1RH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.51Å | |
| N2 | C3 | sing | 1.47Å | 1.46Å | |
| O8 | C5 | doub | 1.21Å | 1.25Å | |
| C3 | C5 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.60Å | |
| C5 | N6 | sing | 1.35Å | 1.32Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| N6 | C7 | sing | 1.46Å | 1.45Å | |
| C16 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C15 | sing | 1.53Å | 1.49Å | |
| C7 | C9 | sing | 1.51Å | 1.44Å | |
| C19 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.37Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.37Å | |
| C15 | N14 | sing | 1.46Å | 1.47Å | |
| C13 | N14 | sing | 1.39Å | 1.34Å | |
| C9 | N11 | sing | 1.35Å | 1.36Å | |
| C9 | O10 | doub | 1.21Å | 1.26Å | |
| N11 | C20 | sing | 1.46Å | 1.53Å | |
| N14 | C29 | sing | 1.35Å | 1.35Å | |
| O27 | C28 | sing | 1.43Å | 1.45Å | |
| O27 | C26 | sing | 1.36Å | 1.35Å | |
| C20 | C21 | sing | 1.51Å | 1.40Å | |
| C29 | O30 | doub | 1.22Å | 1.23Å | |
| C29 | C31 | sing | 1.47Å | 1.40Å | |
| C26 | C21 | doub | 1.37Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C36 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | C24 | doub | 1.36Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C40 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.42Å | 1.42Å | Aromatic |
| C35 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C40 | C39 | sing | 1.36Å | 1.39Å | Aromatic |
| C34 | N41 | sing | 1.39Å | 1.33Å | |
| C24 | C23 | sing | 1.41Å | 1.40Å | Aromatic |
| C23 | C37 | doub | 1.40Å | 1.39Å | Aromatic |
| C39 | C38 | doub | 1.39Å | 1.37Å | Aromatic |
| C37 | C38 | sing | 1.36Å | 1.41Å | Aromatic |
| C28 | H1 | sing | 1.09Å | 1.10Å | |
| C28 | H2 | sing | 1.09Å | 1.10Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C37 | H6 | sing | 1.08Å | 1.08Å | |
| C38 | H7 | sing | 1.08Å | 1.08Å | |
| C39 | H8 | sing | 1.08Å | 1.08Å | |
| C40 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| N2 | H20 | sing | 1.01Å | 1.00Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C17 | H27 | sing | 1.08Å | 1.08Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| N41 | H31 | sing | 0.97Å | 1.00Å | |
| N41 | H32 | sing | 0.97Å | 1.00Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | C3 | 114.3° | 111.0° |
| C1 | N2 | H20 | 108.3° | 111.0° |
| N2 | C1 | H22 | 109.5° | 109.5° |
| N2 | C1 | H23 | 109.5° | 109.5° |
| N2 | C1 | H24 | 109.5° | 109.5° |
| N2 | C3 | C5 | 109.0° | 109.5° |
| N2 | C3 | C4 | 108.8° | 109.5° |
| N2 | C3 | H16 | 112.0° | 109.5° |
| C3 | N2 | H20 | 108.2° | 111.0° |
| O8 | C5 | C3 | 119.2° | 120.0° |
| O8 | C5 | N6 | 127.3° | 120.0° |
| C5 | C3 | C4 | 105.9° | 109.5° |
| C3 | C5 | N6 | 113.3° | 120.0° |
| C5 | C3 | H16 | 111.0° | 109.5° |
| C4 | C3 | H16 | 109.9° | 109.5° |
| C3 | C4 | H17 | 109.5° | 109.5° |
| C3 | C4 | H18 | 109.5° | 109.4° |
| C3 | C4 | H19 | 109.5° | 109.4° |
| C5 | N6 | C7 | 126.1° | 120.0° |
| C5 | N6 | H15 | 117.0° | 120.0° |
| C17 | C18 | C16 | 120.7° | 120.3° |
| C18 | C17 | C19 | 120.1° | 120.3° |
| C17 | C18 | H26 | 119.7° | 119.9° |
| C18 | C17 | H27 | 120.0° | 119.8° |
| C18 | C16 | C12 | 119.9° | 119.8° |
| C18 | C16 | H25 | 120.1° | 120.1° |
| C16 | C18 | H26 | 119.7° | 119.8° |
| C17 | C19 | C13 | 118.9° | 119.8° |
| C19 | C17 | H27 | 120.0° | 119.9° |
| C17 | C19 | H28 | 120.6° | 120.1° |
| N6 | C7 | C15 | 110.9° | 109.3° |
| N6 | C7 | C9 | 109.5° | 109.4° |
| N6 | C7 | H12 | 107.5° | 109.2° |
| C7 | N6 | H15 | 117.0° | 120.0° |
| C16 | C12 | C13 | 118.4° | 119.9° |
| C16 | C12 | N11 | 119.8° | 120.9° |
| C12 | C16 | H25 | 120.0° | 120.1° |
| C15 | C7 | C9 | 114.0° | 110.2° |
| C7 | C15 | N14 | 112.8° | 109.8° |
| C15 | C7 | H12 | 107.0° | 109.4° |
| C7 | C15 | H13 | 108.6° | 109.5° |
| C7 | C15 | H14 | 108.7° | 109.4° |
| C7 | C9 | N11 | 119.3° | 120.4° |
| C7 | C9 | O10 | 119.9° | 119.8° |
| C9 | C7 | H12 | 107.6° | 109.4° |
| C19 | C13 | C12 | 122.0° | 119.9° |
| C19 | C13 | N14 | 112.3° | 120.5° |
| C13 | C19 | H28 | 120.5° | 120.1° |
| C13 | C12 | N11 | 121.9° | 119.2° |
| C12 | C13 | N14 | 125.4° | 119.6° |
| C12 | N11 | C9 | 120.7° | 120.4° |
| C12 | N11 | C20 | 120.3° | 119.8° |
| C15 | N14 | C13 | 119.2° | 118.9° |
| C15 | N14 | C29 | 114.0° | 120.6° |
| N14 | C15 | H13 | 108.7° | 109.4° |
| N14 | C15 | H14 | 108.6° | 109.3° |
| C13 | N14 | C29 | 126.2° | 120.5° |
| N11 | C9 | O10 | 120.6° | 119.8° |
| C9 | N11 | C20 | 119.1° | 119.8° |
| N11 | C20 | C21 | 113.5° | 109.4° |
| N11 | C20 | H10 | 108.4° | 109.5° |
| N11 | C20 | H11 | 108.5° | 109.5° |
| N14 | C29 | O30 | 118.7° | 120.0° |
| N14 | C29 | C31 | 124.7° | 120.0° |
| C28 | O27 | C26 | 114.8° | 117.0° |
| O27 | C28 | H1 | 109.5° | 109.4° |
| O27 | C28 | H2 | 109.5° | 109.4° |
| O27 | C28 | H3 | 109.5° | 109.5° |
| O27 | C26 | C21 | 115.0° | 119.6° |
| O27 | C26 | C25 | 123.3° | 119.6° |
| C20 | C21 | C26 | 118.9° | 120.2° |
| C20 | C21 | C22 | 124.2° | 120.2° |
| C21 | C20 | H10 | 108.5° | 109.4° |
| C21 | C20 | H11 | 108.5° | 109.5° |
| O30 | C29 | C31 | 115.7° | 120.0° |
| C29 | C31 | C32 | 118.3° | 120.1° |
| C29 | C31 | C36 | 122.1° | 120.0° |
| C21 | C26 | C25 | 121.7° | 120.8° |
| C26 | C21 | C22 | 116.9° | 119.6° |
| C26 | C25 | C24 | 120.2° | 120.9° |
| C26 | C25 | H4 | 119.9° | 119.5° |
| C32 | C31 | C36 | 119.4° | 119.9° |
| C31 | C32 | C33 | 119.4° | 119.9° |
| C31 | C32 | H29 | 120.3° | 120.1° |
| C31 | C36 | C35 | 121.0° | 119.9° |
| C31 | C36 | H34 | 119.5° | 120.0° |
| C21 | C22 | C40 | 121.7° | 121.2° |
| C21 | C22 | C23 | 122.5° | 119.4° |
| C32 | C33 | C34 | 120.4° | 120.0° |
| C33 | C32 | H29 | 120.3° | 120.0° |
| C32 | C33 | H30 | 119.8° | 120.0° |
| C36 | C35 | C34 | 119.9° | 120.1° |
| C36 | C35 | H33 | 120.0° | 119.9° |
| C35 | C36 | H34 | 119.5° | 120.1° |
| C25 | C24 | C23 | 119.7° | 119.7° |
| C24 | C25 | H4 | 119.9° | 119.5° |
| C25 | C24 | H5 | 120.1° | 120.1° |
| C33 | C34 | C35 | 119.8° | 120.1° |
| C33 | C34 | N41 | 119.7° | 119.9° |
| C34 | C33 | H30 | 119.8° | 120.0° |
| C40 | C22 | C23 | 115.9° | 119.4° |
| C22 | C40 | C39 | 121.3° | 119.7° |
| C22 | C40 | H9 | 119.3° | 120.2° |
| C22 | C23 | C24 | 118.9° | 119.4° |
| C22 | C23 | C37 | 121.2° | 119.3° |
| C35 | C34 | N41 | 120.4° | 119.9° |
| C34 | C35 | H33 | 120.0° | 120.0° |
| C40 | C39 | C38 | 123.6° | 121.0° |
| C40 | C39 | H8 | 118.2° | 119.5° |
| C39 | C40 | H9 | 119.4° | 120.2° |
| C34 | N41 | H31 | 109.5° | 120.0° |
| C34 | N41 | H32 | 109.4° | 120.0° |
| C24 | C23 | C37 | 119.9° | 121.2° |
| C23 | C24 | H5 | 120.1° | 120.1° |
| C23 | C37 | C38 | 122.5° | 119.7° |
| C23 | C37 | H6 | 118.8° | 120.2° |
| C39 | C38 | C37 | 115.5° | 121.0° |
| C39 | C38 | H7 | 122.2° | 119.5° |
| C38 | C39 | H8 | 118.2° | 119.5° |
| C38 | C37 | H6 | 118.8° | 120.1° |
| C37 | C38 | H7 | 122.3° | 119.5° |
| H1 | C28 | H2 | 109.5° | 109.5° |
| H1 | C28 | H3 | 109.5° | 109.5° |
| H2 | C28 | H3 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.4° |
| H17 | C4 | H18 | 109.4° | 109.5° |
| H17 | C4 | H19 | 109.5° | 109.5° |
| H18 | C4 | H19 | 109.4° | 109.4° |
| H22 | C1 | H23 | 109.5° | 109.5° |
| H22 | C1 | H24 | 109.5° | 109.5° |
| H23 | C1 | H24 | 109.4° | 109.5° |
| H31 | N41 | H32 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | C3 | H20 | 120.7° | 123.9° |
| C1 | N2 | C3 | C5 | 71.2° | 155.0° |
| C1 | N2 | C3 | C4 | 173.7° | 85.0° |
| C1 | N2 | C3 | H16 | 52.1° | 35.0° |
| N2 | C1 | H22 | H23 | 120.0° | 120.0° |
| N2 | C1 | H22 | H24 | 120.0° | 120.0° |
| N2 | C1 | H23 | H24 | 120.0° | 120.0° |
| N2 | C3 | C5 | O8 | 21.4° | 0.0° |
| N2 | C3 | C5 | C4 | 116.9° | 120.0° |
| N2 | C3 | C5 | H16 | 123.8° | 120.0° |
| N2 | C3 | C4 | H16 | 122.9° | 120.0° |
| N2 | C3 | C5 | N6 | 163.9° | 180.0° |
| N2 | C3 | C4 | H17 | 180.0° | 60.0° |
| N2 | C3 | C4 | H18 | 60.0° | 179.9° |
| N2 | C3 | C4 | H19 | 60.0° | 60.0° |
| C3 | N2 | C1 | H22 | 180.0° | 60.0° |
| C3 | N2 | C1 | H23 | 60.0° | 180.0° |
| C3 | N2 | C1 | H24 | 60.0° | 60.0° |
| O8 | C5 | C3 | N6 | 174.6° | 180.0° |
| O8 | C5 | C3 | C4 | 95.5° | 120.0° |
| O8 | C5 | N6 | C7 | 1.0° | 0.0° |
| O8 | C5 | N6 | H15 | 179.0° | 180.0° |
| O8 | C5 | C3 | H16 | 145.2° | 120.0° |
| C5 | C3 | C4 | H16 | 120.0° | 120.0° |
| C3 | C5 | N6 | C7 | 175.1° | 180.0° |
| C3 | C5 | N6 | H15 | 4.9° | 0.0° |
| C5 | C3 | C4 | H17 | 62.9° | 60.0° |
| C5 | C3 | C4 | H18 | 177.1° | 60.0° |
| C5 | C3 | C4 | H19 | 57.1° | 180.0° |
| C5 | C3 | N2 | H20 | 168.1° | 81.1° |
| C4 | C3 | C5 | N6 | 79.2° | 60.0° |
| C3 | C4 | H17 | H18 | 120.0° | 120.0° |
| C3 | C4 | H17 | H19 | 120.0° | 120.0° |
| C3 | C4 | H18 | H19 | 120.0° | 119.9° |
| C4 | C3 | N2 | H20 | 53.0° | 38.9° |
| C5 | N6 | C7 | H15 | 180.0° | 179.9° |
| C5 | N6 | C7 | C15 | 143.8° | 155.0° |
| C5 | N6 | C7 | C9 | 89.5° | 84.3° |
| C5 | N6 | C7 | H12 | 27.1° | 35.4° |
| N6 | C5 | C3 | H16 | 40.1° | 60.0° |
| C17 | C18 | C16 | H26 | 180.0° | 180.0° |
| C18 | C17 | C19 | H27 | 180.0° | 179.9° |
| C17 | C18 | C16 | C12 | 0.7° | 0.0° |
| C18 | C17 | C19 | C13 | 2.4° | 0.1° |
| C17 | C18 | C16 | H25 | 179.3° | 180.0° |
| C18 | C17 | C19 | H28 | 177.6° | 179.9° |
| C16 | C18 | C17 | C19 | 0.6° | 0.4° |
| C18 | C16 | C12 | H25 | 180.0° | 180.0° |
| C18 | C16 | C12 | C13 | 0.1° | 0.8° |
| C18 | C16 | C12 | N11 | 179.4° | 178.7° |
| C16 | C18 | C17 | H27 | 179.4° | 179.6° |
| C17 | C19 | C13 | H28 | 180.0° | 179.9° |
| C17 | C19 | C13 | C12 | 3.1° | 0.8° |
| C17 | C19 | C13 | N14 | 177.6° | 177.5° |
| C19 | C17 | C18 | H26 | 179.4° | 179.6° |
| N6 | C7 | C15 | C9 | 124.2° | 120.2° |
| N6 | C7 | C15 | H12 | 117.0° | 119.5° |
| N6 | C7 | C9 | H12 | 116.5° | 119.6° |
| N6 | C7 | C15 | N14 | 173.9° | 163.9° |
| N6 | C7 | C9 | N11 | 160.8° | 164.2° |
| N6 | C7 | C9 | O10 | 14.8° | 15.9° |
| N6 | C7 | C15 | H13 | 65.7° | 76.0° |
| N6 | C7 | C15 | H14 | 53.4° | 43.8° |
| C16 | C12 | C13 | C19 | 1.8° | 1.2° |
| C16 | C12 | C13 | N11 | 179.3° | 179.4° |
| C16 | C12 | C13 | N14 | 175.6° | 177.2° |
| C16 | C12 | N11 | C9 | 133.8° | 131.4° |
| C16 | C12 | N11 | C20 | 45.4° | 48.8° |
| C12 | C16 | C18 | H26 | 179.3° | 179.9° |
| C15 | C7 | C9 | H12 | 118.5° | 120.2° |
| C7 | C15 | N14 | H13 | 120.5° | 120.2° |
| C7 | C15 | N14 | H14 | 120.5° | 120.1° |
| C7 | C15 | N14 | C13 | 29.6° | 42.5° |
| C15 | C7 | C9 | N11 | 74.2° | 75.6° |
| C15 | C7 | C9 | O10 | 110.2° | 104.3° |
| C7 | C15 | N14 | C29 | 158.8° | 137.5° |
| C7 | C15 | H13 | H14 | 118.5° | 119.9° |
| C15 | C7 | N6 | H15 | 36.2° | 25.1° |
| C7 | C9 | N11 | C12 | 5.5° | 4.8° |
| C9 | C7 | C15 | N14 | 49.7° | 43.7° |
| C7 | C9 | N11 | O10 | 175.6° | 179.9° |
| C7 | C9 | N11 | C20 | 173.7° | 175.4° |
| C9 | C7 | C15 | H13 | 170.2° | 163.8° |
| C9 | C7 | C15 | H14 | 70.8° | 76.4° |
| C9 | C7 | N6 | H15 | 90.5° | 95.6° |
| C19 | C13 | C12 | N14 | 173.7° | 178.4° |
| C19 | C13 | C12 | N11 | 177.4° | 178.2° |
| C19 | C13 | N14 | C15 | 115.5° | 106.7° |
| C19 | C13 | N14 | C29 | 55.0° | 73.2° |
| C13 | C19 | C17 | H27 | 177.6° | 180.0° |
| C12 | C13 | N14 | C15 | 58.8° | 71.6° |
| C13 | C12 | N11 | C9 | 45.5° | 49.2° |
| C13 | C12 | N11 | C20 | 135.3° | 130.7° |
| C12 | C13 | N14 | C29 | 130.7° | 108.4° |
| C13 | C12 | C16 | H25 | 179.9° | 179.2° |
| C12 | C13 | C19 | H28 | 176.9° | 179.1° |
| N11 | C12 | C13 | N14 | 3.7° | 3.4° |
| C12 | N11 | C9 | C20 | 179.2° | 179.9° |
| C12 | N11 | C9 | O10 | 178.9° | 175.1° |
| C12 | N11 | C20 | C21 | 49.2° | 82.0° |
| C12 | N11 | C20 | H10 | 169.8° | 38.0° |
| C12 | N11 | C20 | H11 | 71.4° | 158.1° |
| N11 | C12 | C16 | H25 | 0.6° | 1.4° |
| C15 | N14 | C13 | C29 | 170.5° | 180.0° |
| C15 | N14 | C29 | O30 | 3.9° | 7.1° |
| C15 | N14 | C29 | C31 | 173.0° | 173.0° |
| N14 | C15 | C7 | H12 | 69.2° | 76.6° |
| N14 | C15 | H13 | H14 | 118.5° | 119.7° |
| C13 | N14 | C29 | O30 | 174.8° | 173.0° |
| C13 | N14 | C29 | C31 | 16.1° | 7.0° |
| C13 | N14 | C15 | H13 | 90.9° | 77.6° |
| C13 | N14 | C15 | H14 | 150.1° | 162.6° |
| N14 | C13 | C19 | H28 | 2.4° | 2.6° |
| C9 | N11 | C20 | C21 | 131.6° | 97.9° |
| C9 | N11 | C20 | H10 | 11.0° | 142.2° |
| C9 | N11 | C20 | H11 | 107.8° | 22.1° |
| N11 | C9 | C7 | H12 | 44.3° | 44.7° |
| O10 | C9 | N11 | C20 | 1.9° | 4.8° |
| O10 | C9 | C7 | H12 | 131.3° | 135.4° |
| N11 | C20 | C21 | H10 | 120.6° | 120.0° |
| N11 | C20 | C21 | H11 | 120.6° | 120.0° |
| N11 | C20 | C21 | C26 | 106.0° | 73.5° |
| N11 | C20 | C21 | C22 | 76.4° | 106.3° |
| N11 | C20 | H10 | H11 | 118.1° | 120.0° |
| N14 | C29 | O30 | C31 | 170.1° | 180.0° |
| N14 | C29 | C31 | C32 | 147.2° | 21.5° |
| N14 | C29 | C31 | C36 | 37.6° | 158.2° |
| C29 | N14 | C15 | H13 | 80.7° | 102.3° |
| C29 | N14 | C15 | H14 | 38.3° | 17.4° |
| C28 | O27 | C26 | C21 | 156.0° | 180.0° |
| C28 | O27 | C26 | C25 | 23.3° | 0.3° |
| O27 | C28 | H1 | H2 | 120.0° | 120.0° |
| O27 | C28 | H1 | H3 | 120.0° | 120.0° |
| O27 | C28 | H2 | H3 | 120.0° | 120.0° |
| O27 | C26 | C21 | C20 | 0.9° | 0.1° |
| O27 | C26 | C21 | C25 | 179.3° | 179.6° |
| O27 | C26 | C21 | C22 | 178.7° | 179.8° |
| O27 | C26 | C25 | C24 | 179.4° | 180.0° |
| C26 | O27 | C28 | H1 | 180.0° | 60.0° |
| C26 | O27 | C28 | H2 | 60.0° | 60.0° |
| C26 | O27 | C28 | H3 | 60.0° | 180.0° |
| O27 | C26 | C25 | H4 | 0.6° | 0.1° |
| C20 | C21 | C26 | C22 | 177.8° | 179.7° |
| C20 | C21 | C26 | C25 | 178.4° | 179.7° |
| C20 | C21 | C22 | C40 | 0.8° | 0.0° |
| C20 | C21 | C22 | C23 | 178.3° | 179.8° |
| C21 | C20 | H10 | H11 | 118.2° | 120.0° |
| O30 | C29 | C31 | C32 | 43.4° | 158.5° |
| O30 | C29 | C31 | C36 | 131.8° | 21.8° |
| C29 | C31 | C32 | C36 | 175.4° | 179.7° |
| C29 | C31 | C32 | C33 | 176.9° | 180.0° |
| C29 | C31 | C36 | C35 | 175.9° | 179.8° |
| C29 | C31 | C32 | H29 | 3.2° | 0.1° |
| C29 | C31 | C36 | H34 | 4.1° | 0.1° |
| C21 | C26 | C25 | C24 | 0.2° | 0.3° |
| C26 | C21 | C22 | C40 | 178.5° | 179.8° |
| C26 | C21 | C22 | C23 | 0.7° | 0.5° |
| C21 | C26 | C25 | H4 | 179.8° | 179.7° |
| C26 | C21 | C20 | H10 | 133.4° | 166.5° |
| C26 | C21 | C20 | H11 | 14.6° | 46.5° |
| C25 | C26 | C21 | C22 | 0.6° | 0.6° |
| C26 | C25 | C24 | H4 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.9° | 0.1° |
| C26 | C25 | C24 | H5 | 179.1° | 179.9° |
| C31 | C32 | C33 | H29 | 180.0° | 179.9° |
| C32 | C31 | C36 | C35 | 0.7° | 0.5° |
| C31 | C32 | C33 | C34 | 1.5° | 0.0° |
| C31 | C32 | C33 | H30 | 178.5° | 180.0° |
| C32 | C31 | C36 | H34 | 179.3° | 179.8° |
| C36 | C31 | C32 | C33 | 1.4° | 0.3° |
| C31 | C36 | C35 | H34 | 180.0° | 179.7° |
| C31 | C36 | C35 | C34 | 0.0° | 0.5° |
| C36 | C31 | C32 | H29 | 178.6° | 179.8° |
| C31 | C36 | C35 | H33 | 180.0° | 179.7° |
| C21 | C22 | C40 | C23 | 179.2° | 179.7° |
| C21 | C22 | C40 | C39 | 178.3° | 179.8° |
| C21 | C22 | C23 | C24 | 0.1° | 0.3° |
| C21 | C22 | C23 | C37 | 179.2° | 179.7° |
| C21 | C22 | C40 | H9 | 1.7° | 0.3° |
| C22 | C21 | C20 | H10 | 44.2° | 13.7° |
| C22 | C21 | C20 | H11 | 163.0° | 133.8° |
| C32 | C33 | C34 | H30 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.8° | 0.1° |
| C32 | C33 | C34 | N41 | 179.7° | 180.0° |
| C36 | C35 | C34 | C33 | 0.0° | 0.2° |
| C36 | C35 | C34 | H33 | 180.0° | 179.8° |
| C36 | C35 | C34 | N41 | 179.0° | 179.8° |
| C25 | C24 | C23 | C22 | 0.9° | 0.0° |
| C25 | C24 | C23 | H5 | 180.0° | 180.0° |
| C25 | C24 | C23 | C37 | 179.9° | 180.0° |
| C33 | C34 | C35 | N41 | 178.9° | 180.0° |
| C34 | C33 | C32 | H29 | 178.5° | 179.9° |
| C33 | C34 | N41 | H31 | 180.0° | 0.1° |
| C33 | C34 | N41 | H32 | 60.0° | 179.9° |
| C33 | C34 | C35 | H33 | 180.0° | 180.0° |
| C22 | C40 | C39 | H9 | 180.0° | 179.9° |
| C40 | C22 | C23 | C24 | 179.3° | 180.0° |
| C40 | C22 | C23 | C37 | 1.6° | 0.0° |
| C22 | C40 | C39 | C38 | 2.9° | 0.0° |
| C22 | C40 | C39 | H8 | 177.1° | 180.0° |
| C23 | C22 | C40 | C39 | 0.9° | 0.0° |
| C22 | C23 | C24 | C37 | 179.2° | 180.0° |
| C22 | C23 | C37 | C38 | 2.3° | 0.0° |
| C22 | C23 | C24 | H5 | 179.1° | 180.0° |
| C22 | C23 | C37 | H6 | 177.6° | 180.0° |
| C23 | C22 | C40 | H9 | 179.1° | 180.0° |
| C35 | C34 | C33 | H30 | 179.2° | 180.0° |
| C35 | C34 | N41 | H31 | 1.1° | 179.9° |
| C35 | C34 | N41 | H32 | 118.9° | 0.0° |
| C34 | C35 | C36 | H34 | 180.0° | 179.8° |
| C40 | C39 | C38 | H8 | 180.0° | 180.0° |
| C40 | C39 | C38 | C37 | 2.1° | 0.0° |
| C40 | C39 | C38 | H7 | 177.9° | 180.0° |
| N41 | C34 | C33 | H30 | 0.3° | 0.0° |
| C34 | N41 | H31 | H32 | 120.0° | 179.9° |
| N41 | C34 | C35 | H33 | 1.1° | 0.0° |
| C24 | C23 | C37 | C38 | 178.5° | 180.0° |
| C23 | C24 | C25 | H4 | 179.1° | 180.0° |
| C24 | C23 | C37 | H6 | 1.5° | 0.1° |
| C23 | C37 | C38 | C39 | 0.5° | 0.0° |
| C23 | C37 | C38 | H6 | 180.0° | 180.0° |
| C37 | C23 | C24 | H5 | 0.0° | 0.1° |
| C23 | C37 | C38 | H7 | 179.5° | 180.0° |
| C39 | C38 | C37 | H7 | 180.0° | 180.0° |
| C39 | C38 | C37 | H6 | 179.5° | 180.0° |
| C38 | C39 | C40 | H9 | 177.1° | 180.0° |
| C37 | C38 | C39 | H8 | 177.9° | 180.0° |
| H1 | C28 | H2 | H3 | 120.0° | 120.0° |
| H4 | C25 | C24 | H5 | 0.9° | 0.0° |
| H6 | C37 | C38 | H7 | 0.5° | 0.0° |
| H7 | C38 | C39 | H8 | 2.1° | 0.0° |
| H8 | C39 | C40 | H9 | 2.9° | 0.0° |
| H12 | C7 | C15 | H13 | 51.3° | 43.6° |
| H12 | C7 | C15 | H14 | 170.3° | 163.4° |
| H12 | C7 | N6 | H15 | 152.9° | 144.7° |
| H16 | C3 | C4 | H17 | 57.1° | 180.0° |
| H16 | C3 | C4 | H18 | 62.9° | 59.9° |
| H16 | C3 | C4 | H19 | 177.1° | 60.0° |
| H16 | C3 | N2 | H20 | 68.7° | 158.9° |
| H17 | C4 | H18 | H19 | 120.0° | 120.0° |
| H20 | N2 | C1 | H22 | 59.3° | 176.0° |
| H20 | N2 | C1 | H23 | 60.7° | 56.0° |
| H20 | N2 | C1 | H24 | 179.3° | 64.0° |
| H22 | C1 | H23 | H24 | 120.0° | 120.0° |
| H25 | C16 | C18 | H26 | 0.7° | 0.0° |
| H26 | C18 | C17 | H27 | 0.6° | 0.5° |
| H27 | C17 | C19 | H28 | 2.4° | 0.1° |
| H29 | C32 | C33 | H30 | 1.5° | 0.0° |
| H33 | C35 | C36 | H34 | 0.1° | 0.0° |
