OJN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | doub | 1.36Å | 1.36Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.36Å | 1.35Å | Aromatic |
| O1 | C18 | sing | 1.43Å | 1.43Å | |
| O1 | C11 | sing | 1.36Å | 1.35Å | |
| C10 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | C9 | doub | 1.42Å | 1.43Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.38Å | Aromatic |
| C14 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C13 | doub | 1.36Å | 1.35Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C6 | sing | 1.47Å | 1.47Å | |
| N3 | C5 | sing | 1.47Å | 1.47Å | |
| C6 | C3 | sing | 1.50Å | 1.50Å | |
| C5 | C4 | sing | 1.54Å | 1.51Å | |
| C4 | C2 | sing | 1.51Å | 1.49Å | |
| C3 | C2 | doub | 1.36Å | 1.40Å | Aromatic |
| C3 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | N2 | sing | 1.34Å | 1.36Å | Aromatic |
| C28 | N5 | sing | 1.47Å | 1.47Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C1 | C19 | sing | 1.48Å | 1.46Å | |
| C1 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C19 | N4 | sing | 1.35Å | 1.32Å | |
| C19 | O2 | doub | 1.22Å | 1.25Å | |
| N4 | C20 | sing | 1.46Å | 1.46Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| N2 | N1 | sing | 1.29Å | 1.37Å | Aromatic |
| N2 | C27 | sing | 1.46Å | 1.46Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | S1 | sing | 1.76Å | 1.76Å | |
| S1 | C29 | sing | 1.81Å | 1.79Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| N5 | H30 | sing | 1.01Å | 1.00Å | |
| N5 | H29 | sing | 1.01Å | 1.00Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 120.2° | 121.0° |
| C16 | C17 | C10 | 119.6° | 119.6° |
| C16 | C17 | H14 | 120.2° | 120.2° |
| C17 | C16 | H13 | 119.9° | 119.5° |
| C16 | C15 | C14 | 122.0° | 121.0° |
| C16 | C15 | H12 | 119.0° | 119.5° |
| C15 | C16 | H13 | 119.9° | 119.5° |
| C17 | C10 | C11 | 121.0° | 121.3° |
| C17 | C10 | C9 | 120.8° | 119.4° |
| C10 | C17 | H14 | 120.2° | 120.1° |
| C15 | C14 | C9 | 120.2° | 119.6° |
| C14 | C15 | H12 | 119.0° | 119.5° |
| C15 | C14 | H11 | 119.9° | 120.2° |
| C18 | O1 | C11 | 119.7° | 117.0° |
| O1 | C18 | H17 | 109.5° | 109.5° |
| O1 | C18 | H15 | 109.4° | 109.4° |
| O1 | C18 | H16 | 109.5° | 109.4° |
| O1 | C11 | C10 | 114.1° | 120.3° |
| O1 | C11 | C12 | 125.7° | 120.2° |
| C11 | C10 | C9 | 118.1° | 119.4° |
| C10 | C11 | C12 | 120.2° | 119.5° |
| C10 | C9 | C14 | 117.2° | 119.4° |
| C10 | C9 | C8 | 120.4° | 119.3° |
| C11 | C12 | C13 | 119.8° | 120.9° |
| C11 | C12 | H9 | 120.1° | 119.6° |
| C14 | C9 | C8 | 122.5° | 121.3° |
| C9 | C14 | H11 | 119.9° | 120.2° |
| C9 | C8 | C13 | 118.0° | 119.8° |
| C9 | C8 | C7 | 121.2° | 120.1° |
| C12 | C13 | C8 | 123.5° | 121.1° |
| C12 | C13 | H10 | 118.2° | 119.4° |
| C13 | C12 | H9 | 120.1° | 119.5° |
| C13 | C8 | C7 | 120.8° | 120.1° |
| C8 | C13 | H10 | 118.2° | 119.5° |
| C8 | C7 | N3 | 114.6° | 109.5° |
| C8 | C7 | H8 | 108.2° | 109.5° |
| C8 | C7 | H7 | 108.2° | 109.5° |
| C7 | N3 | C6 | 109.6° | 111.0° |
| C7 | N3 | C5 | 108.4° | 111.0° |
| N3 | C7 | H8 | 108.2° | 109.4° |
| N3 | C7 | H7 | 108.2° | 109.5° |
| C6 | N3 | C5 | 113.4° | 111.5° |
| N3 | C6 | C3 | 108.9° | 108.2° |
| N3 | C6 | H6 | 109.6° | 109.7° |
| N3 | C6 | H5 | 109.6° | 109.7° |
| N3 | C5 | C4 | 112.1° | 109.8° |
| N3 | C5 | H4 | 108.8° | 109.4° |
| N3 | C5 | H3 | 108.8° | 109.4° |
| C6 | C3 | C2 | 121.6° | 123.9° |
| C6 | C3 | C1 | 133.3° | 130.2° |
| C3 | C6 | H6 | 109.6° | 109.7° |
| C3 | C6 | H5 | 109.6° | 109.7° |
| C5 | C4 | C2 | 108.2° | 107.8° |
| C5 | C4 | H2 | 109.8° | 109.8° |
| C5 | C4 | H1 | 109.8° | 109.8° |
| C4 | C5 | H4 | 108.8° | 109.4° |
| C4 | C5 | H3 | 108.8° | 109.4° |
| C4 | C2 | C3 | 125.0° | 122.9° |
| C4 | C2 | N2 | 127.6° | 129.8° |
| C2 | C4 | H2 | 109.8° | 109.8° |
| C2 | C4 | H1 | 109.8° | 109.8° |
| C2 | C3 | C1 | 105.1° | 105.9° |
| C3 | C2 | N2 | 107.4° | 107.3° |
| C3 | C1 | C19 | 125.6° | 126.7° |
| C3 | C1 | N1 | 111.2° | 106.7° |
| C2 | N2 | N1 | 110.8° | 110.0° |
| C2 | N2 | C27 | 126.8° | 125.0° |
| N5 | C28 | C27 | 112.6° | 109.4° |
| N5 | C28 | H28 | 108.7° | 109.5° |
| N5 | C28 | H27 | 108.7° | 109.4° |
| C28 | N5 | H30 | 109.5° | 110.9° |
| C28 | N5 | H29 | 109.5° | 111.0° |
| C28 | C27 | N2 | 114.3° | 109.4° |
| C27 | C28 | H28 | 108.7° | 109.5° |
| C27 | C28 | H27 | 108.7° | 109.5° |
| C28 | C27 | H26 | 108.3° | 109.5° |
| C28 | C27 | H25 | 108.3° | 109.5° |
| C19 | C1 | N1 | 123.1° | 126.6° |
| C1 | C19 | N4 | 116.8° | 120.0° |
| C1 | C19 | O2 | 120.3° | 120.0° |
| C1 | N1 | N2 | 105.6° | 110.1° |
| N4 | C19 | O2 | 122.9° | 120.0° |
| C19 | N4 | C20 | 121.0° | 120.0° |
| C19 | N4 | H18 | 119.5° | 120.0° |
| N4 | C20 | C21 | 115.5° | 109.5° |
| N4 | C20 | H19 | 107.9° | 109.5° |
| N4 | C20 | H20 | 108.0° | 109.5° |
| C20 | N4 | H18 | 119.5° | 120.0° |
| C20 | C21 | C22 | 117.7° | 119.9° |
| C20 | C21 | C26 | 123.5° | 119.9° |
| C21 | C20 | H19 | 108.0° | 109.4° |
| C21 | C20 | H20 | 107.9° | 109.5° |
| N1 | N2 | C27 | 122.4° | 125.0° |
| N2 | C27 | H26 | 108.2° | 109.5° |
| N2 | C27 | H25 | 108.2° | 109.5° |
| C22 | C21 | C26 | 118.5° | 120.2° |
| C21 | C22 | C23 | 120.0° | 120.1° |
| C21 | C22 | H21 | 120.0° | 120.0° |
| C21 | C26 | C25 | 121.5° | 120.0° |
| C21 | C26 | H24 | 119.3° | 120.0° |
| C22 | C23 | C24 | 121.4° | 119.9° |
| C23 | C22 | H21 | 120.0° | 120.0° |
| C22 | C23 | H22 | 119.3° | 120.0° |
| C26 | C25 | C24 | 119.7° | 119.9° |
| C25 | C26 | H24 | 119.3° | 120.0° |
| C26 | C25 | H23 | 120.1° | 120.0° |
| C23 | C24 | C25 | 118.7° | 119.8° |
| C23 | C24 | S1 | 118.8° | 120.1° |
| C24 | C23 | H22 | 119.3° | 120.1° |
| C25 | C24 | S1 | 122.4° | 120.1° |
| C24 | C25 | H23 | 120.1° | 120.0° |
| C24 | S1 | C29 | 106.0° | 103.0° |
| S1 | C29 | H31 | 109.5° | 109.5° |
| S1 | C29 | H32 | 109.5° | 109.4° |
| S1 | C29 | H33 | 109.5° | 109.4° |
| H2 | C4 | H1 | 109.5° | 109.8° |
| H4 | C5 | H3 | 109.5° | 109.3° |
| H6 | C6 | H5 | 109.5° | 109.7° |
| H8 | C7 | H7 | 109.5° | 109.4° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H28 | C28 | H27 | 109.5° | 109.5° |
| H17 | C18 | H15 | 109.4° | 109.6° |
| H17 | C18 | H16 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.4° |
| H26 | C27 | H25 | 109.5° | 109.4° |
| H30 | N5 | H29 | 109.5° | 111.0° |
| H31 | C29 | H32 | 109.5° | 109.5° |
| H31 | C29 | H33 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H13 | 180.0° | 179.5° |
| C16 | C17 | C10 | H14 | 180.0° | 179.8° |
| C17 | C16 | C15 | C14 | 1.1° | 0.3° |
| C16 | C17 | C10 | C11 | 179.6° | 179.8° |
| C16 | C17 | C10 | C9 | 1.2° | 0.6° |
| C17 | C16 | C15 | H12 | 178.9° | 179.7° |
| C15 | C16 | C17 | C10 | 0.5° | 0.6° |
| C16 | C15 | C14 | H12 | 180.0° | 180.0° |
| C16 | C15 | C14 | C9 | 0.1° | 0.0° |
| C15 | C16 | C17 | H14 | 179.5° | 179.2° |
| C16 | C15 | C14 | H11 | 179.9° | 180.0° |
| C17 | C10 | C11 | O1 | 0.1° | 0.8° |
| C17 | C10 | C11 | C9 | 179.2° | 179.2° |
| C17 | C10 | C11 | C12 | 179.9° | 180.0° |
| C17 | C10 | C9 | C14 | 2.3° | 0.3° |
| C17 | C10 | C9 | C8 | 178.8° | 179.7° |
| C10 | C17 | C16 | H13 | 179.5° | 179.9° |
| C15 | C14 | C9 | C10 | 1.7° | 0.0° |
| C15 | C14 | C9 | H11 | 180.0° | 180.0° |
| C15 | C14 | C9 | C8 | 179.3° | 180.0° |
| C14 | C15 | C16 | H13 | 178.9° | 179.8° |
| C18 | O1 | C11 | C10 | 173.8° | 180.0° |
| C18 | O1 | C11 | C12 | 6.2° | 0.8° |
| O1 | C18 | H17 | H15 | 120.0° | 120.0° |
| O1 | C18 | H17 | H16 | 120.1° | 120.0° |
| O1 | C18 | H15 | H16 | 120.0° | 119.9° |
| O1 | C11 | C10 | C12 | 180.0° | 179.2° |
| O1 | C11 | C10 | C9 | 179.3° | 180.0° |
| O1 | C11 | C12 | C13 | 179.6° | 179.8° |
| O1 | C11 | C12 | H9 | 0.4° | 0.8° |
| C11 | O1 | C18 | H17 | 180.0° | 180.0° |
| C11 | O1 | C18 | H15 | 60.0° | 59.9° |
| C11 | O1 | C18 | H16 | 60.0° | 59.9° |
| C11 | C10 | C9 | C14 | 178.5° | 179.5° |
| C11 | C10 | C9 | C8 | 0.5° | 0.5° |
| C10 | C11 | C12 | C13 | 0.4° | 0.6° |
| C11 | C10 | C17 | H14 | 0.4° | 0.0° |
| C10 | C11 | C12 | H9 | 179.6° | 180.0° |
| C9 | C10 | C11 | C12 | 0.7° | 0.8° |
| C10 | C9 | C14 | C8 | 179.0° | 180.0° |
| C10 | C9 | C8 | C13 | 1.9° | 0.0° |
| C10 | C9 | C8 | C7 | 178.1° | 179.7° |
| C9 | C10 | C17 | H14 | 178.8° | 179.2° |
| C10 | C9 | C14 | H11 | 178.3° | 180.0° |
| C11 | C12 | C13 | H9 | 180.0° | 179.4° |
| C11 | C12 | C13 | C8 | 1.1° | 0.0° |
| C11 | C12 | C13 | H10 | 178.9° | 180.0° |
| C14 | C9 | C8 | C13 | 177.0° | 180.0° |
| C14 | C9 | C8 | C7 | 2.9° | 0.3° |
| C9 | C14 | C15 | H12 | 179.9° | 180.0° |
| C9 | C8 | C13 | C12 | 2.2° | 0.2° |
| C9 | C8 | C13 | C7 | 180.0° | 179.7° |
| C9 | C8 | C7 | N3 | 82.6° | 74.7° |
| C9 | C8 | C7 | H8 | 156.7° | 165.3° |
| C9 | C8 | C7 | H7 | 38.2° | 45.3° |
| C9 | C8 | C13 | H10 | 177.8° | 179.7° |
| C8 | C9 | C14 | H11 | 0.6° | 0.0° |
| C12 | C13 | C8 | H10 | 180.0° | 180.0° |
| C12 | C13 | C8 | C7 | 177.8° | 180.0° |
| C13 | C8 | C7 | N3 | 97.4° | 105.6° |
| C13 | C8 | C7 | H8 | 23.4° | 14.4° |
| C13 | C8 | C7 | H7 | 141.9° | 134.4° |
| C8 | C13 | C12 | H9 | 178.9° | 179.4° |
| C8 | C7 | N3 | H8 | 120.8° | 120.0° |
| C8 | C7 | N3 | H7 | 120.7° | 120.1° |
| C8 | C7 | N3 | C6 | 69.8° | 164.2° |
| C8 | C7 | N3 | C5 | 165.9° | 71.2° |
| C8 | C7 | H8 | H7 | 117.7° | 120.1° |
| C7 | C8 | C13 | H10 | 2.2° | 0.0° |
| C7 | N3 | C6 | C5 | 121.2° | 124.3° |
| C7 | N3 | C6 | C3 | 170.7° | 175.2° |
| C7 | N3 | C5 | C4 | 170.9° | 164.4° |
| C7 | N3 | C5 | H4 | 68.7° | 75.5° |
| C7 | N3 | C5 | H3 | 50.5° | 44.2° |
| C7 | N3 | C6 | H6 | 69.4° | 65.1° |
| C7 | N3 | C6 | H5 | 50.7° | 55.6° |
| N3 | C7 | H8 | H7 | 117.6° | 119.9° |
| N3 | C6 | C3 | H6 | 119.9° | 119.7° |
| N3 | C6 | C3 | H5 | 119.9° | 119.7° |
| C6 | N3 | C5 | C4 | 67.2° | 71.3° |
| N3 | C6 | C3 | C2 | 16.7° | 16.2° |
| N3 | C6 | C3 | C1 | 161.6° | 163.8° |
| C6 | N3 | C5 | H4 | 53.2° | 48.8° |
| C6 | N3 | C5 | H3 | 172.4° | 168.6° |
| N3 | C6 | H6 | H5 | 120.3° | 120.6° |
| C6 | N3 | C7 | H8 | 50.9° | 75.8° |
| C6 | N3 | C7 | H7 | 169.4° | 44.1° |
| C5 | N3 | C6 | C3 | 49.4° | 50.9° |
| N3 | C5 | C4 | H4 | 120.4° | 120.1° |
| N3 | C5 | C4 | H3 | 120.4° | 120.2° |
| N3 | C5 | C4 | C2 | 44.1° | 49.2° |
| N3 | C5 | C4 | H2 | 163.9° | 168.9° |
| N3 | C5 | C4 | H1 | 75.7° | 70.3° |
| N3 | C5 | H4 | H3 | 118.8° | 119.8° |
| C5 | N3 | C6 | H6 | 169.3° | 170.6° |
| C5 | N3 | C6 | H5 | 70.5° | 68.8° |
| C5 | N3 | C7 | H8 | 73.3° | 48.8° |
| C5 | N3 | C7 | H7 | 45.2° | 168.7° |
| C6 | C3 | C2 | C4 | 0.5° | 0.2° |
| C6 | C3 | C2 | C1 | 178.7° | 180.0° |
| C6 | C3 | C2 | N2 | 179.0° | 179.8° |
| C6 | C3 | C1 | C19 | 5.1° | 0.2° |
| C6 | C3 | C1 | N1 | 178.9° | 179.9° |
| C3 | C6 | H6 | H5 | 120.3° | 120.6° |
| C5 | C4 | C2 | H2 | 119.8° | 119.6° |
| C5 | C4 | C2 | H1 | 119.8° | 119.6° |
| C5 | C4 | C2 | C3 | 12.8° | 15.9° |
| C5 | C4 | C2 | N2 | 167.8° | 164.0° |
| C5 | C4 | H2 | H1 | 120.6° | 120.9° |
| C4 | C5 | H4 | H3 | 118.8° | 119.8° |
| C4 | C2 | C3 | N2 | 179.5° | 179.9° |
| C4 | C2 | C3 | C1 | 179.2° | 179.8° |
| C4 | C2 | N2 | N1 | 179.4° | 179.8° |
| C4 | C2 | N2 | C27 | 2.4° | 0.3° |
| C2 | C4 | H2 | H1 | 120.6° | 120.8° |
| C2 | C4 | C5 | H4 | 76.3° | 70.8° |
| C2 | C4 | C5 | H3 | 164.5° | 169.4° |
| C2 | C3 | C1 | C19 | 176.4° | 179.8° |
| C2 | C3 | C1 | N1 | 0.4° | 0.1° |
| C3 | C2 | N2 | N1 | 0.1° | 0.2° |
| C3 | C2 | N2 | C27 | 178.1° | 179.8° |
| C3 | C2 | C4 | H2 | 132.6° | 135.6° |
| C3 | C2 | C4 | H1 | 107.0° | 103.6° |
| C2 | C3 | C6 | H6 | 136.7° | 135.9° |
| C2 | C3 | C6 | H5 | 103.2° | 103.5° |
| C1 | C3 | C2 | N2 | 0.2° | 0.2° |
| C3 | C1 | C19 | N1 | 175.6° | 179.9° |
| C3 | C1 | C19 | N4 | 154.3° | 180.0° |
| C3 | C1 | C19 | O2 | 26.1° | 0.0° |
| C3 | C1 | N1 | N2 | 0.3° | 0.0° |
| C1 | C3 | C6 | H6 | 41.6° | 44.1° |
| C1 | C3 | C6 | H5 | 78.5° | 76.5° |
| C2 | N2 | C27 | C28 | 112.0° | 90.0° |
| C2 | N2 | N1 | C1 | 0.2° | 0.1° |
| C2 | N2 | N1 | C27 | 178.3° | 179.9° |
| N2 | C2 | C4 | H2 | 48.0° | 44.4° |
| N2 | C2 | C4 | H1 | 72.4° | 76.4° |
| C2 | N2 | C27 | H26 | 8.7° | 149.9° |
| C2 | N2 | C27 | H25 | 127.3° | 30.0° |
| N5 | C28 | C27 | H28 | 120.5° | 120.0° |
| N5 | C28 | C27 | H27 | 120.5° | 119.9° |
| N5 | C28 | C27 | N2 | 58.7° | 180.0° |
| N5 | C28 | H28 | H27 | 118.5° | 119.9° |
| N5 | C28 | C27 | H26 | 179.3° | 60.1° |
| N5 | C28 | C27 | H25 | 62.0° | 60.0° |
| C28 | N5 | H30 | H29 | 120.0° | 123.9° |
| C28 | C27 | N2 | N1 | 70.0° | 90.0° |
| C28 | C27 | N2 | H26 | 120.7° | 120.0° |
| C28 | C27 | N2 | H25 | 120.7° | 120.0° |
| C27 | C28 | H28 | H27 | 118.6° | 120.1° |
| C28 | C27 | H26 | H25 | 117.8° | 120.1° |
| C27 | C28 | N5 | H30 | 180.0° | 56.1° |
| C27 | C28 | N5 | H29 | 60.0° | 180.0° |
| C1 | C19 | N4 | O2 | 179.5° | 180.0° |
| C1 | C19 | N4 | C20 | 173.4° | 180.0° |
| C19 | C1 | N1 | N2 | 176.4° | 179.9° |
| C1 | C19 | N4 | H18 | 6.6° | 0.1° |
| N1 | C1 | C19 | N4 | 30.1° | 0.1° |
| N1 | C1 | C19 | O2 | 149.4° | 179.9° |
| C1 | N1 | N2 | C27 | 178.4° | 179.8° |
| C19 | N4 | C20 | H18 | 180.0° | 179.9° |
| C19 | N4 | C20 | C21 | 93.3° | 180.0° |
| C19 | N4 | C20 | H19 | 145.8° | 60.0° |
| C19 | N4 | C20 | H20 | 27.5° | 60.0° |
| O2 | C19 | N4 | C20 | 7.1° | 0.0° |
| O2 | C19 | N4 | H18 | 172.9° | 179.9° |
| N4 | C20 | C21 | H19 | 120.9° | 120.0° |
| N4 | C20 | C21 | H20 | 120.9° | 120.0° |
| N4 | C20 | C21 | C22 | 174.8° | 90.0° |
| N4 | C20 | C21 | C26 | 0.9° | 90.3° |
| N4 | C20 | H19 | H20 | 117.3° | 120.0° |
| C20 | C21 | C22 | C26 | 174.2° | 179.7° |
| C20 | C21 | C22 | C23 | 177.1° | 180.0° |
| C20 | C21 | C26 | C25 | 176.9° | 180.0° |
| C21 | C20 | H19 | H20 | 117.2° | 120.0° |
| C20 | C21 | C22 | H21 | 2.9° | 0.0° |
| C20 | C21 | C26 | H24 | 3.1° | 0.0° |
| C21 | C20 | N4 | H18 | 86.7° | 0.1° |
| N1 | N2 | C27 | H26 | 169.3° | 30.0° |
| N1 | N2 | C27 | H25 | 50.7° | 149.9° |
| N2 | C27 | C28 | H28 | 61.8° | 60.0° |
| N2 | C27 | C28 | H27 | 179.1° | 60.0° |
| N2 | C27 | H26 | H25 | 117.8° | 120.0° |
| C21 | C22 | C23 | H21 | 180.0° | 179.9° |
| C22 | C21 | C26 | C25 | 3.0° | 0.3° |
| C21 | C22 | C23 | C24 | 3.6° | 0.1° |
| C22 | C21 | C20 | H19 | 53.9° | 150.0° |
| C22 | C21 | C20 | H20 | 64.3° | 30.0° |
| C22 | C21 | C26 | H24 | 177.0° | 179.7° |
| C21 | C22 | C23 | H22 | 176.4° | 179.9° |
| C26 | C21 | C22 | C23 | 2.9° | 0.3° |
| C21 | C26 | C25 | H24 | 180.0° | 180.0° |
| C21 | C26 | C25 | C24 | 3.9° | 0.0° |
| C26 | C21 | C20 | H19 | 120.0° | 29.7° |
| C26 | C21 | C20 | H20 | 121.8° | 149.7° |
| C26 | C21 | C22 | H21 | 177.1° | 179.7° |
| C21 | C26 | C25 | H23 | 176.1° | 180.0° |
| C22 | C23 | C24 | H22 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 4.4° | 0.2° |
| C22 | C23 | C24 | S1 | 179.7° | 180.0° |
| C26 | C25 | C24 | C23 | 4.4° | 0.2° |
| C26 | C25 | C24 | H23 | 180.0° | 180.0° |
| C26 | C25 | C24 | S1 | 179.8° | 179.9° |
| C23 | C24 | C25 | S1 | 175.7° | 179.9° |
| C23 | C24 | S1 | C29 | 100.5° | 180.0° |
| C24 | C23 | C22 | H21 | 176.4° | 180.0° |
| C23 | C24 | C25 | H23 | 175.6° | 179.8° |
| C25 | C24 | S1 | C29 | 83.8° | 0.2° |
| C24 | C25 | C26 | H24 | 176.1° | 180.0° |
| C25 | C24 | C23 | H22 | 175.6° | 179.8° |
| S1 | C24 | C23 | H22 | 0.2° | 0.0° |
| S1 | C24 | C25 | H23 | 0.2° | 0.1° |
| C24 | S1 | C29 | H31 | 180.0° | 60.0° |
| C24 | S1 | C29 | H32 | 60.0° | 60.1° |
| C24 | S1 | C29 | H33 | 60.0° | 180.0° |
| S1 | C29 | H31 | H32 | 120.0° | 120.0° |
| S1 | C29 | H31 | H33 | 120.0° | 120.0° |
| S1 | C29 | H32 | H33 | 120.0° | 119.9° |
| H2 | C4 | C5 | H4 | 43.5° | 48.8° |
| H2 | C4 | C5 | H3 | 75.7° | 71.0° |
| H1 | C4 | C5 | H4 | 163.9° | 169.6° |
| H1 | C4 | C5 | H3 | 44.7° | 49.9° |
| H10 | C13 | C12 | H9 | 1.1° | 0.6° |
| H12 | C15 | C14 | H11 | 0.0° | 0.0° |
| H12 | C15 | C16 | H13 | 1.1° | 0.2° |
| H14 | C17 | C16 | H13 | 0.5° | 0.3° |
| H19 | C20 | N4 | H18 | 34.2° | 119.9° |
| H20 | C20 | N4 | H18 | 152.4° | 120.1° |
| H21 | C22 | C23 | H22 | 3.6° | 0.0° |
| H24 | C26 | C25 | H23 | 3.9° | 0.1° |
| H28 | C28 | C27 | H26 | 58.9° | 60.0° |
| H28 | C28 | C27 | H25 | 177.5° | 180.0° |
| H28 | C28 | N5 | H30 | 59.5° | 63.9° |
| H28 | C28 | N5 | H29 | 60.5° | 60.0° |
| H27 | C28 | C27 | H26 | 60.2° | 180.0° |
| H27 | C28 | C27 | H25 | 58.4° | 59.9° |
| H27 | C28 | N5 | H30 | 59.5° | 176.1° |
| H27 | C28 | N5 | H29 | 179.5° | 60.0° |
| H17 | C18 | H15 | H16 | 120.0° | 120.1° |
| H31 | C29 | H32 | H33 | 120.0° | 120.0° |
