4MJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C3 | sing | 1.51Å | 1.50Å | |
| C18 | C16 | sing | 1.53Å | 1.50Å | |
| C13 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C5 | sing | 1.39Å | 1.47Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.54Å | 1.49Å | |
| C16 | C5 | sing | 1.50Å | 1.53Å | |
| C16 | C19 | sing | 1.53Å | 1.47Å | |
| C5 | C15 | doub | 1.39Å | 1.45Å | Aromatic |
| C1 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.52Å | 1.51Å | |
| C15 | C12 | sing | 1.40Å | 1.37Å | Aromatic |
| C15 | N3 | sing | 1.40Å | 1.45Å | |
| C12 | N2 | sing | 1.41Å | 1.41Å | |
| C20 | N3 | sing | 1.46Å | 1.39Å | |
| C20 | C23 | sing | 1.51Å | 1.45Å | |
| N3 | C21 | sing | 1.41Å | 1.40Å | |
| O7 | C10 | sing | 1.43Å | 1.43Å | |
| N2 | C11 | sing | 1.47Å | 1.42Å | |
| N2 | C4 | sing | 1.38Å | 1.34Å | |
| C23 | O10 | doub | 1.21Å | 1.29Å | |
| C23 | C24 | sing | 1.51Å | 1.41Å | |
| C21 | C4 | doub | 1.37Å | 1.39Å | |
| C21 | C22 | sing | 1.40Å | 1.40Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C4 | N4 | sing | 1.37Å | 1.34Å | |
| O8 | C22 | doub | 1.22Å | 1.24Å | |
| C22 | N1 | sing | 1.35Å | 1.42Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | O6 | sing | 1.43Å | 1.44Å | |
| C8 | O5 | sing | 1.43Å | 1.44Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C25 | C30 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| N4 | C6 | sing | 1.35Å | 1.32Å | |
| O4 | C7 | sing | 1.43Å | 1.47Å | |
| O4 | P1 | sing | 1.61Å | 1.59Å | |
| C30 | C29 | sing | 1.38Å | 1.47Å | Aromatic |
| N1 | C6 | sing | 1.34Å | 1.32Å | |
| C6 | O9 | doub | 1.22Å | 1.32Å | |
| O2 | P1 | doub | 1.48Å | 1.49Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| P1 | O3 | sing | 1.61Å | 1.54Å | |
| P1 | O1 | sing | 1.61Å | 1.53Å | |
| C29 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.34Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| O5 | H8 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O6 | H10 | sing | 0.97Å | 0.95Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| O7 | H12 | sing | 0.97Å | 0.95Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.10Å | 1.10Å | |
| C19 | H28 | sing | 1.10Å | 1.10Å | |
| C20 | H29 | sing | 1.10Å | 1.10Å | |
| N4 | H30 | sing | 0.97Å | 1.00Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.08Å | 1.08Å | |
| C27 | H36 | sing | 1.08Å | 1.08Å | |
| C28 | H37 | sing | 1.08Å | 1.08Å | |
| C29 | H38 | sing | 1.08Å | 1.08Å | |
| C30 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C3 | C2 | 116.2° | 115.0° |
| C14 | C3 | C5 | 123.1° | 124.4° |
| C3 | C14 | H18 | 109.5° | 109.5° |
| C3 | C14 | H19 | 109.4° | 109.5° |
| C3 | C14 | H20 | 109.4° | 109.4° |
| C18 | C16 | C17 | 109.6° | 108.0° |
| C18 | C16 | C5 | 114.7° | 111.4° |
| C18 | C16 | C19 | 107.3° | 107.7° |
| C16 | C18 | H24 | 109.5° | 109.5° |
| C16 | C18 | H25 | 109.5° | 109.5° |
| C16 | C18 | H26 | 109.5° | 109.5° |
| C13 | C2 | C3 | 122.7° | 118.9° |
| C13 | C2 | C1 | 116.5° | 119.8° |
| C2 | C13 | H15 | 109.5° | 109.4° |
| C2 | C13 | H16 | 109.5° | 109.5° |
| C2 | C13 | H17 | 109.5° | 109.4° |
| C2 | C3 | C5 | 120.7° | 120.6° |
| C3 | C2 | C1 | 120.8° | 121.3° |
| C3 | C5 | C16 | 129.9° | 122.2° |
| C3 | C5 | C15 | 115.0° | 117.7° |
| C2 | C1 | C12 | 120.1° | 119.1° |
| C2 | C1 | H1 | 120.0° | 118.9° |
| C17 | C16 | C5 | 105.8° | 108.8° |
| C17 | C16 | C19 | 114.7° | 105.9° |
| C16 | C17 | H21 | 109.5° | 109.5° |
| C16 | C17 | H22 | 109.4° | 109.4° |
| C16 | C17 | H23 | 109.4° | 109.5° |
| C5 | C16 | C19 | 104.9° | 114.7° |
| C16 | C5 | C15 | 115.0° | 120.0° |
| C16 | C19 | C20 | 113.6° | 113.5° |
| C16 | C19 | H27 | 108.4° | 108.6° |
| C16 | C19 | H28 | 108.4° | 108.7° |
| C5 | C15 | C12 | 123.7° | 121.8° |
| C5 | C15 | N3 | 117.2° | 121.1° |
| C1 | C12 | C15 | 119.5° | 119.4° |
| C1 | C12 | N2 | 121.2° | 120.9° |
| C12 | C1 | H1 | 120.0° | 122.0° |
| C19 | C20 | N3 | 112.2° | 107.9° |
| C19 | C20 | C23 | 107.7° | 112.3° |
| C20 | C19 | H27 | 108.4° | 109.3° |
| C20 | C19 | H28 | 108.4° | 109.4° |
| C19 | C20 | H29 | 106.6° | 109.1° |
| C12 | C15 | N3 | 119.0° | 117.0° |
| C15 | C12 | N2 | 119.3° | 119.6° |
| C15 | N3 | C20 | 122.1° | 118.5° |
| C15 | N3 | C21 | 115.1° | 119.7° |
| C12 | N2 | C11 | 120.2° | 120.1° |
| C12 | N2 | C4 | 120.9° | 120.1° |
| N3 | C20 | C23 | 114.7° | 110.2° |
| C20 | N3 | C21 | 122.1° | 121.8° |
| N3 | C20 | H29 | 108.1° | 109.8° |
| C20 | C23 | O10 | 118.7° | 120.0° |
| C20 | C23 | C24 | 126.5° | 120.0° |
| C23 | C20 | H29 | 107.2° | 107.5° |
| N3 | C21 | C4 | 121.6° | 119.0° |
| N3 | C21 | C22 | 120.4° | 122.2° |
| O7 | C10 | C11 | 109.2° | 109.5° |
| O7 | C10 | C9 | 108.4° | 109.5° |
| O7 | C10 | H11 | 108.7° | 109.5° |
| C10 | O7 | H12 | 109.5° | 114.0° |
| C11 | N2 | C4 | 118.9° | 119.8° |
| N2 | C11 | C10 | 119.4° | 109.5° |
| N2 | C11 | H13 | 106.9° | 109.5° |
| N2 | C11 | H14 | 106.9° | 109.5° |
| N2 | C4 | C21 | 118.6° | 119.3° |
| N2 | C4 | N4 | 117.1° | 121.4° |
| O10 | C23 | C24 | 114.5° | 120.0° |
| C23 | C24 | C25 | 117.3° | 109.4° |
| C23 | C24 | H33 | 107.5° | 109.5° |
| C23 | C24 | H34 | 107.5° | 109.5° |
| C4 | C21 | C22 | 118.0° | 118.7° |
| C21 | C4 | N4 | 124.3° | 119.2° |
| C21 | C22 | O8 | 127.7° | 121.7° |
| C21 | C22 | N1 | 114.7° | 119.6° |
| C11 | C10 | C9 | 115.3° | 109.5° |
| C11 | C10 | H11 | 107.4° | 109.5° |
| C10 | C11 | H13 | 107.0° | 109.5° |
| C10 | C11 | H14 | 107.0° | 109.5° |
| C24 | C25 | C30 | 122.4° | 120.0° |
| C24 | C25 | C26 | 119.5° | 120.1° |
| C25 | C24 | H33 | 107.5° | 109.5° |
| C25 | C24 | H34 | 107.5° | 109.4° |
| C10 | C9 | C8 | 113.4° | 109.5° |
| C10 | C9 | O6 | 106.5° | 109.5° |
| C10 | C9 | H9 | 108.3° | 109.4° |
| C9 | C10 | H11 | 107.7° | 109.4° |
| C4 | N4 | C6 | 117.3° | 120.3° |
| C4 | N4 | H30 | 121.4° | 121.7° |
| O8 | C22 | N1 | 117.6° | 118.7° |
| C22 | N1 | C6 | 123.4° | 120.3° |
| C22 | N1 | H2 | 118.3° | 119.5° |
| C8 | C9 | O6 | 111.4° | 109.5° |
| C9 | C8 | O5 | 106.4° | 109.5° |
| C9 | C8 | C7 | 112.9° | 109.5° |
| C9 | C8 | H7 | 108.6° | 109.5° |
| C8 | C9 | H9 | 108.0° | 109.4° |
| O6 | C9 | H9 | 109.2° | 109.5° |
| C9 | O6 | H10 | 109.5° | 113.9° |
| O5 | C8 | C7 | 110.3° | 109.5° |
| O5 | C8 | H7 | 109.8° | 109.4° |
| C8 | O5 | H8 | 109.5° | 114.0° |
| C8 | C7 | O4 | 109.0° | 109.5° |
| C8 | C7 | H5 | 109.6° | 109.5° |
| C8 | C7 | H6 | 109.6° | 109.5° |
| C7 | C8 | H7 | 108.8° | 109.5° |
| C30 | C25 | C26 | 118.0° | 120.0° |
| C25 | C30 | C29 | 121.2° | 120.0° |
| C25 | C30 | H39 | 119.4° | 120.0° |
| C25 | C26 | C27 | 122.0° | 120.0° |
| C25 | C26 | H35 | 119.0° | 120.0° |
| N4 | C6 | N1 | 122.2° | 120.9° |
| N4 | C6 | O9 | 119.2° | 119.4° |
| C6 | N4 | H30 | 121.4° | 117.9° |
| C7 | O4 | P1 | 121.3° | 123.0° |
| O4 | C7 | H5 | 109.6° | 109.5° |
| O4 | C7 | H6 | 109.6° | 109.5° |
| O4 | P1 | O2 | 102.1° | 109.5° |
| O4 | P1 | O3 | 105.6° | 109.5° |
| O4 | P1 | O1 | 108.5° | 109.4° |
| C30 | C29 | C28 | 115.5° | 120.0° |
| C30 | C29 | H38 | 122.3° | 120.0° |
| C29 | C30 | H39 | 119.4° | 120.0° |
| N1 | C6 | O9 | 118.6° | 119.7° |
| C6 | N1 | H2 | 118.3° | 120.1° |
| O2 | P1 | O3 | 112.4° | 109.5° |
| O2 | P1 | O1 | 114.9° | 109.5° |
| C26 | C27 | C28 | 118.7° | 120.0° |
| C27 | C26 | H35 | 119.0° | 120.0° |
| C26 | C27 | H36 | 120.7° | 120.0° |
| O3 | P1 | O1 | 112.3° | 109.4° |
| P1 | O3 | H4 | 109.5° | 114.0° |
| P1 | O1 | H3 | 109.5° | 114.0° |
| C29 | C28 | C27 | 124.6° | 120.0° |
| C29 | C28 | H37 | 117.7° | 120.0° |
| C28 | C29 | H38 | 122.3° | 120.1° |
| C28 | C27 | H36 | 120.6° | 120.0° |
| C27 | C28 | H37 | 117.7° | 120.0° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H15 | C13 | H17 | 109.4° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.4° | 109.5° |
| H21 | C17 | H22 | 109.4° | 109.5° |
| H21 | C17 | H23 | 109.5° | 109.4° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.4° |
| H24 | C18 | H26 | 109.5° | 109.4° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 107.1° |
| H33 | C24 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C3 | C2 | C13 | 5.3° | 0.6° |
| C14 | C3 | C2 | C5 | 180.0° | 180.0° |
| C14 | C3 | C2 | C1 | 175.9° | 179.4° |
| C14 | C3 | C5 | C16 | 1.8° | 3.6° |
| C14 | C3 | C5 | C15 | 179.0° | 178.6° |
| C3 | C14 | H18 | H19 | 120.0° | 120.0° |
| C3 | C14 | H18 | H20 | 120.0° | 120.0° |
| C3 | C14 | H19 | H20 | 119.9° | 120.0° |
| C18 | C16 | C5 | C3 | 18.2° | 58.0° |
| C18 | C16 | C17 | C5 | 124.2° | 121.1° |
| C18 | C16 | C17 | C19 | 120.7° | 115.2° |
| C18 | C16 | C5 | C19 | 117.4° | 122.7° |
| C18 | C16 | C5 | C15 | 164.6° | 124.3° |
| C18 | C16 | C19 | C20 | 172.3° | 94.1° |
| C18 | C16 | C17 | H21 | 180.0° | 52.8° |
| C18 | C16 | C17 | H22 | 60.0° | 67.3° |
| C18 | C16 | C17 | H23 | 60.0° | 172.7° |
| C16 | C18 | H24 | H25 | 120.0° | 120.0° |
| C16 | C18 | H24 | H26 | 120.0° | 120.0° |
| C16 | C18 | H25 | H26 | 120.0° | 120.0° |
| C18 | C16 | C19 | H27 | 51.7° | 144.1° |
| C18 | C16 | C19 | H28 | 67.1° | 27.8° |
| C13 | C2 | C3 | C1 | 178.8° | 180.0° |
| C13 | C2 | C3 | C5 | 174.7° | 179.4° |
| C13 | C2 | C1 | C12 | 173.4° | 179.0° |
| C13 | C2 | C1 | H1 | 6.6° | 1.3° |
| C2 | C13 | H15 | H16 | 120.0° | 120.0° |
| C2 | C13 | H15 | H17 | 120.0° | 119.9° |
| C2 | C13 | H16 | H17 | 120.0° | 120.0° |
| C2 | C3 | C5 | C16 | 178.2° | 176.3° |
| C2 | C3 | C5 | C15 | 1.0° | 1.4° |
| C3 | C2 | C1 | C12 | 5.5° | 1.0° |
| C3 | C2 | C1 | H1 | 174.5° | 178.7° |
| C3 | C2 | C13 | H15 | 90.6° | 83.6° |
| C3 | C2 | C13 | H16 | 149.4° | 36.4° |
| C3 | C2 | C13 | H17 | 29.4° | 156.5° |
| C2 | C3 | C14 | H18 | 90.0° | 83.0° |
| C2 | C3 | C14 | H19 | 150.0° | 157.0° |
| C2 | C3 | C14 | H20 | 30.0° | 37.0° |
| C5 | C3 | C2 | C1 | 4.1° | 0.5° |
| C3 | C5 | C16 | C17 | 102.7° | 61.0° |
| C3 | C5 | C16 | C15 | 177.2° | 177.7° |
| C3 | C5 | C16 | C19 | 135.7° | 179.3° |
| C3 | C5 | C15 | C12 | 0.8° | 3.0° |
| C3 | C5 | C15 | N3 | 178.5° | 173.9° |
| C5 | C3 | C14 | H18 | 90.0° | 97.1° |
| C5 | C3 | C14 | H19 | 30.0° | 23.0° |
| C5 | C3 | C14 | H20 | 150.0° | 142.9° |
| C2 | C1 | C12 | H1 | 180.0° | 179.8° |
| C2 | C1 | C12 | C15 | 3.7° | 0.5° |
| C2 | C1 | C12 | N2 | 177.0° | 179.6° |
| C1 | C2 | C13 | H15 | 90.5° | 96.4° |
| C1 | C2 | C13 | H16 | 29.5° | 143.6° |
| C1 | C2 | C13 | H17 | 149.5° | 23.6° |
| C17 | C16 | C5 | C19 | 121.6° | 118.3° |
| C17 | C16 | C5 | C15 | 74.5° | 116.7° |
| C17 | C16 | C19 | C20 | 50.3° | 150.5° |
| C16 | C17 | H21 | H22 | 120.0° | 120.0° |
| C16 | C17 | H21 | H23 | 120.0° | 120.0° |
| C16 | C17 | H22 | H23 | 120.0° | 120.0° |
| C17 | C16 | C18 | H24 | 180.0° | 60.0° |
| C17 | C16 | C18 | H25 | 60.0° | 179.9° |
| C17 | C16 | C18 | H26 | 60.0° | 60.0° |
| C17 | C16 | C19 | H27 | 70.3° | 28.7° |
| C17 | C16 | C19 | H28 | 170.9° | 87.6° |
| C5 | C16 | C19 | C20 | 65.3° | 30.6° |
| C16 | C5 | C15 | C12 | 176.9° | 174.8° |
| C16 | C5 | C15 | N3 | 3.9° | 8.3° |
| C5 | C16 | C17 | H21 | 55.8° | 68.3° |
| C5 | C16 | C17 | H22 | 64.2° | 171.6° |
| C5 | C16 | C17 | H23 | 175.8° | 51.6° |
| C5 | C16 | C18 | H24 | 61.1° | 59.5° |
| C5 | C16 | C18 | H25 | 178.9° | 60.5° |
| C5 | C16 | C18 | H26 | 58.8° | 179.4° |
| C5 | C16 | C19 | H27 | 174.1° | 91.2° |
| C5 | C16 | C19 | H28 | 55.3° | 152.5° |
| C19 | C16 | C5 | C15 | 47.1° | 1.6° |
| C16 | C19 | C20 | H27 | 120.6° | 121.4° |
| C16 | C19 | C20 | H28 | 120.6° | 121.5° |
| C16 | C19 | C20 | N3 | 37.5° | 54.6° |
| C16 | C19 | C20 | C23 | 164.6° | 67.0° |
| C19 | C16 | C17 | H21 | 59.3° | 168.0° |
| C19 | C16 | C17 | H22 | 179.3° | 47.9° |
| C19 | C16 | C17 | H23 | 60.7° | 72.1° |
| C19 | C16 | C18 | H24 | 54.9° | 174.0° |
| C19 | C16 | C18 | H25 | 65.1° | 66.1° |
| C19 | C16 | C18 | H26 | 174.9° | 54.0° |
| C16 | C19 | H27 | H28 | 118.1° | 117.2° |
| C16 | C19 | C20 | H29 | 80.6° | 173.8° |
| C5 | C15 | C12 | C1 | 0.6° | 2.6° |
| C5 | C15 | C12 | N3 | 179.2° | 177.0° |
| C5 | C15 | C12 | N2 | 179.9° | 178.3° |
| C5 | C15 | N3 | C20 | 28.5° | 19.7° |
| C5 | C15 | N3 | C21 | 160.8° | 161.2° |
| C1 | C12 | C15 | N2 | 179.3° | 179.1° |
| C1 | C12 | C15 | N3 | 179.8° | 174.5° |
| C1 | C12 | N2 | C11 | 18.0° | 13.1° |
| C1 | C12 | N2 | C4 | 163.2° | 166.4° |
| C19 | C20 | N3 | C15 | 11.5° | 50.3° |
| C19 | C20 | N3 | C23 | 123.2° | 123.0° |
| C19 | C20 | N3 | H29 | 117.2° | 118.8° |
| C19 | C20 | C23 | H29 | 114.4° | 120.1° |
| C19 | C20 | N3 | C21 | 178.4° | 130.6° |
| C19 | C20 | C23 | O10 | 82.6° | 104.9° |
| C19 | C20 | C23 | C24 | 91.2° | 75.0° |
| C20 | C19 | H27 | H28 | 118.1° | 118.4° |
| C12 | C15 | N3 | C20 | 150.8° | 157.4° |
| C12 | C15 | N3 | C21 | 20.0° | 21.8° |
| C15 | C12 | N2 | C11 | 162.7° | 166.0° |
| C15 | C12 | N2 | C4 | 16.1° | 14.5° |
| C15 | C12 | C1 | H1 | 176.3° | 179.7° |
| N3 | C15 | C12 | N2 | 0.9° | 4.7° |
| C15 | N3 | C20 | C21 | 170.1° | 179.1° |
| C15 | N3 | C20 | C23 | 111.7° | 72.7° |
| C15 | N3 | C21 | C4 | 24.3° | 20.2° |
| C15 | N3 | C21 | C22 | 158.7° | 157.6° |
| C15 | N3 | C20 | H29 | 128.7° | 169.1° |
| C12 | N2 | C11 | C4 | 178.8° | 179.5° |
| C12 | N2 | C4 | C21 | 12.4° | 16.4° |
| C12 | N2 | C11 | C10 | 104.3° | 90.5° |
| C12 | N2 | C4 | N4 | 166.2° | 163.3° |
| N2 | C12 | C1 | H1 | 3.0° | 0.6° |
| C12 | N2 | C11 | H13 | 134.3° | 149.5° |
| C12 | N2 | C11 | H14 | 17.1° | 29.5° |
| N3 | C20 | C23 | H29 | 120.0° | 119.6° |
| N3 | C20 | C23 | O10 | 151.8° | 15.4° |
| N3 | C20 | C23 | C24 | 34.4° | 164.7° |
| C20 | N3 | C21 | C4 | 146.5° | 158.9° |
| C20 | N3 | C21 | C22 | 30.6° | 23.3° |
| N3 | C20 | C19 | H27 | 158.1° | 66.8° |
| N3 | C20 | C19 | H28 | 83.1° | 176.1° |
| C23 | C20 | N3 | C21 | 58.3° | 106.4° |
| C20 | C23 | O10 | C24 | 174.5° | 179.9° |
| C20 | C23 | C24 | C25 | 92.3° | 179.9° |
| C23 | C20 | C19 | H27 | 74.8° | 171.5° |
| C23 | C20 | C19 | H28 | 44.0° | 54.5° |
| C20 | C23 | C24 | H33 | 146.6° | 60.1° |
| C20 | C23 | C24 | H34 | 28.9° | 60.0° |
| N3 | C21 | C4 | N2 | 8.5° | 0.8° |
| N3 | C21 | C4 | C22 | 177.1° | 177.9° |
| N3 | C21 | C4 | N4 | 173.0° | 179.5° |
| N3 | C21 | C22 | O8 | 8.3° | 9.1° |
| N3 | C21 | C22 | N1 | 174.2° | 172.9° |
| C21 | N3 | C20 | H29 | 61.2° | 11.8° |
| O7 | C10 | C11 | N2 | 55.5° | 60.0° |
| O7 | C10 | C11 | C9 | 122.2° | 120.0° |
| O7 | C10 | C11 | H11 | 117.8° | 120.0° |
| O7 | C10 | C9 | H11 | 117.5° | 120.0° |
| O7 | C10 | C9 | C8 | 50.8° | 60.0° |
| O7 | C10 | C9 | O6 | 173.7° | 180.0° |
| O7 | C10 | C9 | H9 | 69.0° | 60.0° |
| O7 | C10 | C11 | H13 | 176.8° | 60.0° |
| O7 | C10 | C11 | H14 | 65.9° | 180.0° |
| C11 | N2 | C4 | C21 | 166.4° | 164.1° |
| N2 | C11 | C10 | H13 | 121.4° | 120.0° |
| N2 | C11 | C10 | H14 | 121.4° | 120.0° |
| N2 | C11 | C10 | C9 | 177.7° | 180.0° |
| C11 | N2 | C4 | N4 | 15.0° | 16.2° |
| N2 | C11 | C10 | H11 | 62.3° | 60.0° |
| N2 | C11 | H13 | H14 | 115.5° | 120.0° |
| N2 | C4 | C21 | N4 | 178.5° | 179.7° |
| N2 | C4 | C21 | C22 | 174.4° | 177.1° |
| C4 | N2 | C11 | C10 | 76.9° | 90.0° |
| N2 | C4 | N4 | C6 | 175.8° | 174.9° |
| C4 | N2 | C11 | H13 | 44.5° | 30.0° |
| C4 | N2 | C11 | H14 | 161.7° | 150.0° |
| N2 | C4 | N4 | H30 | 4.1° | 6.5° |
| O10 | C23 | C24 | C25 | 93.7° | 0.0° |
| O10 | C23 | C20 | H29 | 31.8° | 135.0° |
| O10 | C23 | C24 | H33 | 27.4° | 120.1° |
| O10 | C23 | C24 | H34 | 145.2° | 119.9° |
| C23 | C24 | C25 | H33 | 121.1° | 120.0° |
| C23 | C24 | C25 | H34 | 121.2° | 120.0° |
| C23 | C24 | C25 | C30 | 141.0° | 90.0° |
| C23 | C24 | C25 | C26 | 35.9° | 89.8° |
| C24 | C23 | C20 | H29 | 154.4° | 45.1° |
| C23 | C24 | H33 | H34 | 116.5° | 120.0° |
| C4 | C21 | C22 | O8 | 174.6° | 168.7° |
| C4 | C21 | C22 | N1 | 2.9° | 9.3° |
| C21 | C4 | N4 | C6 | 2.6° | 5.4° |
| C21 | C4 | N4 | H30 | 177.4° | 173.2° |
| C22 | C21 | C4 | N4 | 4.1° | 2.6° |
| C21 | C22 | O8 | N1 | 177.4° | 178.0° |
| C21 | C22 | N1 | C6 | 0.8° | 8.0° |
| C21 | C22 | N1 | H2 | 179.2° | 171.8° |
| C11 | C10 | C9 | H11 | 119.9° | 120.0° |
| C11 | C10 | C9 | C8 | 173.5° | 180.0° |
| C11 | C10 | C9 | O6 | 63.6° | 59.9° |
| C11 | C10 | C9 | H9 | 53.7° | 60.0° |
| C11 | C10 | O7 | H12 | 180.0° | 60.0° |
| C10 | C11 | H13 | H14 | 115.5° | 120.0° |
| C24 | C25 | C30 | C26 | 177.0° | 179.8° |
| C24 | C25 | C30 | C29 | 178.4° | 179.8° |
| C24 | C25 | C26 | C27 | 179.0° | 180.0° |
| C25 | C24 | H33 | H34 | 116.4° | 120.0° |
| C24 | C25 | C26 | H35 | 1.0° | 0.0° |
| C24 | C25 | C30 | H39 | 1.7° | 0.1° |
| C10 | C9 | C8 | O6 | 120.2° | 120.1° |
| C10 | C9 | C8 | H9 | 120.0° | 119.9° |
| C10 | C9 | O6 | H9 | 116.8° | 120.0° |
| C10 | C9 | C8 | O5 | 169.5° | 60.0° |
| C10 | C9 | C8 | C7 | 48.4° | 179.9° |
| C10 | C9 | C8 | H7 | 72.4° | 60.0° |
| C10 | C9 | O6 | H10 | 180.0° | 60.1° |
| C9 | C10 | O7 | H12 | 53.7° | 60.0° |
| C9 | C10 | C11 | H13 | 60.9° | 60.0° |
| C9 | C10 | C11 | H14 | 56.3° | 60.0° |
| C4 | N4 | C6 | H30 | 180.0° | 178.7° |
| C4 | N4 | C6 | N1 | 0.2° | 7.0° |
| C4 | N4 | C6 | O9 | 177.7° | 172.8° |
| O8 | C22 | N1 | C6 | 176.9° | 170.0° |
| O8 | C22 | N1 | H2 | 3.1° | 10.2° |
| C22 | N1 | C6 | N4 | 0.6° | 0.1° |
| C22 | N1 | C6 | H2 | 180.0° | 179.8° |
| C22 | N1 | C6 | O9 | 178.5° | 179.6° |
| C8 | C9 | O6 | H9 | 119.1° | 120.0° |
| C9 | C8 | O5 | C7 | 122.8° | 120.0° |
| C9 | C8 | O5 | H7 | 117.3° | 120.0° |
| C9 | C8 | C7 | H7 | 120.6° | 120.0° |
| C9 | C8 | C7 | O4 | 175.6° | 175.0° |
| C9 | C8 | C7 | H5 | 55.6° | 65.0° |
| C9 | C8 | C7 | H6 | 64.5° | 55.0° |
| C9 | C8 | O5 | H8 | 180.0° | 60.0° |
| C8 | C9 | O6 | H10 | 55.9° | 60.0° |
| C8 | C9 | C10 | H11 | 66.6° | 60.1° |
| O6 | C9 | C8 | O5 | 49.3° | 180.0° |
| O6 | C9 | C8 | C7 | 71.8° | 60.0° |
| O6 | C9 | C8 | H7 | 167.4° | 60.1° |
| O6 | C9 | C10 | H11 | 56.2° | 60.0° |
| O5 | C8 | C7 | H7 | 120.5° | 120.0° |
| O5 | C8 | C7 | O4 | 65.6° | 65.0° |
| O5 | C8 | C7 | H5 | 174.5° | 55.0° |
| O5 | C8 | C7 | H6 | 54.3° | 175.0° |
| O5 | C8 | C9 | H9 | 70.5° | 60.0° |
| C8 | C7 | O4 | H5 | 119.9° | 120.0° |
| C8 | C7 | O4 | H6 | 119.9° | 120.0° |
| C8 | C7 | O4 | P1 | 113.5° | 179.9° |
| C8 | C7 | H5 | H6 | 120.2° | 120.0° |
| C7 | C8 | O5 | H8 | 57.2° | 60.0° |
| C7 | C8 | C9 | H9 | 168.4° | 60.0° |
| C25 | C30 | C29 | H39 | 180.0° | 179.9° |
| C30 | C25 | C26 | C27 | 1.9° | 0.2° |
| C25 | C30 | C29 | C28 | 1.6° | 0.4° |
| C30 | C25 | C24 | H33 | 97.8° | 30.0° |
| C30 | C25 | C24 | H34 | 19.9° | 150.0° |
| C30 | C25 | C26 | H35 | 178.1° | 179.8° |
| C25 | C30 | C29 | H38 | 178.4° | 179.7° |
| C26 | C25 | C30 | C29 | 1.4° | 0.4° |
| C25 | C26 | C27 | H35 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 2.7° | 0.0° |
| C26 | C25 | C24 | H33 | 85.2° | 150.3° |
| C26 | C25 | C24 | H34 | 157.1° | 30.2° |
| C25 | C26 | C27 | H36 | 177.3° | 180.0° |
| C26 | C25 | C30 | H39 | 178.6° | 179.7° |
| N4 | C6 | N1 | O9 | 178.0° | 179.7° |
| N4 | C6 | N1 | H2 | 179.4° | 179.9° |
| C7 | O4 | P1 | O2 | 165.9° | 55.0° |
| C7 | O4 | P1 | O3 | 76.5° | 175.0° |
| C7 | O4 | P1 | O1 | 44.1° | 65.0° |
| O4 | C7 | H5 | H6 | 120.2° | 120.0° |
| O4 | C7 | C8 | H7 | 54.9° | 55.0° |
| O4 | P1 | O2 | O3 | 112.7° | 120.1° |
| O4 | P1 | O2 | O1 | 117.2° | 120.0° |
| O4 | P1 | O3 | O1 | 118.0° | 119.9° |
| O4 | P1 | O1 | H3 | 113.5° | 60.0° |
| O4 | P1 | O3 | H4 | 110.5° | 180.0° |
| P1 | O4 | C7 | H5 | 126.6° | 60.0° |
| P1 | O4 | C7 | H6 | 6.4° | 59.9° |
| C30 | C29 | C28 | H38 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 2.5° | 0.2° |
| C30 | C29 | C28 | H37 | 177.5° | 179.8° |
| N1 | C6 | N4 | H30 | 179.8° | 171.7° |
| O9 | C6 | N1 | H2 | 1.5° | 0.2° |
| O9 | C6 | N4 | H30 | 2.3° | 8.5° |
| O2 | P1 | O3 | O1 | 131.5° | 120.0° |
| O2 | P1 | O1 | H3 | 0.0° | 180.0° |
| O2 | P1 | O3 | H4 | 0.0° | 60.0° |
| C26 | C27 | C28 | C29 | 3.1° | 0.0° |
| C26 | C27 | C28 | H36 | 180.0° | 180.0° |
| C26 | C27 | C28 | H37 | 176.9° | 180.0° |
| O3 | P1 | O1 | H3 | 130.2° | 60.0° |
| O1 | P1 | O3 | H4 | 131.5° | 60.0° |
| C29 | C28 | C27 | H37 | 180.0° | 180.0° |
| C29 | C28 | C27 | H36 | 176.9° | 180.0° |
| C28 | C29 | C30 | H39 | 178.4° | 179.7° |
| C28 | C27 | C26 | H35 | 177.3° | 180.0° |
| C27 | C28 | C29 | H38 | 177.5° | 179.9° |
| H5 | C7 | C8 | H7 | 65.0° | 175.0° |
| H6 | C7 | C8 | H7 | 174.8° | 65.0° |
| H7 | C8 | O5 | H8 | 62.7° | 180.0° |
| H7 | C8 | C9 | H9 | 47.6° | 180.0° |
| H9 | C9 | O6 | H10 | 63.2° | 180.0° |
| H9 | C9 | C10 | H11 | 173.6° | 180.0° |
| H11 | C10 | O7 | H12 | 63.1° | 180.0° |
| H11 | C10 | C11 | H13 | 59.1° | 180.0° |
| H11 | C10 | C11 | H14 | 176.3° | 60.0° |
| H15 | C13 | H16 | H17 | 120.0° | 120.0° |
| H18 | C14 | H19 | H20 | 120.0° | 120.0° |
| H21 | C17 | H22 | H23 | 120.0° | 120.0° |
| H24 | C18 | H25 | H26 | 120.0° | 120.0° |
| H27 | C19 | C20 | H29 | 40.0° | 52.4° |
| H28 | C19 | C20 | H29 | 158.8° | 64.7° |
| H35 | C26 | C27 | H36 | 2.7° | 0.0° |
| H36 | C27 | C28 | H37 | 3.1° | 0.0° |
| H37 | C28 | C29 | H38 | 2.6° | 0.0° |
| H38 | C29 | C30 | H39 | 1.6° | 0.2° |
