11 | 0.6° | 0.2° |
| N19 | O23 | C15 | C11 | 0.5° | 0.1° |
| N19 | O23 | C15 | C17 | 179.8° | 179.8° |
| C14 | N19 | O23 | C15 | 0.7° | 0.0° |
| N19 | C14 | C16 | C11 | 179.0° | 180.0° |
| N19 | C14 | C11 | C15 | 0.3° | 0.2° |
| N19 | C14 | C11 | C10 | 179.4° | 180.0° |
| N19 | C14 | C16 | H7 | 0.0° | 90.0° |
| N19 | C14 | C16 | H8 | 120.0° | 30.0° |
| N19 | C14 | C16 | H9 | 120.0° | 150.0° |
| O23 | C15 | C11 | C14 | 0.2° | 0.2° |
| O23 | C15 | C11 | C17 | 179.1° | 180.0° |
| O23 | C15 | C11 | C10 | 179.8° | 180.0° |
| O23 | C15 | C17 | H13 | 0.0° | 90.0° |
| O23 | C15 | C17 | H14 | 120.0° | 30.0° |
| O23 | C15 | C17 | H15 | 120.0° | 150.0° |
| C16 | C14 | C11 | C15 | 179.3° | 179.8° |
| C16 | C14 | C11 | C10 | 0.3° | 0.0° |
| C14 | C16 | H7 | H8 | 120.0° | 120.0° |
| C14 | C16 | H7 | H9 | 120.0° | 120.0° |
| C14 | C16 | H8 | H9 | 119.9° | 120.0° |
| C14 | C11 | C15 | C10 | 179.6° | 179.7° |
| C14 | C11 | C15 | C17 | 179.2° | 179.8° |
| C14 | C11 | C10 | C4 | 48.6° | 115.0° |
| C14 | C11 | C10 | C5 | 130.9° | 65.9° |
| C11 | C14 | C16 | H7 | 179.0° | 90.0° |
| C11 | C14 | C16 | H8 | 59.0° | 150.0° |
| C11 | C14 | C16 | H9 | 60.9° | 30.0° |
| C15 | C11 | C10 | C4 | 131.9° | 65.3° |
| C15 | C11 | C10 | C5 | 48.6° | 113.8° |
| C11 | C15 | C17 | H13 | 179.0° | 90.1° |
| C11 | C15 | C17 | H14 | 59.0° | 150.0° |
| C11 | C15 | C17 | H15 | 61.0° | 30.0° |
| C17 | C15 | C11 | C10 | 1.1° | 0.0° |
| C15 | C17 | H13 | H14 | 120.0° | 120.0° |
| C15 | C17 | H13 | H15 | 120.0° | 120.0° |
| C15 | C17 | H14 | H15 | 120.0° | 120.0° |
| C11 | C10 | C4 | C5 | 179.5° | 179.1° |
| C11 | C10 | C4 | C6 | 179.4° | 179.9° |
| C11 | C10 | C5 | C7 | 179.6° | 179.7° |
| C11 | C10 | C4 | H10 | 0.6° | 0.9° |
| C11 | C10 | C5 | H11 | 0.4° | 0.4° |
| C10 | C4 | C6 | H10 | 180.0° | 179.2° |
| C4 | C10 | C5 | C7 | 0.9° | 0.6° |
| C10 | C4 | C6 | C12 | 1.4° | 0.5° |
| C4 | C10 | C5 | H11 | 179.1° | 179.5° |
| C10 | C4 | C6 | H12 | 178.6° | 180.0° |
| C5 | C10 | C4 | C6 | 0.1° | 0.9° |
| C10 | C5 | C7 | H11 | 180.0° | 179.9° |
| C10 | C5 | C7 | C12 | 0.6° | 0.0° |
| C10 | C5 | C7 | H4 | 179.3° | 179.7° |
| C5 | C10 | C4 | H10 | 179.9° | 180.0° |
| C4 | C6 | C12 | H12 | 180.0° | 179.5° |
| C4 | C6 | C12 | C7 | 1.7° | 0.1° |
| C4 | C6 | C12 | C18 | 177.9° | 180.0° |
| C5 | C7 | C12 | C6 | 0.6° | 0.3° |
| C5 | C7 | C12 | H4 | 180.0° | 179.7° |
| C5 | C7 | C12 | C18 | 178.9° | 179.7° |
| C2 | C1 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C8 | H2 | 180.0° | 180.0° |
| C2 | C1 | C3 | C9 | 1.0° | 0.1° |
| C1 | C2 | C8 | C13 | 0.5° | 0.0° |
| C2 | C1 | C3 | H3 | 179.0° | 179.9° |
| C1 | C2 | C8 | H5 | 179.5° | 180.0° |
| C3 | C1 | C2 | C8 | 0.5° | 0.0° |
| C1 | C3 | C9 | H3 | 180.0° | 179.9° |
| C1 | C3 | C9 | C13 | 0.4° | 0.1° |
| C3 | C1 | C2 | H2 | 179.5° | 180.0° |
| C1 | C3 | C9 | H6 | 179.6° | 180.0° |
| C6 | C12 | C7 | C18 | 179.6° | 180.0° |
| C6 | C12 | C18 | N20 | 43.1° | 90.0° |
| C6 | C12 | C7 | H4 | 179.4° | 180.0° |
| C12 | C6 | C4 | H10 | 178.6° | 179.7° |
| C6 | C12 | C18 | H16 | 77.4° | 30.0° |
| C6 | C12 | C18 | H17 | 163.6° | 149.9° |
| C7 | C12 | C18 | N20 | 136.5° | 90.0° |
| C12 | C7 | C5 | H11 | 179.4° | 179.9° |
| C7 | C12 | C6 | H12 | 178.3° | 179.5° |
| C7 | C12 | C18 | H16 | 103.0° | 150.0° |
| C7 | C12 | C18 | H17 | 15.9° | 30.0° |
| C2 | C8 | C13 | H5 | 180.0° | 180.0° |
| C2 | C8 | C13 | C9 | 1.1° | 0.1° |
| C2 | C8 | C13 | S24 | 179.6° | 180.0° |
| C8 | C2 | C1 | H1 | 179.5° | 179.7° |
| C3 | C9 | C13 | C8 | 0.6° | 0.1° |
| C3 | C9 | C13 | H6 | 180.0° | 179.9° |
| C3 | C9 | C13 | S24 | 180.0° | 180.0° |
| C9 | C3 | C1 | H1 | 179.0° | 179.8° |
| C12 | C18 | N20 | H16 | 120.5° | 120.0° |
| C12 | C18 | N20 | H17 | 120.5° | 120.1° |
| C12 | C18 | N20 | S24 | 68.0° | 165.0° |
| C18 | C12 | C7 | H4 | 1.0° | 0.0° |
| C18 | C12 | C6 | H12 | 2.1° | 0.5° |
| C12 | C18 | H16 | H17 | 118.3° | 120.0° |
| C12 | C18 | N20 | H18 | 53.6° | 15.0° |
| C8 | C13 | C9 | S24 | 179.3° | 179.9° |
| C8 | C13 | S24 | N20 | 76.8° | 90.0° |
| C8 | C13 | S24 | O21 | 166.6° | 156.4° |
| C8 | C13 | S24 | O22 | 38.9° | 23.6° |
| C13 | C8 | C2 | H2 | 179.5° | 180.0° |
| C8 | C13 | C9 | H6 | 179.3° | 180.0° |
| C9 | C13 | S24 | N20 | 103.9° | 90.1° |
| C9 | C13 | S24 | O21 | 12.7° | 23.5° |
| C9 | C13 | S24 | O22 | 140.4° | 156.3° |
| C13 | C9 | C3 | H3 | 179.6° | 180.0° |
| C9 | C13 | C8 | H5 | 178.9° | 179.9° |
| C13 | S24 | N20 | C18 | 66.3° | 65.0° |
| C13 | S24 | N20 | O21 | 114.0° | 113.5° |
| C13 | S24 | N20 | O22 | 114.4° | 113.5° |
| C13 | S24 | O21 | O22 | 118.7° | 122.9° |
| S24 | C13 | C8 | H5 | 0.4° | 0.0° |
| S24 | C13 | C9 | H6 | 0.0° | 0.1° |
| C13 | S24 | N20 | H18 | 55.3° | 115.0° |
| C18 | N20 | S24 | H18 | 121.6° | 180.0° |
| C18 | N20 | S24 | O21 | 47.7° | 48.5° |
| C18 | N20 | S24 | O22 | 179.3° | 178.5° |
| N20 | C18 | H16 | H17 | 118.3° | 120.0° |
| N20 | S24 | O21 | O22 | 125.1° | 123.0° |
| S24 | N20 | C18 | H16 | 171.4° | 45.0° |
| S24 | N20 | C18 | H17 | 52.5° | 74.9° |
| O21 | S24 | N20 | H18 | 169.2° | 131.4° |
| O22 | S24 | N20 | H18 | 59.1° | 1.5° |
| H1 | C1 | C2 | H2 | 0.5° | 0.2° |
| H1 | C1 | C3 | H3 | 1.0° | 0.3° |
| H2 | C2 | C8 | H5 | 0.5° | 0.1° |
| H3 | C3 | C9 | H6 | 0.4° | 0.1° |
| H4 | C7 | C5 | H11 | 0.7° | 0.2° |
| H7 | C16 | H8 | H9 | 120.0° | 120.0° |
| H10 | C4 | C6 | H12 | 1.4° | 0.8° |
| H13 | C17 | H14 | H15 | 120.0° | 120.0° |
| H16 | C18 | N20 | H18 | 67.0° | 135.0° |
| H17 | C18 | N20 | H18 | 174.1° | 105.1° |
