RS5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C15 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | N4 | doub | 1.31Å | 1.27Å | Aromatic |
| C14 | C12 | sing | 1.41Å | 1.50Å | Aromatic |
| O3 | C11 | doub | 1.22Å | 1.19Å | |
| N4 | N3 | sing | 1.40Å | 1.22Å | Aromatic |
| CL1 | C19 | sing | 1.74Å | 1.79Å | |
| C12 | C11 | sing | 1.46Å | 1.34Å | |
| C12 | C13 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | N1 | sing | 1.35Å | 1.34Å | |
| N3 | C13 | sing | 1.36Å | 1.25Å | Aromatic |
| N3 | C18 | sing | 1.40Å | 1.46Å | |
| C19 | C18 | doub | 1.39Å | 1.43Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | N2 | sing | 1.34Å | 1.30Å | |
| C18 | C23 | sing | 1.39Å | 1.35Å | Aromatic |
| N1 | C10 | sing | 1.36Å | 1.39Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| N2 | C10 | doub | 1.30Å | 1.37Å | |
| C23 | CL2 | sing | 1.74Å | 1.78Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C6 | sing | 1.51Å | 1.55Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | O2 | sing | 1.36Å | 1.40Å | |
| O2 | C2 | sing | 1.43Å | 1.40Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H23 | sing | 0.97Å | 1.00Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C15 | C16 | 108.3° | 109.5° |
| C17 | C15 | C14 | 108.5° | 109.5° |
| C17 | C15 | H13 | 109.7° | 109.5° |
| C15 | C17 | H17 | 109.5° | 109.5° |
| C15 | C17 | H19 | 109.5° | 109.5° |
| C15 | C17 | H18 | 109.5° | 109.5° |
| C16 | C15 | C14 | 109.7° | 109.5° |
| C16 | C15 | H13 | 110.4° | 109.5° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| C15 | C16 | H15 | 109.5° | 109.5° |
| C15 | C16 | H16 | 109.5° | 109.5° |
| C15 | C14 | N4 | 127.5° | 125.8° |
| C15 | C14 | C12 | 128.7° | 125.8° |
| C14 | C15 | H13 | 110.1° | 109.5° |
| N4 | C14 | C12 | 103.9° | 108.4° |
| C14 | N4 | N3 | 111.1° | 109.5° |
| C14 | C12 | C11 | 137.5° | 134.7° |
| C14 | C12 | C13 | 102.9° | 107.3° |
| O3 | C11 | C12 | 120.5° | 121.2° |
| O3 | C11 | N1 | 120.1° | 121.3° |
| N4 | N3 | C13 | 119.4° | 108.3° |
| N4 | N3 | C18 | 121.2° | 125.9° |
| CL1 | C19 | C18 | 121.2° | 120.0° |
| CL1 | C19 | C20 | 119.1° | 120.1° |
| C11 | C12 | C13 | 119.6° | 118.1° |
| C12 | C11 | N1 | 119.4° | 117.5° |
| C12 | C13 | N3 | 102.8° | 106.5° |
| C12 | C13 | N2 | 120.7° | 119.2° |
| C11 | N1 | C10 | 120.9° | 120.3° |
| C11 | N1 | H23 | 119.5° | 119.9° |
| C13 | N3 | C18 | 119.4° | 125.9° |
| N3 | C13 | N2 | 136.6° | 134.3° |
| N3 | C18 | C19 | 118.8° | 120.1° |
| N3 | C18 | C23 | 121.6° | 120.1° |
| C18 | C19 | C20 | 119.7° | 119.9° |
| C19 | C18 | C23 | 119.5° | 119.8° |
| C19 | C20 | C21 | 119.5° | 120.1° |
| C19 | C20 | H20 | 120.2° | 120.0° |
| C13 | N2 | C10 | 119.5° | 121.9° |
| C18 | C23 | CL2 | 118.6° | 120.0° |
| C18 | C23 | C22 | 120.8° | 119.9° |
| N1 | C10 | N2 | 119.9° | 123.0° |
| N1 | C10 | C9 | 117.7° | 118.5° |
| C10 | N1 | H23 | 119.5° | 119.8° |
| C20 | C21 | C22 | 119.9° | 120.2° |
| C21 | C20 | H20 | 120.2° | 120.0° |
| C20 | C21 | H21 | 120.0° | 119.9° |
| N2 | C10 | C9 | 122.3° | 118.5° |
| CL2 | C23 | C22 | 120.6° | 120.1° |
| C23 | C22 | C21 | 120.5° | 120.1° |
| C23 | C22 | H22 | 119.7° | 119.9° |
| C10 | C9 | C6 | 113.4° | 109.5° |
| C10 | C9 | H11 | 108.5° | 109.4° |
| C10 | C9 | H10 | 108.5° | 109.5° |
| C22 | C21 | H21 | 120.0° | 120.0° |
| C21 | C22 | H22 | 119.8° | 120.0° |
| C9 | C6 | C5 | 114.7° | 119.9° |
| C9 | C6 | C7 | 125.5° | 120.0° |
| C6 | C9 | H11 | 108.5° | 109.5° |
| C6 | C9 | H10 | 108.5° | 109.5° |
| C6 | C5 | C4 | 120.8° | 120.1° |
| C5 | C6 | C7 | 119.7° | 120.1° |
| C6 | C5 | H7 | 119.6° | 120.0° |
| C5 | C4 | C3 | 119.9° | 119.9° |
| C5 | C4 | H6 | 120.0° | 120.0° |
| C4 | C5 | H7 | 119.6° | 119.9° |
| C6 | C7 | C8 | 119.5° | 120.1° |
| C6 | C7 | H8 | 120.3° | 120.0° |
| C4 | C3 | C8 | 119.7° | 119.9° |
| C4 | C3 | O2 | 117.3° | 120.0° |
| C3 | C4 | H6 | 120.1° | 120.1° |
| C7 | C8 | C3 | 120.4° | 119.9° |
| C8 | C7 | H8 | 120.3° | 119.9° |
| C7 | C8 | H9 | 119.8° | 120.0° |
| C8 | C3 | O2 | 123.1° | 120.0° |
| C3 | C8 | H9 | 119.8° | 120.1° |
| C3 | O2 | C2 | 118.5° | 117.0° |
| O2 | C2 | C1 | 108.2° | 109.5° |
| O2 | C2 | H4 | 109.8° | 109.5° |
| O2 | C2 | H5 | 109.8° | 109.5° |
| C2 | C1 | O1 | 109.9° | 109.4° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C1 | C2 | H4 | 109.8° | 109.5° |
| C1 | C2 | H5 | 109.8° | 109.4° |
| O1 | C1 | H3 | 109.4° | 109.5° |
| O1 | C1 | H2 | 109.4° | 109.5° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H11 | C9 | H10 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.4° | 109.4° |
| H14 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C17 | H19 | 109.4° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.4° |
| H19 | C17 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C15 | C16 | C14 | 118.3° | 120.0° |
| C17 | C15 | C16 | H13 | 120.1° | 120.0° |
| C17 | C15 | C14 | H13 | 120.0° | 120.0° |
| C17 | C15 | C14 | N4 | 74.2° | 60.1° |
| C17 | C15 | C14 | C12 | 104.5° | 119.8° |
| C17 | C15 | C16 | H14 | 180.0° | 59.9° |
| C17 | C15 | C16 | H15 | 60.0° | 60.0° |
| C17 | C15 | C16 | H16 | 60.0° | 180.0° |
| C15 | C17 | H17 | H19 | 120.0° | 120.0° |
| C15 | C17 | H17 | H18 | 120.0° | 120.0° |
| C15 | C17 | H19 | H18 | 120.0° | 120.1° |
| C16 | C15 | C14 | H13 | 121.8° | 120.0° |
| C16 | C15 | C14 | N4 | 44.0° | 59.9° |
| C16 | C15 | C14 | C12 | 137.3° | 120.2° |
| C15 | C16 | H14 | H15 | 120.0° | 120.0° |
| C15 | C16 | H14 | H16 | 120.0° | 120.0° |
| C15 | C16 | H15 | H16 | 120.0° | 120.0° |
| C16 | C15 | C17 | H17 | 180.0° | 180.0° |
| C16 | C15 | C17 | H19 | 60.0° | 60.1° |
| C16 | C15 | C17 | H18 | 60.0° | 60.0° |
| C15 | C14 | N4 | C12 | 178.9° | 179.9° |
| C15 | C14 | N4 | N3 | 179.3° | 180.0° |
| C15 | C14 | C12 | C11 | 0.9° | 0.1° |
| C15 | C14 | C12 | C13 | 179.1° | 179.9° |
| C14 | C15 | C16 | H14 | 61.7° | 60.0° |
| C14 | C15 | C16 | H15 | 58.3° | 180.0° |
| C14 | C15 | C16 | H16 | 178.3° | 60.0° |
| C14 | C15 | C17 | H17 | 60.9° | 60.0° |
| C14 | C15 | C17 | H19 | 179.1° | 180.0° |
| C14 | C15 | C17 | H18 | 59.1° | 60.0° |
| N4 | C14 | C12 | C11 | 179.9° | 180.0° |
| N4 | C14 | C12 | C13 | 0.2° | 0.2° |
| C14 | N4 | N3 | C13 | 0.4° | 0.0° |
| C14 | N4 | N3 | C18 | 179.3° | 180.0° |
| N4 | C14 | C15 | H13 | 165.8° | 179.9° |
| C14 | C12 | C11 | O3 | 0.1° | 0.0° |
| C12 | C14 | N4 | N3 | 0.3° | 0.1° |
| C14 | C12 | C11 | C13 | 179.9° | 179.8° |
| C14 | C12 | C11 | N1 | 180.0° | 180.0° |
| C14 | C12 | C13 | N3 | 0.0° | 0.2° |
| C14 | C12 | C13 | N2 | 178.9° | 179.9° |
| C12 | C14 | C15 | H13 | 15.5° | 0.2° |
| O3 | C11 | C12 | N1 | 180.0° | 180.0° |
| O3 | C11 | C12 | C13 | 180.0° | 179.8° |
| O3 | C11 | N1 | C10 | 179.1° | 180.0° |
| O3 | C11 | N1 | H23 | 0.9° | 0.0° |
| N4 | N3 | C13 | C12 | 0.2° | 0.1° |
| N4 | N3 | C13 | C18 | 178.9° | 180.0° |
| N4 | N3 | C18 | C19 | 72.3° | 124.4° |
| N4 | N3 | C13 | N2 | 178.9° | 179.7° |
| N4 | N3 | C18 | C23 | 111.2° | 55.4° |
| CL1 | C19 | C18 | N3 | 2.2° | 0.2° |
| CL1 | C19 | C18 | C20 | 178.6° | 180.0° |
| CL1 | C19 | C18 | C23 | 178.7° | 180.0° |
| CL1 | C19 | C20 | C21 | 179.9° | 180.0° |
| CL1 | C19 | C20 | H20 | 0.1° | 0.0° |
| C11 | C12 | C13 | N3 | 180.0° | 180.0° |
| C11 | C12 | C13 | N2 | 1.0° | 0.3° |
| C12 | C11 | N1 | C10 | 0.9° | 0.0° |
| C12 | C11 | N1 | H23 | 179.1° | 180.0° |
| C13 | C12 | C11 | N1 | 0.1° | 0.2° |
| C12 | C13 | N3 | N2 | 178.7° | 179.6° |
| C12 | C13 | N3 | C18 | 179.2° | 179.9° |
| C12 | C13 | N2 | C10 | 3.0° | 0.0° |
| C11 | N1 | C10 | H23 | 180.0° | 180.0° |
| C11 | N1 | C10 | N2 | 2.9° | 0.3° |
| C11 | N1 | C10 | C9 | 179.3° | 180.0° |
| C13 | N3 | C18 | C19 | 106.6° | 55.6° |
| C13 | N3 | C18 | C23 | 69.9° | 124.6° |
| N3 | C13 | N2 | C10 | 178.5° | 179.6° |
| N3 | C18 | C19 | C23 | 176.5° | 179.8° |
| N3 | C18 | C19 | C20 | 179.2° | 179.7° |
| C18 | N3 | C13 | N2 | 2.2° | 0.2° |
| N3 | C18 | C23 | CL2 | 2.4° | 0.2° |
| N3 | C18 | C23 | C22 | 179.2° | 179.7° |
| C18 | C19 | C20 | C21 | 1.2° | 0.1° |
| C19 | C18 | C23 | CL2 | 178.8° | 180.0° |
| C19 | C18 | C23 | C22 | 2.8° | 0.1° |
| C18 | C19 | C20 | H20 | 178.8° | 179.9° |
| C20 | C19 | C18 | C23 | 2.6° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C13 | N2 | C10 | N1 | 3.9° | 0.3° |
| C13 | N2 | C10 | C9 | 179.9° | 179.9° |
| C18 | C23 | CL2 | C22 | 178.4° | 179.9° |
| C18 | C23 | C22 | C21 | 1.6° | 0.1° |
| C18 | C23 | C22 | H22 | 178.5° | 180.0° |
| N1 | C10 | N2 | C9 | 176.2° | 179.7° |
| N1 | C10 | C9 | C6 | 81.6° | 175.1° |
| N1 | C10 | C9 | H11 | 39.0° | 55.2° |
| N1 | C10 | C9 | H10 | 157.8° | 64.8° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| N2 | C10 | C9 | C6 | 94.7° | 5.2° |
| N2 | C10 | C9 | H11 | 144.7° | 125.1° |
| N2 | C10 | C9 | H10 | 25.9° | 114.9° |
| N2 | C10 | N1 | H23 | 177.1° | 179.7° |
| CL2 | C23 | C22 | C21 | 179.9° | 180.0° |
| CL2 | C23 | C22 | H22 | 0.1° | 0.1° |
| C23 | C22 | C21 | H22 | 180.0° | 179.9° |
| C23 | C22 | C21 | H21 | 179.8° | 180.0° |
| C10 | C9 | C6 | H11 | 120.6° | 119.9° |
| C10 | C9 | C6 | H10 | 120.6° | 120.0° |
| C10 | C9 | C6 | C5 | 97.0° | 90.1° |
| C10 | C9 | C6 | C7 | 86.9° | 90.0° |
| C10 | C9 | H11 | H10 | 118.2° | 120.0° |
| C9 | C10 | N1 | H23 | 0.7° | 0.1° |
| C22 | C21 | C20 | H20 | 180.0° | 180.0° |
| C9 | C6 | C5 | C7 | 176.3° | 180.0° |
| C9 | C6 | C5 | C4 | 179.1° | 180.0° |
| C9 | C6 | C7 | C8 | 178.2° | 180.0° |
| C9 | C6 | C5 | H7 | 0.9° | 0.1° |
| C9 | C6 | C7 | H8 | 1.8° | 0.1° |
| C6 | C9 | H11 | H10 | 118.2° | 120.1° |
| C6 | C5 | C4 | H7 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 1.7° | 0.0° |
| C5 | C6 | C7 | C8 | 2.3° | 0.0° |
| C6 | C5 | C4 | H6 | 178.3° | 179.9° |
| C5 | C6 | C7 | H8 | 177.7° | 179.9° |
| C5 | C6 | C9 | H11 | 23.6° | 150.0° |
| C5 | C6 | C9 | H10 | 142.4° | 30.0° |
| C4 | C5 | C6 | C7 | 2.7° | 0.0° |
| C5 | C4 | C3 | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | C8 | 0.3° | 0.0° |
| C5 | C4 | C3 | O2 | 179.3° | 179.7° |
| C6 | C7 | C8 | H8 | 180.0° | 179.9° |
| C6 | C7 | C8 | C3 | 1.0° | 0.0° |
| C7 | C6 | C5 | H7 | 177.3° | 180.0° |
| C6 | C7 | C8 | H9 | 179.1° | 179.7° |
| C7 | C6 | C9 | H11 | 152.5° | 30.0° |
| C7 | C6 | C9 | H10 | 33.7° | 150.0° |
| C4 | C3 | C8 | C7 | 0.0° | 0.0° |
| C4 | C3 | C8 | O2 | 179.6° | 179.7° |
| C4 | C3 | O2 | C2 | 166.3° | 0.3° |
| C3 | C4 | C5 | H7 | 178.3° | 180.0° |
| C4 | C3 | C8 | H9 | 180.0° | 179.7° |
| C7 | C8 | C3 | H9 | 180.0° | 179.7° |
| C7 | C8 | C3 | O2 | 179.6° | 179.7° |
| C8 | C3 | O2 | C2 | 14.1° | 180.0° |
| C8 | C3 | C4 | H6 | 179.7° | 179.9° |
| C3 | C8 | C7 | H8 | 179.0° | 179.9° |
| C3 | O2 | C2 | C1 | 162.7° | 180.0° |
| C3 | O2 | C2 | H4 | 42.9° | 59.9° |
| C3 | O2 | C2 | H5 | 77.5° | 60.1° |
| O2 | C3 | C4 | H6 | 0.7° | 0.4° |
| O2 | C3 | C8 | H9 | 0.4° | 0.0° |
| O2 | C2 | C1 | H4 | 119.8° | 120.1° |
| O2 | C2 | C1 | H5 | 119.8° | 120.0° |
| O2 | C2 | C1 | O1 | 162.2° | 65.0° |
| O2 | C2 | C1 | H3 | 42.1° | 175.0° |
| O2 | C2 | C1 | H2 | 77.8° | 55.0° |
| O2 | C2 | H4 | H5 | 120.6° | 120.0° |
| C2 | C1 | O1 | H3 | 120.1° | 120.0° |
| C2 | C1 | O1 | H2 | 120.1° | 120.0° |
| C2 | C1 | H3 | H2 | 119.8° | 120.0° |
| C1 | C2 | H4 | H5 | 120.6° | 119.9° |
| C2 | C1 | O1 | H1 | 180.0° | 180.0° |
| O1 | C1 | H3 | H2 | 119.8° | 120.0° |
| O1 | C1 | C2 | H4 | 78.0° | 175.0° |
| O1 | C1 | C2 | H5 | 42.4° | 55.0° |
| H3 | C1 | C2 | H4 | 161.9° | 55.0° |
| H3 | C1 | C2 | H5 | 77.7° | 65.0° |
| H3 | C1 | O1 | H1 | 59.9° | 60.0° |
| H2 | C1 | C2 | H4 | 42.0° | 65.0° |
| H2 | C1 | C2 | H5 | 162.4° | 175.0° |
| H2 | C1 | O1 | H1 | 59.9° | 60.1° |
| H6 | C4 | C5 | H7 | 1.7° | 0.1° |
| H8 | C7 | C8 | H9 | 1.0° | 0.4° |
| H13 | C15 | C16 | H14 | 59.9° | 180.0° |
| H13 | C15 | C16 | H15 | 179.9° | 60.0° |
| H13 | C15 | C16 | H16 | 60.1° | 59.9° |
| H13 | C15 | C17 | H17 | 59.4° | 60.0° |
| H13 | C15 | C17 | H19 | 60.6° | 60.0° |
| H13 | C15 | C17 | H18 | 179.4° | 180.0° |
| H14 | C16 | H15 | H16 | 120.0° | 120.0° |
| H17 | C17 | H19 | H18 | 120.0° | 120.0° |
| H20 | C20 | C21 | H21 | 0.0° | 0.0° |
| H21 | C21 | C22 | H22 | 0.1° | 0.0° |
