A1JXM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C10 | doub | 1.21Å | 1.23Å | |
| C10 | N3 | sing | 1.35Å | 1.33Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C18 | N2 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| N2 | C8 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| N3 | C11 | sing | 1.47Å | 1.45Å | |
| O5 | C23 | doub | 1.21Å | 1.24Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| C4 | N1 | sing | 1.47Å | 1.45Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| N4 | C19 | sing | 1.35Å | 1.35Å | |
| N4 | C20 | sing | 1.40Å | 1.41Å | |
| C19 | O6 | doub | 1.21Å | 1.23Å | |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| O2 | C15 | sing | 1.43Å | 1.42Å | |
| O2 | C14 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.46Å | |
| C3 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.48Å | 1.49Å | |
| C23 | O4 | sing | 1.35Å | 1.24Å | |
| C20 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| CL1 | C1 | sing | 1.74Å | 1.74Å | |
| C12 | O1 | sing | 1.43Å | 1.42Å | |
| C13 | O1 | sing | 1.43Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C1 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | trip | 1.17Å | 1.17Å | |
| C29 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.48Å | 1.49Å | |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.37Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.05Å | 1.06Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| C21 | H32 | sing | 1.08Å | 1.08Å | |
| O4 | H33 | sing | 0.97Å | 0.95Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å | |
| C25 | H35 | sing | 1.08Å | 1.08Å | |
| C26 | H36 | sing | 1.08Å | 1.08Å | |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C28 | H38 | sing | 1.08Å | 1.08Å | |
| C31 | H39 | sing | 1.08Å | 1.08Å | |
| C32 | H40 | sing | 1.08Å | 1.08Å | |
| C33 | H41 | sing | 1.08Å | 1.08Å | |
| C34 | H42 | sing | 1.08Å | 1.08Å | |
| C35 | H43 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C10 | N3 | 122.9° | 120.0° |
| O3 | C10 | C9 | 121.8° | 120.0° |
| N3 | C10 | C9 | 115.3° | 120.0° |
| C10 | N3 | C11 | 123.7° | 120.0° |
| C10 | N3 | H17 | 118.1° | 120.0° |
| C10 | C9 | N2 | 116.0° | 109.5° |
| C10 | C9 | H15 | 107.8° | 109.5° |
| C10 | C9 | H16 | 107.8° | 109.5° |
| N2 | C18 | C19 | 114.9° | 109.5° |
| C18 | N2 | C9 | 113.8° | 111.0° |
| C18 | N2 | C8 | 113.0° | 111.0° |
| N2 | C18 | H29 | 108.1° | 109.5° |
| N2 | C18 | H30 | 108.1° | 109.5° |
| C18 | C19 | N4 | 113.5° | 120.1° |
| C18 | C19 | O6 | 121.2° | 119.9° |
| C19 | C18 | H29 | 108.1° | 109.5° |
| C19 | C18 | H30 | 108.1° | 109.5° |
| C9 | N2 | C8 | 111.3° | 111.0° |
| N2 | C9 | H15 | 107.8° | 109.5° |
| N2 | C9 | H16 | 107.8° | 109.5° |
| N2 | C8 | C7 | 113.1° | 109.5° |
| N2 | C8 | H12 | 108.5° | 109.5° |
| N2 | C8 | H13 | 108.5° | 109.5° |
| C8 | C7 | C6 | 114.6° | 109.5° |
| C8 | C7 | H10 | 108.2° | 109.5° |
| C8 | C7 | H11 | 108.2° | 109.5° |
| C7 | C8 | H12 | 108.6° | 109.5° |
| C7 | C8 | H13 | 108.6° | 109.5° |
| C7 | C6 | C5 | 111.7° | 109.5° |
| C7 | C6 | H8 | 108.9° | 109.5° |
| C7 | C6 | H9 | 108.9° | 109.5° |
| C6 | C7 | H10 | 108.2° | 109.4° |
| C6 | C7 | H11 | 108.2° | 109.5° |
| N3 | C11 | C12 | 111.8° | 109.4° |
| C11 | N3 | H17 | 118.2° | 120.0° |
| N3 | C11 | H18 | 108.9° | 109.4° |
| N3 | C11 | H19 | 108.9° | 109.5° |
| O5 | C23 | C22 | 117.8° | 120.0° |
| O5 | C23 | O4 | 124.4° | 120.0° |
| C11 | C12 | O1 | 109.2° | 109.5° |
| C12 | C11 | H18 | 108.9° | 109.5° |
| C12 | C11 | H19 | 108.9° | 109.5° |
| C11 | C12 | H20 | 109.5° | 109.4° |
| C11 | C12 | H21 | 109.5° | 109.5° |
| C6 | C5 | N1 | 114.1° | 109.5° |
| C6 | C5 | H6 | 108.3° | 109.5° |
| C6 | C5 | H7 | 108.3° | 109.5° |
| C5 | C6 | H8 | 108.9° | 109.4° |
| C5 | C6 | H9 | 108.9° | 109.5° |
| C5 | N1 | C4 | 112.9° | 111.0° |
| C5 | N1 | H4 | 108.6° | 111.0° |
| N1 | C5 | H6 | 108.3° | 109.5° |
| N1 | C5 | H7 | 108.3° | 109.4° |
| N1 | C4 | C3 | 113.5° | 109.5° |
| N1 | C4 | H2 | 108.4° | 109.5° |
| N1 | C4 | H3 | 108.5° | 109.4° |
| C4 | N1 | H4 | 108.6° | 111.0° |
| C4 | C3 | C2 | 120.0° | 119.9° |
| C4 | C3 | C27 | 121.3° | 119.9° |
| C3 | C4 | H2 | 108.4° | 109.5° |
| C3 | C4 | H3 | 108.4° | 109.5° |
| C19 | N4 | C20 | 129.1° | 120.0° |
| N4 | C19 | O6 | 125.3° | 120.0° |
| C19 | N4 | H31 | 115.4° | 120.0° |
| N4 | C20 | C21 | 117.5° | 120.0° |
| N4 | C20 | C26 | 123.0° | 120.0° |
| C20 | N4 | H31 | 115.4° | 120.0° |
| C20 | C21 | C22 | 120.5° | 119.8° |
| C21 | C20 | C26 | 119.4° | 120.0° |
| C20 | C21 | H32 | 119.7° | 120.1° |
| C21 | C22 | C23 | 119.8° | 120.1° |
| C21 | C22 | C24 | 119.5° | 119.8° |
| C22 | C21 | H32 | 119.7° | 120.1° |
| C15 | O2 | C14 | 111.5° | 113.9° |
| O2 | C15 | C16 | 112.0° | 109.4° |
| O2 | C15 | H26 | 108.9° | 109.5° |
| O2 | C15 | H27 | 108.9° | 109.5° |
| O2 | C14 | C13 | 109.7° | 109.4° |
| O2 | C14 | H24 | 109.4° | 109.4° |
| O2 | C14 | H25 | 109.4° | 109.4° |
| C3 | C2 | C1 | 120.3° | 120.1° |
| C2 | C3 | C27 | 118.7° | 120.3° |
| C3 | C2 | H1 | 119.9° | 120.0° |
| C2 | C1 | CL1 | 116.4° | 120.1° |
| C2 | C1 | C29 | 121.8° | 119.8° |
| C1 | C2 | H1 | 119.8° | 119.9° |
| C15 | C16 | C17 | 177.5° | 179.9° |
| C16 | C15 | H26 | 108.8° | 109.5° |
| C16 | C15 | H27 | 108.8° | 109.5° |
| C3 | C27 | C28 | 121.0° | 120.1° |
| C3 | C27 | H37 | 119.5° | 119.9° |
| C22 | C23 | O4 | 117.8° | 120.0° |
| C23 | C22 | C24 | 120.7° | 120.1° |
| C23 | O4 | H33 | 109.5° | 116.9° |
| C20 | C26 | C25 | 119.9° | 120.2° |
| C20 | C26 | H36 | 120.1° | 119.8° |
| CL1 | C1 | C29 | 121.8° | 120.1° |
| C12 | O1 | C13 | 113.3° | 114.0° |
| O1 | C12 | H20 | 109.5° | 109.5° |
| O1 | C12 | H21 | 109.5° | 109.4° |
| O1 | C13 | C14 | 109.7° | 109.5° |
| O1 | C13 | H22 | 109.4° | 109.4° |
| O1 | C13 | H23 | 109.4° | 109.5° |
| C14 | C13 | H22 | 109.4° | 109.5° |
| C14 | C13 | H23 | 109.4° | 109.5° |
| C13 | C14 | H24 | 109.4° | 109.5° |
| C13 | C14 | H25 | 109.4° | 109.5° |
| C1 | C29 | C28 | 117.1° | 119.8° |
| C1 | C29 | C30 | 122.6° | 120.1° |
| C22 | C24 | C25 | 120.1° | 119.9° |
| C22 | C24 | H34 | 120.0° | 120.0° |
| C27 | C28 | C29 | 121.2° | 119.9° |
| C28 | C27 | H37 | 119.5° | 120.0° |
| C27 | C28 | H38 | 119.4° | 120.0° |
| C16 | C17 | H28 | 180.0° | 180.0° |
| C28 | C29 | C30 | 120.3° | 120.1° |
| C29 | C28 | H38 | 119.4° | 120.0° |
| C29 | C30 | C31 | 121.4° | 120.2° |
| C29 | C30 | C35 | 121.3° | 120.1° |
| C26 | C25 | C24 | 120.6° | 120.3° |
| C26 | C25 | H35 | 119.7° | 119.9° |
| C25 | C26 | H36 | 120.0° | 119.9° |
| C25 | C24 | H34 | 120.0° | 120.0° |
| C24 | C25 | H35 | 119.7° | 119.8° |
| C31 | C30 | C35 | 117.3° | 119.7° |
| C30 | C31 | C32 | 121.7° | 119.9° |
| C30 | C31 | H39 | 119.2° | 120.0° |
| C30 | C35 | C34 | 120.9° | 119.9° |
| C30 | C35 | H43 | 119.5° | 120.1° |
| C31 | C32 | C33 | 119.9° | 120.1° |
| C32 | C31 | H39 | 119.1° | 120.1° |
| C31 | C32 | H40 | 120.1° | 120.0° |
| C35 | C34 | C33 | 120.5° | 120.1° |
| C35 | C34 | H42 | 119.7° | 119.9° |
| C34 | C35 | H43 | 119.5° | 120.0° |
| C32 | C33 | C34 | 119.6° | 120.3° |
| C33 | C32 | H40 | 120.0° | 119.9° |
| C32 | C33 | H41 | 120.2° | 119.9° |
| C34 | C33 | H41 | 120.2° | 119.9° |
| C33 | C34 | H42 | 119.8° | 120.0° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.4° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.4° | 109.5° |
| H26 | C15 | H27 | 109.5° | 109.5° |
| H29 | C18 | H30 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C10 | N3 | C9 | 179.4° | 180.0° |
| O3 | C10 | C9 | N2 | 1.2° | 0.0° |
| O3 | C10 | N3 | C11 | 49.2° | 0.0° |
| O3 | C10 | C9 | H15 | 122.2° | 120.0° |
| O3 | C10 | C9 | H16 | 119.8° | 120.0° |
| O3 | C10 | N3 | H17 | 130.8° | 180.0° |
| N3 | C10 | C9 | N2 | 178.3° | 180.0° |
| C10 | N3 | C11 | H17 | 180.0° | 180.0° |
| C10 | N3 | C11 | C12 | 115.7° | 180.0° |
| N3 | C10 | C9 | H15 | 57.3° | 60.0° |
| N3 | C10 | C9 | H16 | 60.8° | 60.0° |
| C10 | N3 | C11 | H18 | 124.0° | 60.1° |
| C10 | N3 | C11 | H19 | 4.6° | 60.0° |
| C10 | C9 | N2 | C18 | 61.8° | 66.0° |
| C10 | C9 | N2 | H15 | 121.0° | 120.0° |
| C10 | C9 | N2 | H16 | 120.9° | 120.0° |
| C10 | C9 | N2 | C8 | 169.1° | 170.0° |
| C9 | C10 | N3 | C11 | 131.4° | 180.0° |
| C10 | C9 | H15 | H16 | 117.0° | 120.0° |
| C9 | C10 | N3 | H17 | 48.6° | 0.0° |
| N2 | C18 | C19 | H29 | 120.8° | 120.0° |
| N2 | C18 | C19 | H30 | 120.8° | 120.1° |
| C18 | N2 | C9 | C8 | 129.1° | 124.0° |
| C18 | N2 | C8 | C7 | 154.6° | 159.9° |
| N2 | C18 | C19 | N4 | 129.5° | 173.9° |
| N2 | C18 | C19 | O6 | 51.3° | 6.2° |
| C18 | N2 | C8 | H12 | 84.9° | 39.9° |
| C18 | N2 | C8 | H13 | 34.0° | 80.1° |
| C18 | N2 | C9 | H15 | 177.3° | 54.0° |
| C18 | N2 | C9 | H16 | 59.2° | 174.0° |
| N2 | C18 | H29 | H30 | 117.5° | 120.0° |
| C19 | C18 | N2 | C9 | 86.1° | 163.7° |
| C19 | C18 | N2 | C8 | 42.2° | 72.3° |
| C18 | C19 | N4 | O6 | 179.2° | 180.0° |
| C18 | C19 | N4 | C20 | 161.0° | 175.5° |
| C19 | C18 | H29 | H30 | 117.5° | 120.0° |
| C18 | C19 | N4 | H31 | 19.0° | 4.5° |
| C9 | N2 | C8 | C7 | 75.9° | 76.1° |
| C9 | N2 | C8 | H12 | 44.6° | 163.9° |
| C9 | N2 | C8 | H13 | 163.5° | 43.9° |
| N2 | C9 | H15 | H16 | 117.0° | 120.0° |
| C9 | N2 | C18 | H29 | 34.7° | 76.3° |
| C9 | N2 | C18 | H30 | 153.1° | 43.7° |
| N2 | C8 | C7 | H12 | 120.5° | 120.1° |
| N2 | C8 | C7 | H13 | 120.5° | 120.0° |
| N2 | C8 | C7 | C6 | 123.8° | 178.1° |
| N2 | C8 | C7 | H10 | 115.5° | 58.1° |
| N2 | C8 | C7 | H11 | 3.0° | 61.9° |
| N2 | C8 | H12 | H13 | 118.3° | 120.0° |
| C8 | N2 | C9 | H15 | 48.1° | 70.0° |
| C8 | N2 | C9 | H16 | 70.0° | 50.0° |
| C8 | N2 | C18 | H29 | 163.0° | 47.7° |
| C8 | N2 | C18 | H30 | 78.6° | 167.7° |
| C8 | C7 | C6 | H10 | 120.7° | 120.0° |
| C8 | C7 | C6 | H11 | 120.7° | 120.0° |
| C8 | C7 | C6 | C5 | 162.8° | 180.0° |
| C8 | C7 | C6 | H8 | 42.4° | 60.0° |
| C8 | C7 | C6 | H9 | 76.9° | 60.0° |
| C8 | C7 | H10 | H11 | 117.7° | 120.0° |
| C7 | C8 | H12 | H13 | 118.4° | 120.0° |
| C7 | C6 | C5 | H8 | 120.3° | 120.0° |
| C7 | C6 | C5 | H9 | 120.4° | 120.1° |
| C7 | C6 | C5 | N1 | 168.4° | 180.0° |
| C7 | C6 | C5 | H6 | 47.7° | 60.0° |
| C7 | C6 | C5 | H7 | 70.9° | 60.0° |
| C7 | C6 | H8 | H9 | 119.0° | 120.0° |
| C6 | C7 | H10 | H11 | 117.7° | 120.0° |
| C6 | C7 | C8 | H12 | 3.2° | 61.9° |
| C6 | C7 | C8 | H13 | 115.7° | 58.1° |
| N3 | C11 | C12 | H18 | 120.3° | 119.9° |
| N3 | C11 | C12 | H19 | 120.4° | 120.0° |
| N3 | C11 | C12 | O1 | 38.3° | 65.0° |
| N3 | C11 | H18 | H19 | 119.0° | 120.0° |
| N3 | C11 | C12 | H20 | 158.3° | 175.0° |
| N3 | C11 | C12 | H21 | 81.6° | 55.0° |
| O5 | C23 | C22 | C21 | 9.0° | 0.0° |
| O5 | C23 | C22 | O4 | 179.9° | 180.0° |
| O5 | C23 | C22 | C24 | 171.0° | 179.9° |
| O5 | C23 | O4 | H33 | 0.0° | 0.1° |
| C11 | C12 | O1 | H20 | 119.9° | 120.0° |
| C11 | C12 | O1 | H21 | 119.9° | 120.1° |
| C11 | C12 | O1 | C13 | 67.1° | 180.0° |
| C12 | C11 | N3 | H17 | 64.3° | 0.0° |
| C12 | C11 | H18 | H19 | 118.9° | 120.1° |
| C11 | C12 | H20 | H21 | 120.1° | 120.0° |
| C6 | C5 | N1 | H6 | 120.7° | 120.0° |
| C6 | C5 | N1 | H7 | 120.7° | 120.0° |
| C6 | C5 | N1 | C4 | 179.1° | 179.9° |
| C6 | C5 | N1 | H4 | 58.6° | 56.1° |
| C6 | C5 | H6 | H7 | 117.9° | 120.0° |
| C5 | C6 | H8 | H9 | 119.0° | 120.0° |
| C5 | C6 | C7 | H10 | 76.5° | 60.0° |
| C5 | C6 | C7 | H11 | 42.1° | 60.0° |
| C5 | N1 | C4 | H4 | 120.5° | 123.9° |
| C5 | N1 | C4 | C3 | 156.5° | 180.0° |
| C5 | N1 | C4 | H2 | 36.0° | 59.9° |
| C5 | N1 | C4 | H3 | 82.9° | 60.0° |
| N1 | C5 | H6 | H7 | 117.9° | 120.0° |
| N1 | C5 | C6 | H8 | 71.3° | 60.0° |
| N1 | C5 | C6 | H9 | 48.1° | 60.0° |
| N1 | C4 | C3 | H2 | 120.6° | 120.0° |
| N1 | C4 | C3 | H3 | 120.6° | 120.0° |
| N1 | C4 | C3 | C2 | 160.3° | 89.9° |
| N1 | C4 | C3 | C27 | 19.6° | 90.0° |
| N1 | C4 | H2 | H3 | 118.2° | 119.9° |
| C4 | N1 | C5 | H6 | 60.3° | 60.0° |
| C4 | N1 | C5 | H7 | 58.4° | 60.1° |
| C4 | C3 | C2 | C27 | 179.9° | 180.0° |
| C4 | C3 | C2 | C1 | 179.4° | 180.0° |
| C4 | C3 | C27 | C28 | 179.4° | 179.9° |
| C4 | C3 | C2 | H1 | 0.6° | 0.1° |
| C3 | C4 | H2 | H3 | 118.2° | 120.1° |
| C3 | C4 | N1 | H4 | 83.0° | 56.1° |
| C4 | C3 | C27 | H37 | 0.6° | 0.1° |
| C19 | N4 | C20 | H31 | 180.0° | 179.9° |
| C19 | N4 | C20 | C21 | 155.0° | 33.2° |
| C19 | N4 | C20 | C26 | 25.5° | 147.0° |
| N4 | C19 | C18 | H29 | 109.7° | 53.8° |
| N4 | C19 | C18 | H30 | 8.7° | 66.1° |
| C20 | N4 | C19 | O6 | 19.8° | 4.6° |
| N4 | C20 | C21 | C26 | 179.5° | 179.8° |
| N4 | C20 | C21 | C22 | 179.9° | 180.0° |
| N4 | C20 | C26 | C25 | 180.0° | 179.7° |
| N4 | C20 | C21 | H32 | 0.1° | 0.0° |
| N4 | C20 | C26 | H36 | 0.1° | 0.0° |
| O6 | C19 | C18 | H29 | 69.5° | 126.2° |
| O6 | C19 | C18 | H30 | 172.1° | 113.9° |
| O6 | C19 | N4 | H31 | 160.2° | 175.5° |
| C20 | C21 | C22 | H32 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 179.6° | 180.0° |
| C20 | C21 | C22 | C24 | 0.4° | 0.0° |
| C21 | C20 | C26 | C25 | 0.5° | 0.5° |
| C21 | C20 | N4 | H31 | 25.0° | 146.7° |
| C21 | C20 | C26 | H36 | 179.5° | 179.7° |
| C21 | C22 | C23 | C24 | 180.0° | 180.0° |
| C21 | C22 | C23 | O4 | 170.8° | 180.0° |
| C22 | C21 | C20 | C26 | 0.6° | 0.3° |
| C21 | C22 | C24 | C25 | 0.0° | 0.0° |
| C21 | C22 | C24 | H34 | 180.0° | 180.0° |
| O2 | C15 | C16 | H26 | 120.4° | 120.0° |
| O2 | C15 | C16 | H27 | 120.4° | 120.0° |
| C15 | O2 | C14 | C13 | 117.4° | 180.0° |
| O2 | C15 | C16 | C17 | 66.9° | 112.9° |
| C15 | O2 | C14 | H24 | 122.6° | 60.0° |
| C15 | O2 | C14 | H25 | 2.6° | 60.0° |
| O2 | C15 | H26 | H27 | 118.9° | 120.0° |
| C14 | O2 | C15 | C16 | 64.4° | 180.0° |
| O2 | C14 | C13 | O1 | 113.0° | 65.0° |
| O2 | C14 | C13 | H24 | 120.0° | 119.9° |
| O2 | C14 | C13 | H25 | 120.1° | 120.0° |
| O2 | C14 | C13 | H22 | 126.9° | 55.0° |
| O2 | C14 | C13 | H23 | 7.0° | 175.0° |
| O2 | C14 | H24 | H25 | 119.9° | 120.0° |
| C14 | O2 | C15 | H26 | 175.3° | 60.0° |
| C14 | O2 | C15 | H27 | 56.0° | 60.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | CL1 | 179.6° | 180.0° |
| C3 | C2 | C1 | C29 | 0.7° | 0.3° |
| C2 | C3 | C27 | C28 | 0.7° | 0.0° |
| C2 | C3 | C4 | H2 | 79.2° | 150.0° |
| C2 | C3 | C4 | H3 | 39.7° | 30.0° |
| C2 | C3 | C27 | H37 | 179.3° | 180.0° |
| C1 | C2 | C3 | C27 | 0.7° | 0.0° |
| C2 | C1 | CL1 | C29 | 179.7° | 179.7° |
| C2 | C1 | C29 | C28 | 0.6° | 0.5° |
| C2 | C1 | C29 | C30 | 180.0° | 179.7° |
| C16 | C15 | H26 | H27 | 118.8° | 120.0° |
| C15 | C16 | C17 | H28 | 65.7° | 169.8° |
| C3 | C27 | C28 | H37 | 180.0° | 180.0° |
| C3 | C27 | C28 | C29 | 0.6° | 0.2° |
| C27 | C3 | C2 | H1 | 179.3° | 179.9° |
| C27 | C3 | C4 | H2 | 101.0° | 30.0° |
| C27 | C3 | C4 | H3 | 140.2° | 150.0° |
| C3 | C27 | C28 | H38 | 179.3° | 180.0° |
| C23 | C22 | C24 | C25 | 180.0° | 180.0° |
| C23 | C22 | C21 | H32 | 0.4° | 0.1° |
| C22 | C23 | O4 | H33 | 179.8° | 180.0° |
| C23 | C22 | C24 | H34 | 0.0° | 0.0° |
| O4 | C23 | C22 | C24 | 9.1° | 0.0° |
| C20 | C26 | C25 | H36 | 180.0° | 179.7° |
| C20 | C26 | C25 | C24 | 0.1° | 0.5° |
| C26 | C20 | N4 | H31 | 154.5° | 33.0° |
| C26 | C20 | C21 | H32 | 179.4° | 179.8° |
| C20 | C26 | C25 | H35 | 179.9° | 179.7° |
| CL1 | C1 | C29 | C28 | 179.8° | 179.7° |
| CL1 | C1 | C29 | C30 | 0.3° | 0.0° |
| CL1 | C1 | C2 | H1 | 0.4° | 0.1° |
| C12 | O1 | C13 | C14 | 68.2° | 180.0° |
| O1 | C12 | C11 | H18 | 82.0° | 54.9° |
| O1 | C12 | C11 | H19 | 158.7° | 175.0° |
| O1 | C12 | H20 | H21 | 120.1° | 119.9° |
| C12 | O1 | C13 | H22 | 171.8° | 60.0° |
| C12 | O1 | C13 | H23 | 51.9° | 60.0° |
| O1 | C13 | C14 | H22 | 120.0° | 120.0° |
| O1 | C13 | C14 | H23 | 120.0° | 120.0° |
| C13 | O1 | C12 | H20 | 52.9° | 60.0° |
| C13 | O1 | C12 | H21 | 173.0° | 60.0° |
| O1 | C13 | H22 | H23 | 119.9° | 120.0° |
| O1 | C13 | C14 | H24 | 126.9° | 175.1° |
| O1 | C13 | C14 | H25 | 7.0° | 55.0° |
| C14 | C13 | H22 | H23 | 119.9° | 120.0° |
| C13 | C14 | H24 | H25 | 119.9° | 120.1° |
| C1 | C29 | C28 | C27 | 0.5° | 0.5° |
| C1 | C29 | C28 | C30 | 179.5° | 179.8° |
| C1 | C29 | C30 | C31 | 9.0° | 130.0° |
| C1 | C29 | C30 | C35 | 170.8° | 50.3° |
| C29 | C1 | C2 | H1 | 179.3° | 179.8° |
| C1 | C29 | C28 | H38 | 179.4° | 179.7° |
| C22 | C24 | C25 | C26 | 0.1° | 0.2° |
| C22 | C24 | C25 | H34 | 180.0° | 180.0° |
| C24 | C22 | C21 | H32 | 179.6° | 180.0° |
| C22 | C24 | C25 | H35 | 179.9° | 179.9° |
| C27 | C28 | C29 | H38 | 180.0° | 179.8° |
| C27 | C28 | C29 | C30 | 180.0° | 179.8° |
| C17 | C16 | C15 | H26 | 172.8° | 7.1° |
| C17 | C16 | C15 | H27 | 53.5° | 127.1° |
| C28 | C29 | C30 | C31 | 171.5° | 49.8° |
| C28 | C29 | C30 | C35 | 8.6° | 130.0° |
| C29 | C28 | C27 | H37 | 179.4° | 179.8° |
| C29 | C30 | C31 | C35 | 179.8° | 179.7° |
| C29 | C30 | C31 | C32 | 179.5° | 179.9° |
| C29 | C30 | C35 | C34 | 179.8° | 179.8° |
| C30 | C29 | C28 | H38 | 0.0° | 0.1° |
| C29 | C30 | C31 | H39 | 0.5° | 0.1° |
| C29 | C30 | C35 | H43 | 0.2° | 0.0° |
| C26 | C25 | C24 | H35 | 180.0° | 179.8° |
| C26 | C25 | C24 | H34 | 179.9° | 179.7° |
| C24 | C25 | C26 | H36 | 179.9° | 179.8° |
| C30 | C31 | C32 | H39 | 180.0° | 180.0° |
| C31 | C30 | C35 | C34 | 0.0° | 0.5° |
| C30 | C31 | C32 | C33 | 0.4° | 0.1° |
| C30 | C31 | C32 | H40 | 179.6° | 180.0° |
| C31 | C30 | C35 | H43 | 180.0° | 179.7° |
| C35 | C30 | C31 | C32 | 0.3° | 0.2° |
| C30 | C35 | C34 | H43 | 180.0° | 179.8° |
| C30 | C35 | C34 | C33 | 0.1° | 0.5° |
| C35 | C30 | C31 | H39 | 179.7° | 179.8° |
| C30 | C35 | C34 | H42 | 179.9° | 179.7° |
| C31 | C32 | C33 | H40 | 180.0° | 179.8° |
| C31 | C32 | C33 | C34 | 0.3° | 0.1° |
| C31 | C32 | C33 | H41 | 179.7° | 180.0° |
| C35 | C34 | C33 | C32 | 0.0° | 0.2° |
| C35 | C34 | C33 | H42 | 180.0° | 179.8° |
| C35 | C34 | C33 | H41 | 180.0° | 179.7° |
| C32 | C33 | C34 | H41 | 180.0° | 179.9° |
| C33 | C32 | C31 | H39 | 179.6° | 179.9° |
| C32 | C33 | C34 | H42 | 180.0° | 180.0° |
| C34 | C33 | C32 | H40 | 179.7° | 180.0° |
| C33 | C34 | C35 | H43 | 179.9° | 179.7° |
| H2 | C4 | N1 | H4 | 156.5° | 64.0° |
| H3 | C4 | N1 | H4 | 37.6° | 176.1° |
| H4 | N1 | C5 | H6 | 179.2° | 63.9° |
| H4 | N1 | C5 | H7 | 62.1° | 176.1° |
| H6 | C5 | C6 | H8 | 168.1° | 180.0° |
| H6 | C5 | C6 | H9 | 72.6° | 60.0° |
| H7 | C5 | C6 | H8 | 49.4° | 60.0° |
| H7 | C5 | C6 | H9 | 168.7° | 179.9° |
| H8 | C6 | C7 | H10 | 163.2° | 180.0° |
| H8 | C6 | C7 | H11 | 78.3° | 60.0° |
| H9 | C6 | C7 | H10 | 43.9° | 60.0° |
| H9 | C6 | C7 | H11 | 162.4° | 180.0° |
| H10 | C7 | C8 | H12 | 124.0° | 178.2° |
| H10 | C7 | C8 | H13 | 5.1° | 61.9° |
| H11 | C7 | C8 | H12 | 117.5° | 58.1° |
| H11 | C7 | C8 | H13 | 123.6° | 178.1° |
| H17 | N3 | C11 | H18 | 56.0° | 120.0° |
| H17 | N3 | C11 | H19 | 175.3° | 120.0° |
| H18 | C11 | C12 | H20 | 37.9° | 65.1° |
| H18 | C11 | C12 | H21 | 158.0° | 175.0° |
| H19 | C11 | C12 | H20 | 81.4° | 55.0° |
| H19 | C11 | C12 | H21 | 38.7° | 65.0° |
| H22 | C13 | C14 | H24 | 6.9° | 65.0° |
| H22 | C13 | C14 | H25 | 113.0° | 174.9° |
| H23 | C13 | C14 | H24 | 113.1° | 55.1° |
| H23 | C13 | C14 | H25 | 127.0° | 65.0° |
| H34 | C24 | C25 | H35 | 0.1° | 0.1° |
| H35 | C25 | C26 | H36 | 0.1° | 0.1° |
| H37 | C27 | C28 | H38 | 0.7° | 0.0° |
| H39 | C31 | C32 | H40 | 0.4° | 0.1° |
| H40 | C32 | C33 | H41 | 0.3° | 0.1° |
| H41 | C33 | C34 | H42 | 0.0° | 0.1° |
| H42 | C34 | C35 | H43 | 0.1° | 0.1° |
