10Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C24 | trip | 1.14Å | 1.16Å | |
| C10 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C10 | C9 | doub | 1.34Å | 1.42Å | Aromatic |
| S1 | C5 | sing | 1.76Å | 1.71Å | Aromatic |
| C24 | C13 | sing | 1.43Å | 1.45Å | |
| C19 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C12 | sing | 1.48Å | 1.51Å | |
| C9 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C11 | sing | 1.41Å | 1.45Å | Aromatic |
| C15 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C8 | doub | 1.33Å | 1.44Å | Aromatic |
| C5 | C1 | sing | 1.51Å | 1.52Å | |
| C6 | N3 | sing | 1.48Å | 1.46Å | |
| C6 | C1 | sing | 1.55Å | 1.50Å | |
| C23 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C11 | N3 | sing | 1.38Å | 1.40Å | |
| C11 | N6 | doub | 1.32Å | 1.37Å | Aromatic |
| N3 | C7 | sing | 1.47Å | 1.47Å | |
| C16 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C1 | N2 | sing | 1.47Å | 1.48Å | |
| C22 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C14 | sing | 1.43Å | 1.43Å | |
| C2 | C7 | sing | 1.54Å | 1.53Å | |
| C2 | C4 | sing | 1.50Å | 1.55Å | |
| N6 | C20 | sing | 1.32Å | 1.36Å | Aromatic |
| N2 | C3 | sing | 1.38Å | 1.37Å | |
| C14 | N4 | trip | 1.14Å | 1.15Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| C4 | N1 | sing | 1.34Å | 1.40Å | |
| C3 | N1 | sing | 1.39Å | 1.39Å | |
| C3 | N5 | doub | 1.30Å | 1.34Å | |
| N1 | C17 | sing | 1.47Å | 1.49Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| N5 | H8 | sing | 0.97Å | 1.00Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C24 | C13 | 177.0° | 180.0° |
| S1 | C10 | C9 | 111.0° | 109.5° |
| C10 | S1 | C5 | 94.8° | 91.2° |
| S1 | C10 | H7 | 124.5° | 125.2° |
| C10 | C9 | C12 | 125.9° | 122.8° |
| C10 | C9 | C8 | 111.7° | 114.5° |
| C9 | C10 | H7 | 124.5° | 125.3° |
| S1 | C5 | C8 | 108.6° | 109.9° |
| S1 | C5 | C1 | 125.1° | 125.0° |
| C24 | C13 | C15 | 116.5° | 120.6° |
| C24 | C13 | C11 | 124.6° | 120.6° |
| C21 | C19 | C12 | 121.3° | 120.2° |
| C19 | C21 | C23 | 120.5° | 120.2° |
| C21 | C19 | H15 | 119.3° | 119.9° |
| C19 | C21 | H17 | 119.8° | 119.8° |
| C19 | C12 | C9 | 121.7° | 120.1° |
| C19 | C12 | C16 | 117.6° | 119.9° |
| C12 | C19 | H15 | 119.3° | 119.9° |
| C21 | C23 | C18 | 118.5° | 120.1° |
| C23 | C21 | H17 | 119.7° | 119.9° |
| C21 | C23 | H19 | 120.8° | 119.9° |
| C12 | C9 | C8 | 122.4° | 122.7° |
| C9 | C12 | C16 | 120.7° | 120.0° |
| C9 | C8 | C5 | 113.9° | 114.9° |
| C9 | C8 | H6 | 123.1° | 122.6° |
| C12 | C16 | C18 | 121.2° | 119.7° |
| C12 | C16 | H11 | 119.4° | 120.2° |
| C15 | C13 | C11 | 118.8° | 118.8° |
| C13 | C15 | C22 | 120.2° | 118.3° |
| C13 | C15 | H10 | 119.9° | 120.8° |
| C13 | C11 | N3 | 127.2° | 119.8° |
| C13 | C11 | N6 | 119.3° | 120.3° |
| C15 | C22 | C20 | 118.2° | 119.5° |
| C22 | C15 | H10 | 119.9° | 120.9° |
| C15 | C22 | H18 | 120.9° | 120.2° |
| C8 | C5 | C1 | 126.3° | 125.0° |
| C5 | C8 | H6 | 123.0° | 122.5° |
| C5 | C1 | C6 | 112.7° | 112.8° |
| C5 | C1 | C2 | 107.3° | 112.3° |
| C5 | C1 | N2 | 113.9° | 112.1° |
| N3 | C6 | C1 | 104.0° | 105.1° |
| C6 | N3 | C11 | 125.2° | 111.0° |
| C6 | N3 | C7 | 112.9° | 108.6° |
| N3 | C6 | H2 | 110.8° | 110.3° |
| N3 | C6 | H3 | 110.8° | 110.3° |
| C6 | C1 | C2 | 104.3° | 102.2° |
| C6 | C1 | N2 | 107.0° | 108.1° |
| C1 | C6 | H2 | 110.9° | 110.3° |
| C1 | C6 | H3 | 110.8° | 110.3° |
| C23 | C18 | C16 | 120.9° | 119.8° |
| C23 | C18 | C14 | 120.0° | 120.1° |
| C18 | C23 | H19 | 120.8° | 120.0° |
| N3 | C11 | N6 | 113.4° | 119.8° |
| C11 | N3 | C7 | 121.9° | 111.0° |
| C11 | N6 | C20 | 120.8° | 121.8° |
| N3 | C7 | C2 | 103.5° | 107.3° |
| N3 | C7 | H4 | 111.0° | 109.8° |
| N3 | C7 | H5 | 110.9° | 109.9° |
| C16 | C18 | C14 | 119.1° | 120.1° |
| C18 | C16 | H11 | 119.4° | 120.1° |
| C2 | C1 | N2 | 111.2° | 108.9° |
| C1 | C2 | C7 | 105.1° | 103.9° |
| C1 | C2 | C4 | 112.8° | 111.5° |
| C1 | C2 | H1 | 108.3° | 110.2° |
| C1 | N2 | C3 | 123.2° | 117.6° |
| C1 | N2 | H20 | 118.4° | 121.2° |
| C22 | C20 | N6 | 122.6° | 121.2° |
| C22 | C20 | H16 | 118.7° | 119.4° |
| C20 | C22 | H18 | 120.9° | 120.3° |
| C18 | C14 | N4 | 179.1° | 180.0° |
| C7 | C2 | C4 | 113.8° | 110.3° |
| C7 | C2 | H1 | 108.4° | 110.2° |
| C2 | C7 | H4 | 110.9° | 109.9° |
| C2 | C7 | H5 | 111.0° | 109.9° |
| C2 | C4 | O1 | 119.7° | 118.1° |
| C2 | C4 | N1 | 116.8° | 123.8° |
| C4 | C2 | H1 | 108.1° | 110.6° |
| N6 | C20 | H16 | 118.7° | 119.4° |
| N2 | C3 | N1 | 119.5° | 117.4° |
| N2 | C3 | N5 | 119.9° | 121.3° |
| C3 | N2 | H20 | 118.4° | 121.2° |
| O1 | C4 | N1 | 123.5° | 118.1° |
| C4 | N1 | C3 | 123.6° | 120.6° |
| C4 | N1 | C17 | 117.6° | 119.7° |
| N1 | C3 | N5 | 120.6° | 121.3° |
| C3 | N1 | C17 | 118.8° | 119.7° |
| C3 | N5 | H8 | 112.0° | 120.0° |
| N1 | C17 | H12 | 109.5° | 109.5° |
| N1 | C17 | H13 | 109.5° | 109.5° |
| N1 | C17 | H14 | 109.5° | 109.4° |
| H2 | C6 | H3 | 109.5° | 110.4° |
| H4 | C7 | H5 | 109.5° | 109.9° |
| H12 | C17 | H13 | 109.4° | 109.5° |
| H12 | C17 | H14 | 109.5° | 109.4° |
| H13 | C17 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C24 | C13 | C15 | 177.7° | 170.4° |
| N7 | C24 | C13 | C11 | 2.5° | 9.6° |
| S1 | C10 | C9 | H7 | 180.0° | 179.7° |
| S1 | C10 | C9 | C12 | 179.4° | 179.9° |
| S1 | C10 | C9 | C8 | 0.2° | 0.3° |
| C10 | S1 | C5 | C8 | 0.1° | 0.3° |
| C10 | S1 | C5 | C1 | 179.6° | 180.0° |
| C9 | C10 | S1 | C5 | 0.0° | 0.3° |
| C10 | C9 | C12 | C19 | 16.0° | 179.6° |
| C10 | C9 | C12 | C8 | 179.2° | 179.9° |
| C10 | C9 | C12 | C16 | 164.7° | 0.1° |
| C10 | C9 | C8 | C5 | 0.2° | 0.0° |
| C10 | C9 | C8 | H6 | 179.8° | 179.9° |
| S1 | C5 | C8 | C9 | 0.2° | 0.3° |
| S1 | C5 | C8 | C1 | 179.5° | 179.7° |
| S1 | C5 | C1 | C6 | 28.8° | 84.5° |
| S1 | C5 | C1 | C2 | 85.4° | 30.3° |
| S1 | C5 | C1 | N2 | 151.0° | 153.2° |
| S1 | C5 | C8 | H6 | 179.8° | 179.8° |
| C5 | S1 | C10 | H7 | 180.0° | 180.0° |
| C24 | C13 | C15 | C11 | 179.8° | 180.0° |
| C24 | C13 | C15 | C22 | 179.8° | 180.0° |
| C24 | C13 | C11 | N3 | 0.6° | 0.0° |
| C24 | C13 | C11 | N6 | 179.0° | 179.7° |
| C24 | C13 | C15 | H10 | 0.2° | 0.0° |
| C21 | C19 | C12 | H15 | 180.0° | 180.0° |
| C19 | C21 | C23 | H17 | 180.0° | 180.0° |
| C21 | C19 | C12 | C9 | 179.6° | 180.0° |
| C21 | C19 | C12 | C16 | 0.3° | 0.3° |
| C19 | C21 | C23 | C18 | 0.2° | 0.3° |
| C19 | C21 | C23 | H19 | 179.8° | 180.0° |
| C12 | C19 | C21 | C23 | 0.3° | 0.0° |
| C19 | C12 | C9 | C16 | 179.3° | 179.8° |
| C19 | C12 | C9 | C8 | 163.2° | 0.2° |
| C19 | C12 | C16 | C18 | 0.2° | 0.3° |
| C19 | C12 | C16 | H11 | 179.8° | 179.7° |
| C12 | C19 | C21 | H17 | 179.7° | 180.0° |
| C21 | C23 | C18 | H19 | 180.0° | 179.7° |
| C21 | C23 | C18 | C16 | 0.1° | 0.3° |
| C21 | C23 | C18 | C14 | 180.0° | 179.7° |
| C23 | C21 | C19 | H15 | 179.7° | 180.0° |
| C12 | C9 | C8 | C5 | 179.5° | 179.9° |
| C9 | C12 | C16 | C18 | 179.5° | 180.0° |
| C12 | C9 | C8 | H6 | 0.5° | 0.1° |
| C12 | C9 | C10 | H7 | 0.6° | 0.2° |
| C9 | C12 | C16 | H11 | 0.5° | 0.0° |
| C9 | C12 | C19 | H15 | 0.4° | 0.0° |
| C8 | C9 | C12 | C16 | 16.1° | 180.0° |
| C9 | C8 | C5 | H6 | 180.0° | 179.9° |
| C9 | C8 | C5 | C1 | 179.7° | 179.9° |
| C8 | C9 | C10 | H7 | 179.9° | 180.0° |
| C12 | C16 | C18 | C23 | 0.0° | 0.0° |
| C12 | C16 | C18 | H11 | 180.0° | 180.0° |
| C12 | C16 | C18 | C14 | 180.0° | 180.0° |
| C16 | C12 | C19 | H15 | 179.7° | 179.8° |
| C13 | C15 | C22 | H10 | 180.0° | 180.0° |
| C15 | C13 | C11 | N3 | 179.6° | 179.9° |
| C15 | C13 | C11 | N6 | 0.8° | 0.3° |
| C13 | C15 | C22 | C20 | 0.0° | 0.2° |
| C13 | C15 | C22 | H18 | 180.0° | 180.0° |
| C11 | C13 | C15 | C22 | 0.0° | 0.0° |
| C13 | C11 | N3 | C6 | 28.7° | 179.5° |
| C13 | C11 | N3 | N6 | 179.7° | 179.7° |
| C13 | C11 | N3 | C7 | 153.1° | 59.6° |
| C13 | C11 | N6 | C20 | 1.6° | 0.3° |
| C11 | C13 | C15 | H10 | 180.0° | 180.0° |
| C15 | C22 | C20 | H18 | 180.0° | 179.8° |
| C15 | C22 | C20 | N6 | 0.8° | 0.2° |
| C15 | C22 | C20 | H16 | 179.2° | 179.8° |
| C8 | C5 | C1 | C6 | 151.8° | 95.2° |
| C8 | C5 | C1 | C2 | 94.0° | 150.1° |
| C8 | C5 | C1 | N2 | 29.6° | 27.1° |
| C5 | C1 | C6 | N3 | 146.6° | 155.8° |
| C5 | C1 | C6 | C2 | 116.1° | 120.7° |
| C5 | C1 | C6 | N2 | 126.0° | 124.5° |
| C5 | C1 | C2 | N2 | 125.3° | 124.7° |
| C5 | C1 | C2 | C7 | 150.8° | 154.1° |
| C5 | C1 | C2 | C4 | 84.6° | 87.1° |
| C5 | C1 | N2 | C3 | 91.4° | 72.0° |
| C5 | C1 | C2 | H1 | 35.1° | 36.1° |
| C5 | C1 | C6 | H2 | 94.3° | 36.9° |
| C5 | C1 | C6 | H3 | 27.5° | 85.3° |
| C1 | C5 | C8 | H6 | 0.3° | 0.1° |
| C5 | C1 | N2 | H20 | 88.6° | 108.0° |
| N3 | C6 | C1 | H2 | 119.1° | 118.9° |
| N3 | C6 | C1 | H3 | 119.1° | 118.9° |
| C6 | N3 | C11 | C7 | 178.2° | 120.9° |
| C6 | N3 | C11 | N6 | 151.7° | 0.8° |
| N3 | C6 | C1 | C2 | 30.5° | 35.1° |
| N3 | C6 | C1 | N2 | 87.5° | 79.7° |
| C6 | N3 | C7 | C2 | 0.2° | 2.3° |
| N3 | C6 | H2 | H3 | 122.5° | 122.1° |
| C6 | N3 | C7 | H4 | 118.9° | 121.8° |
| C6 | N3 | C7 | H5 | 119.2° | 117.2° |
| C1 | C6 | N3 | C11 | 158.6° | 145.9° |
| C1 | C6 | N3 | C7 | 19.7° | 23.6° |
| C6 | C1 | C2 | N2 | 115.0° | 114.2° |
| C6 | C1 | C2 | C7 | 31.1° | 33.0° |
| C6 | C1 | C2 | C4 | 155.7° | 151.8° |
| C6 | C1 | N2 | C3 | 143.5° | 163.1° |
| C6 | C1 | C2 | H1 | 84.6° | 85.0° |
| C1 | C6 | H2 | H3 | 122.6° | 122.2° |
| C6 | C1 | N2 | H20 | 36.6° | 17.0° |
| C23 | C18 | C16 | C14 | 180.0° | 180.0° |
| C23 | C18 | C14 | N4 | 7.6° | 58.0° |
| C23 | C18 | C16 | H11 | 180.0° | 180.0° |
| C18 | C23 | C21 | H17 | 179.8° | 179.7° |
| C11 | N3 | C7 | C2 | 178.2° | 124.6° |
| N3 | C11 | N6 | C20 | 178.7° | 180.0° |
| C11 | N3 | C6 | H2 | 39.5° | 27.0° |
| C11 | N3 | C6 | H3 | 82.2° | 95.2° |
| C11 | N3 | C7 | H4 | 62.7° | 116.0° |
| C11 | N3 | C7 | H5 | 59.2° | 5.1° |
| N6 | C11 | N3 | C7 | 26.5° | 120.1° |
| C11 | N6 | C20 | C22 | 1.7° | 0.1° |
| C11 | N6 | C20 | H16 | 178.3° | 180.0° |
| N3 | C7 | C2 | C1 | 18.9° | 19.9° |
| N3 | C7 | C2 | H4 | 119.1° | 119.4° |
| N3 | C7 | C2 | H5 | 119.0° | 119.5° |
| N3 | C7 | C2 | C4 | 142.9° | 139.5° |
| N3 | C7 | C2 | H1 | 96.7° | 98.2° |
| C7 | N3 | C6 | H2 | 138.8° | 95.3° |
| C7 | N3 | C6 | H3 | 99.4° | 142.5° |
| N3 | C7 | H4 | H5 | 122.8° | 121.0° |
| C16 | C18 | C14 | N4 | 172.4° | 122.0° |
| C16 | C18 | C23 | H19 | 180.0° | 180.0° |
| C1 | C2 | C7 | C4 | 124.0° | 119.6° |
| C1 | C2 | C7 | H1 | 115.7° | 118.1° |
| C1 | C2 | C4 | H1 | 119.8° | 123.0° |
| C2 | C1 | N2 | C3 | 30.1° | 52.8° |
| C1 | C2 | C4 | O1 | 149.3° | 164.3° |
| C1 | C2 | C4 | N1 | 30.1° | 15.7° |
| C2 | C1 | C6 | H2 | 149.6° | 83.8° |
| C2 | C1 | C6 | H3 | 88.6° | 154.0° |
| C1 | C2 | C7 | H4 | 138.0° | 99.6° |
| C1 | C2 | C7 | H5 | 100.1° | 139.3° |
| C2 | C1 | N2 | H20 | 149.9° | 127.2° |
| N2 | C1 | C2 | C7 | 84.0° | 81.1° |
| N2 | C1 | C2 | C4 | 40.7° | 37.6° |
| C1 | N2 | C3 | H20 | 180.0° | 180.0° |
| C1 | N2 | C3 | N1 | 4.7° | 41.4° |
| C1 | N2 | C3 | N5 | 174.3° | 138.6° |
| N2 | C1 | C2 | H1 | 160.4° | 160.8° |
| N2 | C1 | C6 | H2 | 31.7° | 161.4° |
| N2 | C1 | C6 | H3 | 153.4° | 39.2° |
| C22 | C20 | N6 | H16 | 180.0° | 180.0° |
| C20 | C22 | C15 | H10 | 180.0° | 179.8° |
| C14 | C18 | C16 | H11 | 0.0° | 0.0° |
| C14 | C18 | C23 | H19 | 0.0° | 0.0° |
| C7 | C2 | C4 | H1 | 120.5° | 122.1° |
| C7 | C2 | C4 | O1 | 90.9° | 80.8° |
| C7 | C2 | C4 | N1 | 89.6° | 99.2° |
| C2 | C7 | H4 | H5 | 122.8° | 121.1° |
| C2 | C4 | O1 | N1 | 179.4° | 180.0° |
| C2 | C4 | N1 | C3 | 4.6° | 2.2° |
| C2 | C4 | N1 | C17 | 175.9° | 177.8° |
| C4 | C2 | C7 | H4 | 98.0° | 20.0° |
| C4 | C2 | C7 | H5 | 23.9° | 101.1° |
| N6 | C20 | C22 | H18 | 179.2° | 180.0° |
| N2 | C3 | N1 | C4 | 9.4° | 13.8° |
| N2 | C3 | N1 | N5 | 179.0° | 180.0° |
| N2 | C3 | N1 | C17 | 170.1° | 166.2° |
| N2 | C3 | N5 | H8 | 179.0° | 180.0° |
| O1 | C4 | N1 | C3 | 174.8° | 177.7° |
| O1 | C4 | N1 | C17 | 4.7° | 2.3° |
| O1 | C4 | C2 | H1 | 29.5° | 41.3° |
| C4 | N1 | C3 | C17 | 179.5° | 180.0° |
| C4 | N1 | C3 | N5 | 171.6° | 166.2° |
| N1 | C4 | C2 | H1 | 149.9° | 138.7° |
| C4 | N1 | C17 | H12 | 180.0° | 179.9° |
| C4 | N1 | C17 | H13 | 60.0° | 60.0° |
| C4 | N1 | C17 | H14 | 60.0° | 60.0° |
| N1 | C3 | N5 | H8 | 0.0° | 0.0° |
| C3 | N1 | C17 | H12 | 0.5° | 0.1° |
| C3 | N1 | C17 | H13 | 119.5° | 120.0° |
| C3 | N1 | C17 | H14 | 120.5° | 120.0° |
| N1 | C3 | N2 | H20 | 175.3° | 138.6° |
| N5 | C3 | N1 | C17 | 8.9° | 13.8° |
| N5 | C3 | N2 | H20 | 5.7° | 41.4° |
| N1 | C17 | H12 | H13 | 120.0° | 120.0° |
| N1 | C17 | H12 | H14 | 120.0° | 119.9° |
| N1 | C17 | H13 | H14 | 120.0° | 120.0° |
| H1 | C2 | C7 | H4 | 22.3° | 142.4° |
| H1 | C2 | C7 | H5 | 144.2° | 21.2° |
| H10 | C15 | C22 | H18 | 0.0° | 0.0° |
| H12 | C17 | H13 | H14 | 120.0° | 120.0° |
| H15 | C19 | C21 | H17 | 0.3° | 0.1° |
| H16 | C20 | C22 | H18 | 0.8° | 0.0° |
| H17 | C21 | C23 | H19 | 0.2° | 0.0° |
