1RC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C7 | sing | 1.47Å | 1.48Å | |
| N1 | C8 | sing | 1.47Å | 1.51Å | |
| N1 | C9 | sing | 1.35Å | 1.43Å | |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C1 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C8 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C16 | sing | 1.51Å | 1.55Å | |
| C10 | C15 | doub | 1.40Å | 1.43Å | Aromatic |
| C10 | C9 | sing | 1.47Å | 1.49Å | |
| C10 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | O2 | sing | 1.36Å | 1.38Å | |
| C15 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | O1 | sing | 1.36Å | 1.37Å | |
| C17 | N2 | sing | 1.47Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | doub | 1.38Å | 1.43Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | O3 | doub | 1.22Å | 1.23Å | |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | CL1 | sing | 1.74Å | 1.71Å | |
| C16 | N2 | sing | 1.35Å | 1.39Å | |
| C16 | O4 | doub | 1.21Å | 1.23Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N1 | C8 | 111.6° | 106.8° |
| C7 | N1 | C9 | 119.6° | 126.6° |
| N1 | C7 | C6 | 104.2° | 107.7° |
| N1 | C7 | H7 | 111.3° | 109.8° |
| N1 | C7 | H7A | 111.2° | 109.8° |
| C8 | N1 | C9 | 128.7° | 126.6° |
| N1 | C8 | C5 | 103.0° | 107.7° |
| N1 | C8 | C16 | 113.3° | 109.8° |
| N1 | C8 | H8 | 110.5° | 109.8° |
| N1 | C9 | C10 | 117.5° | 120.0° |
| N1 | C9 | O3 | 125.0° | 120.0° |
| C5 | C4 | C1 | 118.4° | 120.1° |
| C4 | C5 | C6 | 121.0° | 120.0° |
| C4 | C5 | C8 | 128.7° | 131.2° |
| C5 | C4 | H4 | 120.8° | 120.0° |
| C4 | C1 | C2 | 120.3° | 120.0° |
| C1 | C4 | H4 | 120.8° | 119.9° |
| C4 | C1 | H1 | 119.8° | 120.0° |
| C6 | C5 | C8 | 110.3° | 108.9° |
| C5 | C6 | C7 | 110.7° | 108.9° |
| C5 | C6 | C3 | 120.9° | 119.9° |
| C5 | C8 | C16 | 107.1° | 109.8° |
| C5 | C8 | H8 | 116.3° | 109.8° |
| C7 | C6 | C3 | 128.4° | 131.2° |
| C6 | C7 | H7 | 111.3° | 109.8° |
| C6 | C7 | H7A | 111.3° | 109.8° |
| C6 | C3 | C2 | 118.5° | 120.1° |
| C6 | C3 | H3 | 120.7° | 120.0° |
| C8 | C16 | N2 | 114.8° | 119.9° |
| C8 | C16 | O4 | 121.2° | 120.0° |
| C16 | C8 | H8 | 106.7° | 109.9° |
| C15 | C10 | C9 | 119.7° | 120.1° |
| C15 | C10 | C11 | 120.2° | 119.7° |
| C10 | C15 | C14 | 120.1° | 119.8° |
| C10 | C15 | O1 | 119.9° | 120.1° |
| C9 | C10 | C11 | 120.1° | 120.1° |
| C10 | C9 | O3 | 117.4° | 120.0° |
| C10 | C11 | C12 | 119.5° | 119.9° |
| C10 | C11 | H11 | 120.3° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.2° |
| C12 | C13 | O2 | 119.9° | 119.9° |
| C13 | C12 | C11 | 120.5° | 120.3° |
| C13 | C12 | CL1 | 121.4° | 119.9° |
| C14 | C13 | O2 | 119.9° | 119.9° |
| C13 | C14 | C15 | 119.5° | 120.1° |
| C13 | C14 | H14 | 120.3° | 120.0° |
| C13 | O2 | HO2 | 109.5° | 114.0° |
| C14 | C15 | O1 | 119.9° | 120.1° |
| C15 | C14 | H14 | 120.3° | 119.9° |
| C15 | O1 | HO1 | 109.5° | 114.1° |
| N2 | C17 | C18 | 113.5° | 109.5° |
| C17 | N2 | C16 | 123.7° | 120.0° |
| N2 | C17 | H17 | 108.1° | 109.4° |
| N2 | C17 | H17A | 108.1° | 109.4° |
| C17 | N2 | HN2 | 118.2° | 120.0° |
| C18 | C17 | H17 | 108.1° | 109.5° |
| C18 | C17 | H17A | 108.1° | 109.5° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| C17 | C18 | H18A | 109.5° | 109.5° |
| C17 | C18 | H18B | 109.5° | 109.5° |
| C1 | C2 | C3 | 120.9° | 119.9° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C1 | C2 | H2 | 119.6° | 120.0° |
| C3 | C2 | H2 | 119.5° | 120.1° |
| C2 | C3 | H3 | 120.7° | 119.9° |
| C11 | C12 | CL1 | 118.1° | 119.9° |
| C12 | C11 | H11 | 120.3° | 120.0° |
| N2 | C16 | O4 | 124.0° | 120.1° |
| C16 | N2 | HN2 | 118.1° | 120.0° |
| H7 | C7 | H7A | 107.6° | 109.8° |
| H17 | C17 | H17A | 110.8° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.4° |
| H18 | C18 | H18B | 109.4° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N1 | C8 | C9 | 177.2° | 179.7° |
| N1 | C7 | C6 | C5 | 0.9° | 0.0° |
| C7 | N1 | C8 | C5 | 2.0° | 0.0° |
| N1 | C7 | C6 | H7 | 120.0° | 119.6° |
| N1 | C7 | C6 | H7A | 120.0° | 119.5° |
| N1 | C7 | C6 | C3 | 179.0° | 180.0° |
| C7 | N1 | C8 | C16 | 113.4° | 119.5° |
| C7 | N1 | C9 | C10 | 176.9° | 4.7° |
| C7 | N1 | C9 | O3 | 1.6° | 175.3° |
| N1 | C7 | H7 | H7A | 122.1° | 120.8° |
| C7 | N1 | C8 | H8 | 126.9° | 119.5° |
| N1 | C8 | C5 | C4 | 178.9° | 179.9° |
| N1 | C8 | C5 | C6 | 1.3° | 0.0° |
| N1 | C8 | C5 | C16 | 119.7° | 119.5° |
| N1 | C8 | C5 | H8 | 121.1° | 119.5° |
| C8 | N1 | C7 | C6 | 1.8° | 0.0° |
| N1 | C8 | C16 | H8 | 121.8° | 120.8° |
| C8 | N1 | C9 | C10 | 0.2° | 175.0° |
| C8 | N1 | C9 | O3 | 178.6° | 5.0° |
| N1 | C8 | C16 | N2 | 42.7° | 180.0° |
| N1 | C8 | C16 | O4 | 137.1° | 0.0° |
| C8 | N1 | C7 | H7 | 118.2° | 119.6° |
| C8 | N1 | C7 | H7A | 121.8° | 119.6° |
| C9 | N1 | C8 | C5 | 175.3° | 179.7° |
| C9 | N1 | C7 | C6 | 175.7° | 179.7° |
| C9 | N1 | C8 | C16 | 69.3° | 60.7° |
| N1 | C9 | C10 | C15 | 92.7° | 134.0° |
| N1 | C9 | C10 | O3 | 178.6° | 180.0° |
| N1 | C9 | C10 | C11 | 86.6° | 46.4° |
| C9 | N1 | C7 | H7 | 64.3° | 60.7° |
| C9 | N1 | C7 | H7A | 55.7° | 60.2° |
| C9 | N1 | C8 | H8 | 50.3° | 60.2° |
| C5 | C4 | C1 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C8 | 179.8° | 179.9° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C4 | C5 | C6 | C3 | 0.0° | 0.1° |
| C4 | C5 | C8 | C16 | 61.4° | 60.6° |
| C5 | C4 | C1 | C2 | 0.2° | 0.0° |
| C4 | C5 | C8 | H8 | 57.8° | 60.4° |
| C5 | C4 | C1 | H1 | 179.8° | 180.0° |
| C1 | C4 | C5 | C6 | 0.2° | 0.1° |
| C1 | C4 | C5 | C8 | 180.0° | 179.9° |
| C4 | C1 | C2 | H1 | 180.0° | 180.0° |
| C4 | C1 | C2 | C3 | 0.0° | 0.1° |
| C4 | C1 | C2 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | C3 | 179.9° | 179.9° |
| C6 | C5 | C8 | C16 | 118.4° | 119.5° |
| C5 | C6 | C3 | C2 | 0.2° | 0.1° |
| C6 | C5 | C4 | H4 | 179.8° | 180.0° |
| C5 | C6 | C7 | H7 | 119.1° | 119.5° |
| C5 | C6 | C7 | H7A | 120.9° | 119.6° |
| C6 | C5 | C8 | H8 | 122.4° | 119.5° |
| C5 | C6 | C3 | H3 | 179.8° | 180.0° |
| C8 | C5 | C6 | C7 | 0.3° | 0.0° |
| C8 | C5 | C6 | C3 | 179.8° | 180.0° |
| C5 | C8 | C16 | H8 | 125.2° | 120.9° |
| C5 | C8 | C16 | N2 | 70.2° | 61.8° |
| C5 | C8 | C16 | O4 | 109.9° | 118.2° |
| C8 | C5 | C4 | H4 | 0.0° | 0.1° |
| C7 | C6 | C3 | C2 | 179.7° | 180.0° |
| C6 | C7 | H7 | H7A | 122.2° | 120.9° |
| C7 | C6 | C3 | H3 | 0.3° | 0.0° |
| C6 | C3 | C2 | C1 | 0.2° | 0.0° |
| C6 | C3 | C2 | H3 | 180.0° | 180.0° |
| C3 | C6 | C7 | H7 | 61.0° | 60.4° |
| C3 | C6 | C7 | H7A | 59.0° | 60.5° |
| C6 | C3 | C2 | H2 | 179.8° | 179.9° |
| C8 | C16 | N2 | C17 | 179.7° | 180.0° |
| C8 | C16 | N2 | O4 | 179.9° | 180.0° |
| C8 | C16 | N2 | HN2 | 0.2° | 0.1° |
| C15 | C10 | C9 | C11 | 179.3° | 179.7° |
| C10 | C15 | C14 | C13 | 0.0° | 0.6° |
| C10 | C15 | C14 | O1 | 179.7° | 180.0° |
| C15 | C10 | C9 | O3 | 85.8° | 46.0° |
| C15 | C10 | C11 | C12 | 0.5° | 0.1° |
| C15 | C10 | C11 | H11 | 179.5° | 180.0° |
| C10 | C15 | C14 | H14 | 180.0° | 180.0° |
| C10 | C15 | O1 | HO1 | 180.0° | 89.9° |
| C9 | C10 | C15 | C14 | 178.8° | 180.0° |
| C9 | C10 | C15 | O1 | 0.9° | 0.0° |
| C9 | C10 | C11 | C12 | 178.8° | 179.8° |
| C9 | C10 | C11 | H11 | 1.2° | 0.4° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C15 | C14 | 0.5° | 0.4° |
| C11 | C10 | C15 | O1 | 179.8° | 179.7° |
| C11 | C10 | C9 | O3 | 94.8° | 133.6° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | CL1 | 179.5° | 179.7° |
| C12 | C13 | C14 | O2 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 0.4° | 0.6° |
| C13 | C12 | C11 | CL1 | 179.6° | 179.7° |
| C13 | C12 | C11 | H11 | 179.9° | 179.9° |
| C12 | C13 | C14 | H14 | 179.6° | 180.0° |
| C12 | C13 | O2 | HO2 | 180.0° | 90.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.4° |
| C13 | C14 | C15 | O1 | 179.8° | 179.5° |
| C14 | C13 | C12 | C11 | 0.4° | 0.3° |
| C14 | C13 | C12 | CL1 | 180.0° | 180.0° |
| C14 | C13 | O2 | HO2 | 0.0° | 90.2° |
| O2 | C13 | C14 | C15 | 179.6° | 179.7° |
| O2 | C13 | C12 | C11 | 179.6° | 179.9° |
| O2 | C13 | C12 | CL1 | 0.0° | 0.3° |
| O2 | C13 | C14 | H14 | 0.4° | 0.2° |
| C14 | C15 | O1 | HO1 | 0.3° | 90.0° |
| O1 | C15 | C14 | H14 | 0.2° | 0.0° |
| N2 | C17 | C18 | H17 | 120.0° | 120.0° |
| N2 | C17 | C18 | H17A | 120.0° | 120.0° |
| C17 | N2 | C16 | HN2 | 180.0° | 179.9° |
| C17 | N2 | C16 | O4 | 0.4° | 0.0° |
| N2 | C17 | H17 | H17A | 118.3° | 119.9° |
| N2 | C17 | C18 | H18 | 180.0° | 60.0° |
| N2 | C17 | C18 | H18A | 60.0° | 59.9° |
| N2 | C17 | C18 | H18B | 60.0° | 180.0° |
| C18 | C17 | N2 | C16 | 92.9° | 180.0° |
| C18 | C17 | H17 | H17A | 118.3° | 120.0° |
| C18 | C17 | N2 | HN2 | 87.1° | 0.1° |
| C17 | C18 | H18 | H18A | 120.0° | 120.0° |
| C17 | C18 | H18 | H18B | 120.0° | 120.0° |
| C17 | C18 | H18A | H18B | 120.0° | 120.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C2 | C1 | C4 | H4 | 179.8° | 179.9° |
| C1 | C2 | C3 | H3 | 179.8° | 179.9° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| CL1 | C12 | C11 | H11 | 0.5° | 0.4° |
| N2 | C16 | C8 | H8 | 164.6° | 59.1° |
| C16 | N2 | C17 | H17 | 147.1° | 60.0° |
| C16 | N2 | C17 | H17A | 27.1° | 59.9° |
| O4 | C16 | C8 | H8 | 15.3° | 120.9° |
| O4 | C16 | N2 | HN2 | 179.6° | 179.9° |
| H4 | C4 | C1 | H1 | 0.2° | 0.0° |
| H17 | C17 | N2 | HN2 | 32.9° | 120.1° |
| H17 | C17 | C18 | H18 | 60.0° | 179.9° |
| H17 | C17 | C18 | H18A | 180.0° | 60.1° |
| H17 | C17 | C18 | H18B | 60.0° | 60.0° |
| H17A | C17 | N2 | HN2 | 152.9° | 120.0° |
| H17A | C17 | C18 | H18 | 60.0° | 60.0° |
| H17A | C17 | C18 | H18A | 60.0° | 179.9° |
| H17A | C17 | C18 | H18B | 180.0° | 60.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.1° |
| H2 | C2 | C3 | H3 | 0.2° | 0.1° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
