9RY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N15 | sing | 1.46Å | 1.46Å | |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| N15 | C12 | sing | 1.35Å | 1.36Å | |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | N14 | sing | 1.35Å | 1.34Å | |
| C12 | O18 | doub | 1.22Å | 1.23Å | |
| N14 | C24 | sing | 1.40Å | 1.40Å | |
| C30 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | N3 | sing | 1.40Å | 1.39Å | |
| N3 | C2 | sing | 1.36Å | 1.34Å | Aromatic |
| N3 | N5 | sing | 1.40Å | 1.41Å | Aromatic |
| O19 | C2 | sing | 1.36Å | 1.34Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| N5 | C8 | doub | 1.31Å | 1.30Å | Aromatic |
| C1 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | C4 | sing | 1.48Å | 1.46Å | |
| N6 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| N6 | C7 | sing | 1.37Å | 1.35Å | Aromatic |
| C4 | C9 | doub | 1.36Å | 1.36Å | Aromatic |
| C7 | N13 | doub | 1.33Å | 1.33Å | Aromatic |
| C7 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| N13 | C20 | sing | 1.32Å | 1.31Å | Aromatic |
| C9 | C10 | sing | 1.46Å | 1.46Å | Aromatic |
| C10 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | N16 | doub | 1.32Å | 1.32Å | Aromatic |
| C21 | N16 | sing | 1.32Å | 1.32Å | Aromatic |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| N6 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N14 | H10 | sing | 0.97Å | 1.00Å | |
| N15 | H11 | sing | 0.97Å | 1.00Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C30 | H17 | sing | 1.08Å | 1.08Å | |
| C31 | H18 | sing | 1.08Å | 1.08Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| O19 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C22 | 119.2° | 120.1° |
| C27 | C26 | C25 | 120.8° | 120.1° |
| C27 | C26 | H5 | 119.6° | 120.0° |
| C26 | C27 | H15 | 120.4° | 119.9° |
| C27 | C22 | C23 | 119.8° | 120.0° |
| C27 | C22 | C17 | 120.6° | 120.1° |
| C22 | C27 | H15 | 120.4° | 119.9° |
| N15 | C23 | C22 | 114.5° | 109.5° |
| C23 | N15 | C12 | 119.7° | 120.0° |
| C23 | N15 | H11 | 120.2° | 120.0° |
| N15 | C23 | H12 | 108.2° | 109.5° |
| N15 | C23 | H13 | 108.2° | 109.5° |
| C23 | C22 | C17 | 119.6° | 120.0° |
| C22 | C23 | H12 | 108.2° | 109.5° |
| C22 | C23 | H13 | 108.2° | 109.5° |
| N15 | C12 | N14 | 117.7° | 120.0° |
| N15 | C12 | O18 | 121.0° | 120.0° |
| C12 | N15 | H11 | 120.1° | 120.0° |
| C26 | C25 | C11 | 119.2° | 119.9° |
| C25 | C26 | H5 | 119.6° | 119.9° |
| C26 | C25 | H14 | 120.4° | 120.1° |
| C30 | C28 | C24 | 120.0° | 119.9° |
| C28 | C30 | C32 | 120.1° | 120.1° |
| C30 | C28 | H6 | 120.0° | 120.1° |
| C28 | C30 | H17 | 120.0° | 120.0° |
| C28 | C24 | N14 | 118.3° | 120.1° |
| C28 | C24 | C29 | 120.0° | 119.9° |
| C24 | C28 | H6 | 120.0° | 120.0° |
| C22 | C17 | C11 | 119.4° | 120.0° |
| C22 | C17 | H2 | 120.3° | 120.0° |
| N14 | C12 | O18 | 121.4° | 120.0° |
| C12 | N14 | C24 | 123.7° | 120.0° |
| C12 | N14 | H10 | 118.2° | 120.0° |
| N14 | C24 | C29 | 121.7° | 120.1° |
| C24 | N14 | H10 | 118.1° | 120.0° |
| C30 | C32 | C31 | 119.8° | 120.1° |
| C32 | C30 | H17 | 120.0° | 119.9° |
| C30 | C32 | H19 | 120.1° | 120.0° |
| C24 | C29 | C31 | 119.6° | 120.0° |
| C24 | C29 | H16 | 120.2° | 120.0° |
| C25 | C11 | C17 | 120.8° | 119.8° |
| C25 | C11 | N3 | 120.3° | 120.1° |
| C11 | C25 | H14 | 120.4° | 120.0° |
| C17 | C11 | N3 | 118.9° | 120.1° |
| C11 | C17 | H2 | 120.3° | 120.0° |
| C32 | C31 | C29 | 120.5° | 120.1° |
| C32 | C31 | H18 | 119.8° | 119.9° |
| C31 | C32 | H19 | 120.1° | 120.0° |
| C31 | C29 | H16 | 120.2° | 120.0° |
| C29 | C31 | H18 | 119.7° | 120.1° |
| C11 | N3 | C2 | 125.8° | 125.9° |
| C11 | N3 | N5 | 126.2° | 125.9° |
| C2 | N3 | N5 | 108.0° | 108.2° |
| N3 | C2 | O19 | 126.2° | 126.4° |
| N3 | C2 | C1 | 107.5° | 107.1° |
| N3 | N5 | C8 | 109.3° | 109.1° |
| O19 | C2 | C1 | 126.3° | 126.5° |
| C2 | O19 | H7 | 109.5° | 114.0° |
| C2 | C1 | C8 | 107.7° | 107.3° |
| C2 | C1 | C4 | 123.0° | 126.3° |
| N5 | C8 | C1 | 107.6° | 108.3° |
| N5 | C8 | H1 | 126.2° | 125.9° |
| C8 | C1 | C4 | 129.3° | 126.4° |
| C1 | C8 | H1 | 126.2° | 125.8° |
| C1 | C4 | N6 | 121.1° | 125.2° |
| C1 | C4 | C9 | 128.9° | 125.2° |
| C4 | N6 | C7 | 110.4° | 109.9° |
| N6 | C4 | C9 | 110.0° | 109.6° |
| C4 | N6 | H8 | 124.8° | 125.0° |
| N6 | C7 | N13 | 133.0° | 134.1° |
| N6 | C7 | C10 | 107.2° | 107.4° |
| C7 | N6 | H8 | 124.8° | 125.0° |
| C4 | C9 | C10 | 105.3° | 106.8° |
| C4 | C9 | H9 | 127.4° | 126.6° |
| N13 | C7 | C10 | 119.8° | 118.5° |
| C7 | N13 | C20 | 120.3° | 120.5° |
| C7 | C10 | C9 | 107.1° | 106.3° |
| C7 | C10 | C21 | 117.4° | 118.7° |
| N13 | C20 | N16 | 121.6° | 122.7° |
| N13 | C20 | H3 | 119.2° | 118.7° |
| C9 | C10 | C21 | 135.4° | 135.0° |
| C10 | C9 | H9 | 127.4° | 126.6° |
| C10 | C21 | N16 | 118.6° | 118.5° |
| C10 | C21 | H4 | 120.7° | 120.8° |
| C20 | N16 | C21 | 122.2° | 121.2° |
| N16 | C20 | H3 | 119.2° | 118.7° |
| N16 | C21 | H4 | 120.7° | 120.8° |
| H12 | C23 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C22 | H15 | 180.0° | 179.2° |
| C26 | C27 | C22 | C23 | 178.7° | 179.5° |
| C27 | C26 | C25 | H5 | 180.0° | 179.5° |
| C26 | C27 | C22 | C17 | 0.2° | 0.5° |
| C27 | C26 | C25 | C11 | 0.5° | 0.5° |
| C27 | C26 | C25 | H14 | 179.5° | 180.0° |
| C27 | C22 | C23 | N15 | 123.3° | 89.9° |
| C27 | C22 | C23 | C17 | 178.5° | 180.0° |
| C22 | C27 | C26 | C25 | 0.1° | 0.8° |
| C27 | C22 | C17 | C11 | 0.1° | 0.0° |
| C27 | C22 | C17 | H2 | 179.9° | 179.7° |
| C22 | C27 | C26 | H5 | 179.9° | 179.8° |
| C27 | C22 | C23 | H12 | 2.6° | 30.1° |
| C27 | C22 | C23 | H13 | 115.9° | 150.0° |
| N15 | C23 | C22 | H12 | 120.8° | 120.0° |
| N15 | C23 | C22 | H13 | 120.7° | 120.0° |
| C23 | N15 | C12 | H11 | 180.0° | 179.9° |
| N15 | C23 | C22 | C17 | 58.2° | 90.1° |
| C23 | N15 | C12 | N14 | 178.3° | 180.0° |
| C23 | N15 | C12 | O18 | 1.6° | 0.1° |
| N15 | C23 | H12 | H13 | 117.7° | 120.0° |
| C22 | C23 | N15 | C12 | 124.6° | 180.0° |
| C23 | C22 | C17 | C11 | 178.6° | 180.0° |
| C23 | C22 | C17 | H2 | 1.5° | 0.3° |
| C22 | C23 | N15 | H11 | 55.4° | 0.1° |
| C22 | C23 | H12 | H13 | 117.7° | 120.0° |
| C23 | C22 | C27 | H15 | 1.3° | 0.3° |
| N15 | C12 | N14 | O18 | 179.9° | 180.0° |
| N15 | C12 | N14 | C24 | 179.7° | 174.7° |
| N15 | C12 | N14 | H10 | 0.3° | 5.3° |
| C12 | N15 | C23 | H12 | 114.6° | 60.0° |
| C12 | N15 | C23 | H13 | 3.9° | 60.0° |
| C26 | C25 | C11 | H14 | 180.0° | 179.5° |
| C26 | C25 | C11 | C17 | 0.6° | 0.0° |
| C26 | C25 | C11 | N3 | 179.5° | 180.0° |
| C25 | C26 | C27 | H15 | 179.9° | 180.0° |
| C30 | C28 | C24 | H6 | 180.0° | 180.0° |
| C30 | C28 | C24 | N14 | 179.7° | 179.8° |
| C28 | C30 | C32 | H17 | 180.0° | 179.9° |
| C30 | C28 | C24 | C29 | 0.0° | 0.0° |
| C28 | C30 | C32 | C31 | 0.1° | 0.1° |
| C28 | C30 | C32 | H19 | 179.9° | 180.0° |
| C28 | C24 | N14 | C12 | 124.6° | 146.9° |
| C28 | C24 | N14 | C29 | 179.7° | 179.8° |
| C24 | C28 | C30 | C32 | 0.1° | 0.1° |
| C28 | C24 | C29 | C31 | 0.1° | 0.0° |
| C28 | C24 | N14 | H10 | 55.4° | 33.0° |
| C28 | C24 | C29 | H16 | 179.9° | 180.0° |
| C24 | C28 | C30 | H17 | 179.9° | 180.0° |
| C22 | C17 | C11 | C25 | 0.3° | 0.3° |
| C22 | C17 | C11 | H2 | 180.0° | 179.7° |
| C22 | C17 | C11 | N3 | 179.8° | 179.7° |
| C17 | C22 | C23 | H12 | 178.9° | 150.0° |
| C17 | C22 | C23 | H13 | 62.5° | 30.0° |
| C17 | C22 | C27 | H15 | 179.8° | 179.7° |
| C12 | N14 | C24 | H10 | 180.0° | 180.0° |
| C12 | N14 | C24 | C29 | 55.7° | 33.3° |
| N14 | C12 | N15 | H11 | 1.7° | 0.0° |
| O18 | C12 | N14 | C24 | 0.2° | 5.3° |
| O18 | C12 | N14 | H10 | 179.8° | 174.6° |
| O18 | C12 | N15 | H11 | 178.4° | 180.0° |
| N14 | C24 | C29 | C31 | 179.7° | 179.8° |
| N14 | C24 | C28 | H6 | 0.4° | 0.2° |
| N14 | C24 | C29 | H16 | 0.3° | 0.3° |
| C30 | C32 | C31 | H19 | 180.0° | 179.9° |
| C30 | C32 | C31 | C29 | 0.1° | 0.1° |
| C32 | C30 | C28 | H6 | 179.9° | 179.9° |
| C30 | C32 | C31 | H18 | 180.0° | 180.0° |
| C24 | C29 | C31 | C32 | 0.0° | 0.1° |
| C24 | C29 | C31 | H16 | 180.0° | 180.0° |
| C29 | C24 | C28 | H6 | 180.0° | 180.0° |
| C29 | C24 | N14 | H10 | 124.3° | 146.7° |
| C24 | C29 | C31 | H18 | 179.9° | 180.0° |
| C25 | C11 | C17 | N3 | 179.9° | 180.0° |
| C25 | C11 | N3 | C2 | 40.6° | 35.0° |
| C25 | C11 | N3 | N5 | 139.2° | 144.6° |
| C25 | C11 | C17 | H2 | 179.6° | 179.9° |
| C11 | C25 | C26 | H5 | 179.5° | 180.0° |
| C17 | C11 | N3 | C2 | 139.3° | 145.0° |
| C17 | C11 | N3 | N5 | 40.9° | 35.3° |
| C17 | C11 | C25 | H14 | 179.4° | 179.5° |
| C32 | C31 | C29 | H18 | 180.0° | 179.9° |
| C32 | C31 | C29 | H16 | 180.0° | 180.0° |
| C31 | C32 | C30 | H17 | 179.9° | 180.0° |
| C29 | C31 | C32 | H19 | 180.0° | 180.0° |
| C11 | N3 | C2 | N5 | 179.8° | 179.7° |
| C11 | N3 | C2 | O19 | 0.5° | 0.3° |
| C11 | N3 | C2 | C1 | 179.8° | 179.7° |
| C11 | N3 | N5 | C8 | 179.8° | 179.7° |
| N3 | C11 | C17 | H2 | 0.2° | 0.0° |
| N3 | C11 | C25 | H14 | 0.5° | 0.6° |
| N3 | C2 | O19 | C1 | 179.3° | 180.0° |
| C2 | N3 | N5 | C8 | 0.4° | 0.0° |
| N3 | C2 | C1 | C8 | 0.4° | 0.0° |
| N3 | C2 | C1 | C4 | 179.2° | 180.0° |
| N3 | C2 | O19 | H7 | 180.0° | 90.1° |
| N5 | N3 | C2 | O19 | 179.4° | 180.0° |
| N5 | N3 | C2 | C1 | 0.0° | 0.0° |
| N3 | N5 | C8 | C1 | 0.6° | 0.0° |
| N3 | N5 | C8 | H1 | 179.4° | 180.0° |
| O19 | C2 | C1 | C8 | 179.7° | 180.0° |
| O19 | C2 | C1 | C4 | 1.5° | 0.0° |
| C2 | C1 | C8 | N5 | 0.6° | 0.0° |
| C2 | C1 | C8 | C4 | 178.7° | 180.0° |
| C2 | C1 | C4 | N6 | 0.4° | 39.7° |
| C2 | C1 | C4 | C9 | 178.5° | 140.0° |
| C2 | C1 | C8 | H1 | 179.4° | 180.0° |
| C1 | C2 | O19 | H7 | 0.8° | 90.0° |
| N5 | C8 | C1 | H1 | 180.0° | 180.0° |
| N5 | C8 | C1 | C4 | 179.3° | 180.0° |
| C8 | C1 | C4 | N6 | 178.9° | 140.3° |
| C8 | C1 | C4 | C9 | 0.1° | 40.0° |
| C1 | C4 | N6 | C9 | 179.1° | 179.8° |
| C1 | C4 | N6 | C7 | 179.5° | 179.7° |
| C1 | C4 | C9 | C10 | 179.3° | 180.0° |
| C4 | C1 | C8 | H1 | 0.7° | 0.1° |
| C1 | C4 | N6 | H8 | 0.5° | 0.2° |
| C1 | C4 | C9 | H9 | 0.7° | 0.0° |
| C4 | N6 | C7 | H8 | 180.0° | 180.0° |
| C4 | N6 | C7 | N13 | 179.2° | 179.8° |
| C4 | N6 | C7 | C10 | 0.4° | 0.3° |
| N6 | C4 | C9 | C10 | 0.4° | 0.2° |
| N6 | C4 | C9 | H9 | 179.7° | 179.8° |
| C7 | N6 | C4 | C9 | 0.5° | 0.0° |
| N6 | C7 | N13 | C10 | 179.5° | 179.5° |
| N6 | C7 | N13 | C20 | 179.7° | 179.4° |
| N6 | C7 | C10 | C9 | 0.2° | 0.4° |
| N6 | C7 | C10 | C21 | 179.7° | 179.6° |
| C4 | C9 | C10 | C7 | 0.1° | 0.4° |
| C4 | C9 | C10 | H9 | 180.0° | 180.0° |
| C4 | C9 | C10 | C21 | 179.3° | 179.6° |
| C9 | C4 | N6 | H8 | 179.5° | 180.0° |
| N13 | C7 | C10 | C9 | 179.5° | 180.0° |
| N13 | C7 | C10 | C21 | 0.0° | 0.0° |
| C7 | N13 | C20 | N16 | 0.3° | 0.0° |
| C7 | N13 | C20 | H3 | 179.8° | 180.0° |
| N13 | C7 | N6 | H8 | 0.8° | 0.3° |
| C10 | C7 | N13 | C20 | 0.1° | 0.0° |
| C7 | C10 | C9 | C21 | 179.4° | 180.0° |
| C7 | C10 | C21 | N16 | 0.4° | 0.0° |
| C7 | C10 | C21 | H4 | 179.5° | 180.0° |
| C10 | C7 | N6 | H8 | 179.6° | 179.8° |
| C7 | C10 | C9 | H9 | 179.9° | 179.6° |
| N13 | C20 | N16 | H3 | 180.0° | 179.9° |
| N13 | C20 | N16 | C21 | 0.8° | 0.0° |
| C9 | C10 | C21 | N16 | 179.8° | 180.0° |
| C9 | C10 | C21 | H4 | 0.2° | 0.0° |
| C10 | C21 | N16 | C20 | 0.9° | 0.0° |
| C10 | C21 | N16 | H4 | 180.0° | 180.0° |
| C21 | C10 | C9 | H9 | 0.7° | 0.4° |
| C20 | N16 | C21 | H4 | 179.1° | 179.9° |
| C21 | N16 | C20 | H3 | 179.2° | 180.0° |
| H5 | C26 | C25 | H14 | 0.5° | 0.5° |
| H5 | C26 | C27 | H15 | 0.1° | 0.5° |
| H6 | C28 | C30 | H17 | 0.1° | 0.0° |
| H11 | N15 | C23 | H12 | 65.4° | 120.0° |
| H11 | N15 | C23 | H13 | 176.1° | 120.0° |
| H16 | C29 | C31 | H18 | 0.1° | 0.1° |
| H17 | C30 | C32 | H19 | 0.1° | 0.1° |
| H18 | C31 | C32 | H19 | 0.0° | 0.1° |
