9RV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C19 | sing | 1.51Å | 1.51Å | |
| C21 | N14 | sing | 1.47Å | 1.47Å | |
| C24 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| N14 | C12 | sing | 1.35Å | 1.35Å | |
| O17 | C12 | doub | 1.21Å | 1.22Å | |
| C12 | C25 | sing | 1.51Å | 1.51Å | |
| C22 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C9 | N3 | sing | 1.40Å | 1.40Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| N3 | C2 | sing | 1.36Å | 1.35Å | Aromatic |
| N3 | N5 | sing | 1.40Å | 1.41Å | Aromatic |
| O15 | C2 | sing | 1.36Å | 1.35Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| N5 | C7 | doub | 1.31Å | 1.31Å | Aromatic |
| C1 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C1 | C4 | sing | 1.48Å | 1.47Å | |
| N6 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| N6 | C11 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | C8 | doub | 1.36Å | 1.36Å | Aromatic |
| C11 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C18 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C10 | sing | 1.46Å | 1.46Å | Aromatic |
| C10 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | N16 | doub | 1.32Å | 1.32Å | Aromatic |
| C20 | N16 | sing | 1.32Å | 1.32Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| N6 | H13 | sing | 0.97Å | 1.00Å | |
| N14 | H14 | sing | 0.97Å | 1.00Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| O15 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C26 | C19 | 120.7° | 120.1° |
| C26 | C24 | C22 | 119.9° | 120.0° |
| C26 | C24 | H8 | 120.1° | 120.0° |
| C24 | C26 | H9 | 119.6° | 120.0° |
| C26 | C19 | C21 | 119.0° | 120.0° |
| C26 | C19 | C13 | 119.7° | 120.1° |
| C19 | C26 | H9 | 119.6° | 119.9° |
| C19 | C21 | N14 | 111.7° | 109.5° |
| C21 | C19 | C13 | 121.3° | 120.0° |
| C19 | C21 | H5 | 108.9° | 109.5° |
| C19 | C21 | H6 | 108.9° | 109.5° |
| C21 | N14 | C12 | 120.0° | 120.0° |
| N14 | C21 | H5 | 108.9° | 109.4° |
| N14 | C21 | H6 | 108.9° | 109.4° |
| C21 | N14 | H14 | 120.0° | 119.9° |
| C24 | C22 | C9 | 119.8° | 120.0° |
| C24 | C22 | H7 | 120.1° | 120.0° |
| C22 | C24 | H8 | 120.1° | 120.0° |
| C19 | C13 | C9 | 119.4° | 119.9° |
| C19 | C13 | H3 | 120.3° | 120.0° |
| N14 | C12 | O17 | 119.9° | 120.0° |
| N14 | C12 | C25 | 119.6° | 120.0° |
| C12 | N14 | H14 | 120.0° | 120.0° |
| O17 | C12 | C25 | 120.5° | 120.0° |
| C12 | C25 | C27 | 110.2° | 109.5° |
| C12 | C25 | H17 | 109.3° | 109.5° |
| C12 | C25 | H18 | 109.3° | 109.5° |
| C22 | C9 | C13 | 120.5° | 119.8° |
| C22 | C9 | N3 | 120.0° | 120.1° |
| C9 | C22 | H7 | 120.1° | 120.0° |
| C13 | C9 | N3 | 119.5° | 120.1° |
| C9 | C13 | H3 | 120.3° | 120.1° |
| C25 | C27 | C28 | 110.2° | 109.5° |
| C27 | C25 | H17 | 109.3° | 109.5° |
| C27 | C25 | H18 | 109.3° | 109.5° |
| C25 | C27 | H19 | 109.3° | 109.5° |
| C25 | C27 | H20 | 109.3° | 109.5° |
| C9 | N3 | C2 | 125.7° | 125.9° |
| C9 | N3 | N5 | 126.4° | 126.0° |
| C27 | C28 | C29 | 109.6° | 109.5° |
| C27 | C28 | H10 | 109.4° | 109.5° |
| C27 | C28 | H11 | 109.4° | 109.5° |
| C28 | C27 | H19 | 109.3° | 109.5° |
| C28 | C27 | H20 | 109.3° | 109.5° |
| C2 | N3 | N5 | 107.9° | 108.2° |
| N3 | C2 | O15 | 127.0° | 126.4° |
| N3 | C2 | C1 | 107.7° | 107.1° |
| N3 | N5 | C7 | 109.1° | 109.0° |
| O15 | C2 | C1 | 125.3° | 126.5° |
| C2 | O15 | H12 | 109.5° | 114.0° |
| C29 | C28 | H10 | 109.5° | 109.4° |
| C29 | C28 | H11 | 109.4° | 109.5° |
| C28 | C29 | H21 | 109.5° | 109.4° |
| C28 | C29 | H22 | 109.5° | 109.5° |
| C28 | C29 | H23 | 109.5° | 109.5° |
| C2 | C1 | C7 | 107.2° | 107.3° |
| C2 | C1 | C4 | 124.1° | 126.3° |
| N5 | C7 | C1 | 108.1° | 108.4° |
| N5 | C7 | H1 | 126.0° | 125.8° |
| C7 | C1 | C4 | 128.6° | 126.3° |
| C1 | C7 | H1 | 125.9° | 125.9° |
| C1 | C4 | N6 | 123.1° | 125.2° |
| C1 | C4 | C8 | 127.2° | 125.2° |
| C4 | N6 | C11 | 110.2° | 109.9° |
| N6 | C4 | C8 | 109.7° | 109.6° |
| C4 | N6 | H13 | 124.9° | 125.1° |
| N6 | C11 | C18 | 134.0° | 134.4° |
| N6 | C11 | C10 | 107.3° | 107.5° |
| C11 | N6 | H13 | 124.9° | 125.1° |
| C4 | C8 | C10 | 106.4° | 106.9° |
| C4 | C8 | H2 | 126.8° | 126.6° |
| C18 | C11 | C10 | 118.7° | 118.1° |
| C11 | C18 | C23 | 118.8° | 118.9° |
| C11 | C18 | H15 | 120.6° | 120.5° |
| C11 | C10 | C8 | 106.5° | 106.2° |
| C11 | C10 | C20 | 118.5° | 119.1° |
| C18 | C23 | N16 | 121.1° | 121.5° |
| C23 | C18 | H15 | 120.6° | 120.6° |
| C18 | C23 | H16 | 119.4° | 119.2° |
| C8 | C10 | C20 | 135.0° | 134.7° |
| C10 | C8 | H2 | 126.8° | 126.5° |
| C10 | C20 | N16 | 120.2° | 120.1° |
| C10 | C20 | H4 | 119.9° | 120.0° |
| C23 | N16 | C20 | 122.7° | 122.2° |
| N16 | C23 | H16 | 119.4° | 119.3° |
| N16 | C20 | H4 | 119.8° | 119.9° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.4° |
| H19 | C27 | H20 | 109.5° | 109.4° |
| H21 | C29 | H22 | 109.5° | 109.6° |
| H21 | C29 | H23 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C26 | C19 | H9 | 180.0° | 179.2° |
| C24 | C26 | C19 | C21 | 179.9° | 179.4° |
| C26 | C24 | C22 | H8 | 180.0° | 179.4° |
| C24 | C26 | C19 | C13 | 0.5° | 0.6° |
| C26 | C24 | C22 | C9 | 0.8° | 0.6° |
| C26 | C24 | C22 | H7 | 179.2° | 179.4° |
| C26 | C19 | C21 | C13 | 179.3° | 180.0° |
| C26 | C19 | C21 | N14 | 171.9° | 90.0° |
| C19 | C26 | C24 | C22 | 0.6° | 0.8° |
| C26 | C19 | C13 | C9 | 0.7° | 0.1° |
| C26 | C19 | C13 | H3 | 179.3° | 179.8° |
| C26 | C19 | C21 | H5 | 51.5° | 30.0° |
| C26 | C19 | C21 | H6 | 67.8° | 150.0° |
| C19 | C26 | C24 | H8 | 179.5° | 179.7° |
| C19 | C21 | N14 | H5 | 120.3° | 120.0° |
| C19 | C21 | N14 | H6 | 120.3° | 120.0° |
| C19 | C21 | N14 | C12 | 80.2° | 180.0° |
| C21 | C19 | C13 | C9 | 180.0° | 180.0° |
| C21 | C19 | C13 | H3 | 0.0° | 0.2° |
| C19 | C21 | H5 | H6 | 119.0° | 120.0° |
| C21 | C19 | C26 | H9 | 0.1° | 0.3° |
| C19 | C21 | N14 | H14 | 99.8° | 0.0° |
| N14 | C21 | C19 | C13 | 8.8° | 90.0° |
| C21 | N14 | C12 | H14 | 180.0° | 180.0° |
| C21 | N14 | C12 | O17 | 0.3° | 0.0° |
| C21 | N14 | C12 | C25 | 179.7° | 180.0° |
| N14 | C21 | H5 | H6 | 119.0° | 120.0° |
| C24 | C22 | C9 | H7 | 180.0° | 180.0° |
| C24 | C22 | C9 | C13 | 0.9° | 0.0° |
| C24 | C22 | C9 | N3 | 179.9° | 179.9° |
| C22 | C24 | C26 | H9 | 179.4° | 180.0° |
| C19 | C13 | C9 | C22 | 0.9° | 0.2° |
| C19 | C13 | C9 | H3 | 180.0° | 179.8° |
| C19 | C13 | C9 | N3 | 179.9° | 179.8° |
| C13 | C19 | C21 | H5 | 129.2° | 150.0° |
| C13 | C19 | C21 | H6 | 111.5° | 30.0° |
| C13 | C19 | C26 | H9 | 179.5° | 179.8° |
| N14 | C12 | O17 | C25 | 180.0° | 180.0° |
| N14 | C12 | C25 | C27 | 126.2° | 180.0° |
| C12 | N14 | C21 | H5 | 40.2° | 60.0° |
| C12 | N14 | C21 | H6 | 159.5° | 60.0° |
| N14 | C12 | C25 | H17 | 113.7° | 60.0° |
| N14 | C12 | C25 | H18 | 6.1° | 60.0° |
| O17 | C12 | C25 | C27 | 53.8° | 0.0° |
| O17 | C12 | N14 | H14 | 179.7° | 180.0° |
| O17 | C12 | C25 | H17 | 66.3° | 120.0° |
| O17 | C12 | C25 | H18 | 173.9° | 120.0° |
| C12 | C25 | C27 | H17 | 120.1° | 120.1° |
| C12 | C25 | C27 | H18 | 120.1° | 120.0° |
| C12 | C25 | C27 | C28 | 90.2° | 180.0° |
| C25 | C12 | N14 | H14 | 0.3° | 0.0° |
| C12 | C25 | H17 | H18 | 119.7° | 120.0° |
| C12 | C25 | C27 | H19 | 29.9° | 60.0° |
| C12 | C25 | C27 | H20 | 149.6° | 59.9° |
| C22 | C9 | C13 | N3 | 179.2° | 180.0° |
| C22 | C9 | N3 | C2 | 45.4° | 35.1° |
| C22 | C9 | N3 | N5 | 137.1° | 144.7° |
| C22 | C9 | C13 | H3 | 179.1° | 180.0° |
| C9 | C22 | C24 | H8 | 179.3° | 180.0° |
| C13 | C9 | N3 | C2 | 133.7° | 145.0° |
| C13 | C9 | N3 | N5 | 43.7° | 35.3° |
| C13 | C9 | C22 | H7 | 179.0° | 179.9° |
| C25 | C27 | C28 | H19 | 120.1° | 120.0° |
| C25 | C27 | C28 | H20 | 120.1° | 120.1° |
| C25 | C27 | C28 | C29 | 79.4° | 180.0° |
| C25 | C27 | C28 | H10 | 40.6° | 60.0° |
| C25 | C27 | C28 | H11 | 160.6° | 60.0° |
| C27 | C25 | H17 | H18 | 119.7° | 120.0° |
| C25 | C27 | H19 | H20 | 119.6° | 120.0° |
| C9 | N3 | C2 | N5 | 177.9° | 179.8° |
| C9 | N3 | C2 | O15 | 2.8° | 0.3° |
| C9 | N3 | C2 | C1 | 177.3° | 179.8° |
| C9 | N3 | N5 | C7 | 176.8° | 179.8° |
| N3 | C9 | C13 | H3 | 0.1° | 0.0° |
| N3 | C9 | C22 | H7 | 0.1° | 0.1° |
| C27 | C28 | C29 | H10 | 120.0° | 120.0° |
| C27 | C28 | C29 | H11 | 120.0° | 120.0° |
| C27 | C28 | H10 | H11 | 119.9° | 120.0° |
| C28 | C27 | C25 | H17 | 149.7° | 59.9° |
| C28 | C27 | C25 | H18 | 29.8° | 60.0° |
| C28 | C27 | H19 | H20 | 119.7° | 120.0° |
| C27 | C28 | C29 | H21 | 180.0° | 60.0° |
| C27 | C28 | C29 | H22 | 60.0° | 60.0° |
| C27 | C28 | C29 | H23 | 60.0° | 180.0° |
| N3 | C2 | O15 | C1 | 179.9° | 179.9° |
| C2 | N3 | N5 | C7 | 1.0° | 0.0° |
| N3 | C2 | C1 | C7 | 0.0° | 0.0° |
| N3 | C2 | C1 | C4 | 178.1° | 180.0° |
| N3 | C2 | O15 | H12 | 180.0° | 90.1° |
| N5 | N3 | C2 | O15 | 179.3° | 179.9° |
| N5 | N3 | C2 | C1 | 0.6° | 0.0° |
| N3 | N5 | C7 | C1 | 1.0° | 0.1° |
| N3 | N5 | C7 | H1 | 179.0° | 180.0° |
| O15 | C2 | C1 | C7 | 179.9° | 179.9° |
| O15 | C2 | C1 | C4 | 2.0° | 0.1° |
| C29 | C28 | H10 | H11 | 120.0° | 120.0° |
| C29 | C28 | C27 | H19 | 160.5° | 60.0° |
| C29 | C28 | C27 | H20 | 40.7° | 60.0° |
| C28 | C29 | H21 | H22 | 120.0° | 120.0° |
| C28 | C29 | H21 | H23 | 120.0° | 120.0° |
| C28 | C29 | H22 | H23 | 120.0° | 120.0° |
| C2 | C1 | C7 | N5 | 0.6° | 0.0° |
| C2 | C1 | C7 | C4 | 178.0° | 179.9° |
| C2 | C1 | C4 | N6 | 3.5° | 140.2° |
| C2 | C1 | C4 | C8 | 174.2° | 40.1° |
| C2 | C1 | C7 | H1 | 179.3° | 180.0° |
| C1 | C2 | O15 | H12 | 0.1° | 90.0° |
| N5 | C7 | C1 | H1 | 180.0° | 180.0° |
| N5 | C7 | C1 | C4 | 178.6° | 180.0° |
| C7 | C1 | C4 | N6 | 178.8° | 39.7° |
| C7 | C1 | C4 | C8 | 3.5° | 140.0° |
| C1 | C4 | N6 | C8 | 178.1° | 179.7° |
| C1 | C4 | N6 | C11 | 178.8° | 179.9° |
| C1 | C4 | C8 | C10 | 178.9° | 180.0° |
| C4 | C1 | C7 | H1 | 1.3° | 0.1° |
| C1 | C4 | C8 | H2 | 1.1° | 0.0° |
| C1 | C4 | N6 | H13 | 1.2° | 0.3° |
| C4 | N6 | C11 | H13 | 180.0° | 179.6° |
| C4 | N6 | C11 | C18 | 179.1° | 180.0° |
| C4 | N6 | C11 | C10 | 0.2° | 0.4° |
| N6 | C4 | C8 | C10 | 0.9° | 0.3° |
| N6 | C4 | C8 | H2 | 179.1° | 179.7° |
| C11 | N6 | C4 | C8 | 0.7° | 0.4° |
| N6 | C11 | C18 | C10 | 179.2° | 179.6° |
| N6 | C11 | C18 | C23 | 180.0° | 179.7° |
| N6 | C11 | C10 | C8 | 0.4° | 0.2° |
| N6 | C11 | C10 | C20 | 180.0° | 179.7° |
| N6 | C11 | C18 | H15 | 0.0° | 0.0° |
| C4 | C8 | C10 | C11 | 0.8° | 0.0° |
| C4 | C8 | C10 | H2 | 180.0° | 180.0° |
| C4 | C8 | C10 | C20 | 179.6° | 180.0° |
| C8 | C4 | N6 | H13 | 179.3° | 180.0° |
| C11 | C18 | C23 | H15 | 180.0° | 179.7° |
| C18 | C11 | C10 | C8 | 179.8° | 179.9° |
| C18 | C11 | C10 | C20 | 0.6° | 0.0° |
| C11 | C18 | C23 | N16 | 0.3° | 0.1° |
| C18 | C11 | N6 | H13 | 0.9° | 0.4° |
| C11 | C18 | C23 | H16 | 179.7° | 180.0° |
| C10 | C11 | C18 | C23 | 0.8° | 0.1° |
| C11 | C10 | C8 | C20 | 179.6° | 180.0° |
| C11 | C10 | C20 | N16 | 0.1° | 0.0° |
| C11 | C10 | C8 | H2 | 179.2° | 180.0° |
| C11 | C10 | C20 | H4 | 179.8° | 180.0° |
| C10 | C11 | N6 | H13 | 179.8° | 180.0° |
| C10 | C11 | C18 | H15 | 179.3° | 179.6° |
| C18 | C23 | N16 | H16 | 180.0° | 179.8° |
| C18 | C23 | N16 | C20 | 0.5° | 0.1° |
| C8 | C10 | C20 | N16 | 179.4° | 179.9° |
| C8 | C10 | C20 | H4 | 0.6° | 0.1° |
| C10 | C20 | N16 | C23 | 0.7° | 0.0° |
| C10 | C20 | N16 | H4 | 180.0° | 180.0° |
| C20 | C10 | C8 | H2 | 0.4° | 0.0° |
| C23 | N16 | C20 | H4 | 179.3° | 180.0° |
| N16 | C23 | C18 | H15 | 179.8° | 179.6° |
| C20 | N16 | C23 | H16 | 179.5° | 179.9° |
| H5 | C21 | N14 | H14 | 139.8° | 120.0° |
| H6 | C21 | N14 | H14 | 20.5° | 120.0° |
| H7 | C22 | C24 | H8 | 0.8° | 0.0° |
| H8 | C24 | C26 | H9 | 0.5° | 0.6° |
| H10 | C28 | C27 | H19 | 79.5° | 60.0° |
| H10 | C28 | C27 | H20 | 160.7° | 179.9° |
| H10 | C28 | C29 | H21 | 60.0° | 180.0° |
| H10 | C28 | C29 | H22 | 180.0° | 59.9° |
| H10 | C28 | C29 | H23 | 60.0° | 60.0° |
| H11 | C28 | C27 | H19 | 40.5° | 180.0° |
| H11 | C28 | C27 | H20 | 79.3° | 60.0° |
| H11 | C28 | C29 | H21 | 60.0° | 60.0° |
| H11 | C28 | C29 | H22 | 60.0° | 180.0° |
| H11 | C28 | C29 | H23 | 180.0° | 60.0° |
| H15 | C18 | C23 | H16 | 0.3° | 0.3° |
| H17 | C25 | C27 | H19 | 90.2° | 60.1° |
| H17 | C25 | C27 | H20 | 29.5° | NaN° |
| H18 | C25 | C27 | H19 | 150.0° | 180.0° |
| H18 | C25 | C27 | H20 | 90.3° | 60.1° |
| H21 | C29 | H22 | H23 | 120.0° | 120.0° |
