H5R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | O02 | sing | 1.43Å | 1.41Å | |
| O02 | C16 | sing | 1.36Å | 1.41Å | |
| C23 | N24 | sing | 1.47Å | 1.45Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.36Å | 1.40Å | Aromatic |
| N24 | C25 | sing | 1.47Å | 1.47Å | |
| C16 | C11 | doub | 1.36Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.42Å | 1.39Å | Aromatic |
| C13 | N10 | sing | 1.33Å | 1.37Å | Aromatic |
| C21 | C26 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C12 | C18 | sing | 1.41Å | 1.37Å | Aromatic |
| N10 | C09 | doub | 1.33Å | 1.37Å | Aromatic |
| C20 | S19 | sing | 1.81Å | 1.82Å | |
| C18 | C08 | doub | 1.41Å | 1.37Å | Aromatic |
| C18 | S19 | sing | 1.76Å | 1.84Å | |
| C09 | C08 | sing | 1.42Å | 1.40Å | Aromatic |
| C09 | C07 | sing | 1.41Å | 1.41Å | Aromatic |
| C08 | C04 | sing | 1.40Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.36Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.37Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.41Å | Aromatic |
| C05 | O03 | sing | 1.36Å | 1.41Å | |
| O03 | C01 | sing | 1.43Å | 1.40Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.08Å | 1.08Å | |
| C06 | H16 | sing | 1.08Å | 1.08Å | |
| C07 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| N24 | H24 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | O02 | C16 | 111.6° | 117.0° |
| O02 | C17 | H2 | 109.5° | 109.5° |
| O02 | C17 | H3 | 109.5° | 109.5° |
| O02 | C17 | H4 | 109.5° | 109.4° |
| O02 | C16 | C15 | 119.1° | 119.6° |
| O02 | C16 | C11 | 120.7° | 119.7° |
| N24 | C23 | C22 | 110.1° | 109.5° |
| C23 | N24 | C25 | 109.3° | 111.2° |
| N24 | C23 | H20 | 109.3° | 109.5° |
| N24 | C23 | H21 | 109.3° | 109.4° |
| C23 | N24 | H24 | 109.5° | 111.0° |
| C23 | C22 | C21 | 109.3° | 109.3° |
| C23 | C22 | H8 | 109.5° | 109.5° |
| C23 | C22 | H9 | 109.5° | 109.5° |
| C22 | C23 | H20 | 109.3° | 109.5° |
| C22 | C23 | H21 | 109.3° | 109.5° |
| C16 | C15 | C14 | 120.8° | 121.1° |
| C15 | C16 | C11 | 120.3° | 120.7° |
| C16 | C15 | H1 | 119.6° | 119.5° |
| C15 | C14 | C13 | 118.5° | 119.9° |
| C14 | C15 | H1 | 119.6° | 119.5° |
| C15 | C14 | H19 | 120.7° | 120.0° |
| N24 | C25 | C26 | 110.7° | 109.5° |
| N24 | C25 | H22 | 109.2° | 109.4° |
| N24 | C25 | H23 | 109.2° | 109.5° |
| C25 | N24 | H24 | 109.5° | 111.0° |
| C16 | C11 | C12 | 118.4° | 119.6° |
| C16 | C11 | H18 | 120.8° | 120.1° |
| C14 | C13 | C12 | 120.6° | 118.9° |
| C14 | C13 | N10 | 119.0° | 120.3° |
| C13 | C14 | H19 | 120.7° | 120.0° |
| C22 | C21 | C26 | 111.6° | 109.2° |
| C22 | C21 | C20 | 108.6° | 109.5° |
| C22 | C21 | H7 | 109.8° | 109.6° |
| C21 | C22 | H8 | 109.5° | 109.5° |
| C21 | C22 | H9 | 109.5° | 109.5° |
| C25 | C26 | C21 | 112.9° | 109.3° |
| C25 | C26 | H10 | 108.6° | 109.5° |
| C25 | C26 | H11 | 108.6° | 109.5° |
| C26 | C25 | H22 | 109.2° | 109.4° |
| C26 | C25 | H23 | 109.1° | 109.5° |
| C11 | C12 | C13 | 121.3° | 119.8° |
| C11 | C12 | C18 | 119.2° | 120.9° |
| C12 | C11 | H18 | 120.8° | 120.2° |
| C12 | C13 | N10 | 120.3° | 120.8° |
| C13 | C12 | C18 | 119.5° | 119.4° |
| C13 | N10 | C09 | 119.8° | 121.9° |
| C26 | C21 | C20 | 107.0° | 109.5° |
| C26 | C21 | H7 | 109.9° | 109.5° |
| C21 | C26 | H10 | 108.6° | 109.5° |
| C21 | C26 | H11 | 108.6° | 109.5° |
| C21 | C20 | S19 | 108.5° | 109.5° |
| C21 | C20 | H5 | 109.7° | 109.4° |
| C21 | C20 | H6 | 109.7° | 109.5° |
| C20 | C21 | H7 | 109.9° | 109.5° |
| C12 | C18 | C08 | 120.8° | 117.8° |
| C12 | C18 | S19 | 119.9° | 121.1° |
| N10 | C09 | C08 | 120.3° | 120.7° |
| N10 | C09 | C07 | 119.6° | 120.3° |
| C20 | S19 | C18 | 105.7° | 100.0° |
| S19 | C20 | H5 | 109.7° | 109.4° |
| S19 | C20 | H6 | 109.7° | 109.5° |
| C08 | C18 | S19 | 119.3° | 121.1° |
| C18 | C08 | C09 | 119.2° | 119.4° |
| C18 | C08 | C04 | 120.0° | 120.9° |
| C08 | C09 | C07 | 120.1° | 119.0° |
| C09 | C08 | C04 | 120.8° | 119.7° |
| C09 | C07 | C06 | 119.7° | 119.9° |
| C09 | C07 | H17 | 120.2° | 120.1° |
| C08 | C04 | C05 | 119.3° | 119.7° |
| C08 | C04 | H15 | 120.3° | 120.1° |
| C07 | C06 | C05 | 120.8° | 121.1° |
| C07 | C06 | H16 | 119.6° | 119.4° |
| C06 | C07 | H17 | 120.2° | 120.0° |
| C04 | C05 | C06 | 119.4° | 120.7° |
| C04 | C05 | O03 | 122.2° | 119.6° |
| C05 | C04 | H15 | 120.3° | 120.2° |
| C06 | C05 | O03 | 118.4° | 119.7° |
| C05 | C06 | H16 | 119.6° | 119.5° |
| C05 | O03 | C01 | 116.5° | 117.0° |
| O03 | C01 | H12 | 109.5° | 109.5° |
| O03 | C01 | H13 | 109.5° | 109.4° |
| O03 | C01 | H14 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H4 | 109.4° | 109.4° |
| H3 | C17 | H4 | 109.4° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H10 | C26 | H11 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.4° | 109.4° |
| H12 | C01 | H14 | 109.4° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | O02 | C16 | C15 | 18.9° | 0.0° |
| C17 | O02 | C16 | C11 | 160.9° | 179.8° |
| O02 | C17 | H2 | H3 | 120.0° | 120.0° |
| O02 | C17 | H2 | H4 | 120.0° | 119.9° |
| O02 | C17 | H3 | H4 | 120.0° | 120.0° |
| O02 | C16 | C15 | C11 | 179.8° | 179.8° |
| O02 | C16 | C15 | C14 | 179.9° | 180.0° |
| O02 | C16 | C11 | C12 | 179.9° | 179.8° |
| O02 | C16 | C15 | H1 | 0.1° | 0.2° |
| C16 | O02 | C17 | H2 | 180.0° | 60.0° |
| C16 | O02 | C17 | H3 | 60.0° | 60.0° |
| C16 | O02 | C17 | H4 | 60.0° | 180.0° |
| O02 | C16 | C11 | H18 | 0.1° | 0.2° |
| N24 | C23 | C22 | H20 | 120.1° | 120.0° |
| N24 | C23 | C22 | H21 | 120.1° | 120.0° |
| C23 | N24 | C25 | H24 | 120.0° | 124.1° |
| N24 | C23 | C22 | C21 | 62.3° | 59.2° |
| C23 | N24 | C25 | C26 | 60.3° | 61.7° |
| N24 | C23 | C22 | H8 | 177.8° | 60.8° |
| N24 | C23 | C22 | H9 | 57.7° | 179.1° |
| N24 | C23 | H20 | H21 | 119.7° | 119.9° |
| C23 | N24 | C25 | H22 | 179.4° | 58.2° |
| C23 | N24 | C25 | H23 | 59.9° | 178.2° |
| C22 | C23 | N24 | C25 | 67.5° | 61.7° |
| C23 | C22 | C21 | H8 | 120.0° | 119.9° |
| C23 | C22 | C21 | H9 | 120.0° | 119.9° |
| C23 | C22 | C21 | C26 | 50.9° | 57.7° |
| C23 | C22 | C21 | C20 | 168.6° | 177.6° |
| C23 | C22 | C21 | H7 | 71.2° | 62.3° |
| C23 | C22 | H8 | H9 | 120.1° | 120.1° |
| C22 | C23 | H20 | H21 | 119.7° | 120.0° |
| C22 | C23 | N24 | H24 | 52.5° | 62.4° |
| C16 | C15 | C14 | H1 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.0° | 0.1° |
| C15 | C16 | C11 | C12 | 0.4° | 0.4° |
| C15 | C16 | C11 | H18 | 179.6° | 180.0° |
| C16 | C15 | C14 | H19 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.4° | 0.2° |
| C15 | C14 | C13 | H19 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.4° | 0.0° |
| C15 | C14 | C13 | N10 | 179.8° | 179.7° |
| N24 | C25 | C26 | H22 | 120.2° | 120.0° |
| N24 | C25 | C26 | H23 | 120.2° | 120.0° |
| N24 | C25 | C26 | C21 | 50.2° | 59.1° |
| N24 | C25 | C26 | H10 | 70.3° | 179.1° |
| N24 | C25 | C26 | H11 | 170.7° | 60.8° |
| C25 | N24 | C23 | H20 | 52.6° | 178.2° |
| C25 | N24 | C23 | H21 | 172.4° | 58.3° |
| N24 | C25 | H22 | H23 | 119.4° | 120.0° |
| C16 | C11 | C12 | H18 | 180.0° | 179.6° |
| C16 | C11 | C12 | C13 | 0.0° | 0.4° |
| C16 | C11 | C12 | C18 | 179.8° | 179.5° |
| C11 | C16 | C15 | H1 | 179.7° | 180.0° |
| C14 | C13 | C12 | C11 | 0.4° | 0.2° |
| C14 | C13 | C12 | N10 | 179.4° | 179.7° |
| C14 | C13 | C12 | C18 | 179.8° | 179.8° |
| C14 | C13 | N10 | C09 | 179.2° | 179.7° |
| C13 | C14 | C15 | H1 | 180.0° | 179.8° |
| C22 | C21 | C26 | C25 | 46.0° | 57.6° |
| C22 | C21 | C26 | C20 | 118.6° | 119.9° |
| C22 | C21 | C26 | H7 | 122.1° | 120.0° |
| C22 | C21 | C20 | H7 | 120.1° | 120.1° |
| C22 | C21 | C20 | S19 | 162.5° | 65.3° |
| C22 | C21 | C20 | H5 | 42.7° | 54.7° |
| C22 | C21 | C20 | H6 | 77.6° | 174.7° |
| C21 | C22 | H8 | H9 | 120.1° | 120.1° |
| C22 | C21 | C26 | H10 | 74.5° | 177.6° |
| C22 | C21 | C26 | H11 | 166.5° | 62.3° |
| C21 | C22 | C23 | H20 | 57.8° | 179.2° |
| C21 | C22 | C23 | H21 | 177.6° | 60.8° |
| C25 | C26 | C21 | H10 | 120.5° | 120.0° |
| C25 | C26 | C21 | H11 | 120.5° | 119.9° |
| C25 | C26 | C21 | C20 | 164.6° | 177.6° |
| C25 | C26 | C21 | H7 | 76.1° | 62.4° |
| C25 | C26 | H10 | H11 | 118.5° | 120.1° |
| C26 | C25 | H22 | H23 | 119.4° | 120.0° |
| C26 | C25 | N24 | H24 | 59.6° | 62.4° |
| C11 | C12 | C13 | C18 | 179.9° | 180.0° |
| C11 | C12 | C13 | N10 | 179.8° | 179.9° |
| C11 | C12 | C18 | C08 | 179.3° | 179.9° |
| C11 | C12 | C18 | S19 | 0.4° | 0.0° |
| C12 | C13 | N10 | C09 | 0.2° | 0.0° |
| C13 | C12 | C18 | C08 | 0.8° | 0.0° |
| C13 | C12 | C18 | S19 | 179.7° | 180.0° |
| C13 | C12 | C11 | H18 | 180.0° | 180.0° |
| C12 | C13 | C14 | H19 | 179.6° | 180.0° |
| N10 | C13 | C12 | C18 | 0.4° | 0.0° |
| C13 | N10 | C09 | C08 | 0.4° | 0.0° |
| C13 | N10 | C09 | C07 | 179.7° | 179.9° |
| N10 | C13 | C14 | H19 | 0.2° | 0.3° |
| C26 | C21 | C20 | H7 | 119.3° | 120.1° |
| C26 | C21 | C20 | S19 | 76.9° | 175.0° |
| C26 | C21 | C20 | H5 | 163.3° | 65.1° |
| C26 | C21 | C20 | H6 | 43.0° | 55.0° |
| C26 | C21 | C22 | H8 | 170.9° | 62.3° |
| C26 | C21 | C22 | H9 | 69.1° | 177.6° |
| C21 | C26 | H10 | H11 | 118.4° | 120.1° |
| C21 | C26 | C25 | H22 | 170.5° | 60.9° |
| C21 | C26 | C25 | H23 | 70.0° | 179.2° |
| C21 | C20 | S19 | H5 | 119.9° | 119.9° |
| C21 | C20 | S19 | H6 | 119.8° | 120.1° |
| C21 | C20 | S19 | C18 | 91.7° | 180.0° |
| C21 | C20 | H5 | H6 | 120.4° | 120.0° |
| C20 | C21 | C22 | H8 | 71.4° | 57.7° |
| C20 | C21 | C22 | H9 | 48.7° | 62.5° |
| C20 | C21 | C26 | H10 | 44.1° | 62.5° |
| C20 | C21 | C26 | H11 | 74.9° | 57.6° |
| C12 | C18 | S19 | C20 | 99.0° | 90.0° |
| C12 | C18 | C08 | S19 | 178.9° | 179.9° |
| C12 | C18 | C08 | C09 | 0.6° | 0.0° |
| C12 | C18 | C08 | C04 | 179.4° | 179.9° |
| C18 | C12 | C11 | H18 | 0.1° | 0.1° |
| N10 | C09 | C08 | C18 | 0.0° | 0.0° |
| N10 | C09 | C08 | C07 | 179.9° | 180.0° |
| N10 | C09 | C08 | C04 | 180.0° | 179.9° |
| N10 | C09 | C07 | C06 | 179.8° | 179.9° |
| N10 | C09 | C07 | H17 | 0.2° | 0.1° |
| C20 | S19 | C18 | C08 | 80.0° | 90.0° |
| S19 | C20 | H5 | H6 | 120.5° | 120.0° |
| S19 | C20 | C21 | H7 | 42.5° | 54.9° |
| C18 | C08 | C09 | C04 | 180.0° | 179.9° |
| C18 | C08 | C09 | C07 | 179.9° | 179.9° |
| C18 | C08 | C04 | C05 | 179.5° | 179.9° |
| C18 | C08 | C04 | H15 | 0.5° | 0.1° |
| S19 | C18 | C08 | C09 | 179.6° | 179.9° |
| S19 | C18 | C08 | C04 | 0.4° | 0.1° |
| C18 | S19 | C20 | H5 | 28.2° | 60.0° |
| C18 | S19 | C20 | H6 | 148.5° | 60.0° |
| C08 | C09 | C07 | C06 | 0.1° | 0.1° |
| C09 | C08 | C04 | C05 | 0.5° | 0.0° |
| C09 | C08 | C04 | H15 | 179.5° | 180.0° |
| C08 | C09 | C07 | H17 | 179.9° | 180.0° |
| C07 | C09 | C08 | C04 | 0.1° | 0.0° |
| C09 | C07 | C06 | H17 | 180.0° | 180.0° |
| C09 | C07 | C06 | C05 | 0.1° | 0.0° |
| C09 | C07 | C06 | H16 | 179.9° | 180.0° |
| C08 | C04 | C05 | H15 | 180.0° | 180.0° |
| C08 | C04 | C05 | C06 | 0.7° | 0.0° |
| C08 | C04 | C05 | O03 | 179.8° | 180.0° |
| C07 | C06 | C05 | C04 | 0.5° | 0.0° |
| C07 | C06 | C05 | H16 | 180.0° | 180.0° |
| C07 | C06 | C05 | O03 | 179.9° | 180.0° |
| C04 | C05 | C06 | O03 | 179.6° | 180.0° |
| C04 | C05 | O03 | C01 | 1.6° | 180.0° |
| C04 | C05 | C06 | H16 | 179.5° | 180.0° |
| C06 | C05 | O03 | C01 | 178.8° | 0.0° |
| C06 | C05 | C04 | H15 | 179.3° | 180.0° |
| C05 | C06 | C07 | H17 | 179.9° | 180.0° |
| C05 | O03 | C01 | H12 | 180.0° | 180.0° |
| C05 | O03 | C01 | H13 | 60.0° | 60.0° |
| C05 | O03 | C01 | H14 | 60.0° | 60.0° |
| O03 | C05 | C04 | H15 | 0.2° | 0.0° |
| O03 | C05 | C06 | H16 | 0.1° | 0.0° |
| O03 | C01 | H12 | H13 | 120.0° | 119.9° |
| O03 | C01 | H12 | H14 | 120.0° | 120.1° |
| O03 | C01 | H13 | H14 | 120.0° | 120.0° |
| H1 | C15 | C14 | H19 | 0.0° | 0.2° |
| H2 | C17 | H3 | H4 | 120.0° | 120.0° |
| H5 | C20 | C21 | H7 | 77.4° | 174.8° |
| H6 | C20 | C21 | H7 | 162.3° | 65.2° |
| H7 | C21 | C22 | H8 | 48.7° | 177.7° |
| H7 | C21 | C22 | H9 | 168.8° | 57.6° |
| H7 | C21 | C26 | H10 | 163.4° | 57.6° |
| H7 | C21 | C26 | H11 | 44.5° | 177.7° |
| H8 | C22 | C23 | H20 | 62.1° | 59.2° |
| H8 | C22 | C23 | H21 | 57.7° | 179.3° |
| H9 | C22 | C23 | H20 | 177.8° | 60.9° |
| H9 | C22 | C23 | H21 | 62.4° | 59.2° |
| H10 | C26 | C25 | H22 | 50.0° | 59.1° |
| H10 | C26 | C25 | H23 | 169.5° | 60.9° |
| H11 | C26 | C25 | H22 | 69.0° | 179.2° |
| H11 | C26 | C25 | H23 | 50.5° | 59.2° |
| H12 | C01 | H13 | H14 | 120.0° | 120.0° |
| H16 | C06 | C07 | H17 | 0.1° | 0.0° |
| H20 | C23 | N24 | H24 | 172.6° | 57.6° |
| H21 | C23 | N24 | H24 | 67.6° | 177.6° |
| H22 | C25 | N24 | H24 | 60.6° | 177.7° |
| H23 | C25 | N24 | H24 | 179.8° | 57.7° |
