XWP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C30 | sing | 1.51Å | 1.53Å | |
| C32 | N4 | sing | 1.46Å | 1.45Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| N5 | N4 | sing | 1.40Å | 1.36Å | Aromatic |
| N5 | C22 | doub | 1.31Å | 1.33Å | Aromatic |
| C30 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
| N4 | C21 | sing | 1.37Å | 1.36Å | Aromatic |
| N6 | C28 | sing | 1.40Å | 1.46Å | |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C22 | sing | 1.48Å | 1.39Å | |
| C25 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.47Å | 1.43Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C23 | doub | 1.41Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.43Å | Aromatic |
| C20 | C19 | doub | 1.36Å | 1.39Å | Aromatic |
| C24 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.48Å | 1.52Å | |
| C17 | N3 | sing | 1.35Å | 1.45Å | |
| C17 | O3 | doub | 1.22Å | 1.19Å | |
| N3 | C12 | sing | 1.40Å | 1.43Å | |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | N2 | sing | 1.40Å | 1.45Å | |
| C10 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C9 | sing | 1.35Å | 1.44Å | |
| C9 | O2 | doub | 1.22Å | 1.19Å | |
| C9 | C6 | sing | 1.48Å | 1.52Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.48Å | 1.53Å | |
| C2 | N1 | sing | 1.35Å | 1.45Å | |
| C2 | O1 | doub | 1.22Å | 1.18Å | |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| N6 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C29 | 116.7° | 120.1° |
| C31 | C30 | C25 | 122.5° | 120.0° |
| C30 | C31 | H24 | 109.5° | 109.5° |
| C30 | C31 | H25 | 109.5° | 109.5° |
| C30 | C31 | H23 | 109.4° | 109.4° |
| C32 | N4 | N5 | 125.4° | 125.3° |
| C32 | N4 | C21 | 126.3° | 125.3° |
| N4 | C32 | H29 | 109.5° | 109.4° |
| N4 | C32 | H28 | 109.5° | 109.5° |
| N4 | C32 | H30 | 109.5° | 109.5° |
| C30 | C29 | C28 | 120.2° | 120.1° |
| C29 | C30 | C25 | 120.8° | 119.9° |
| C30 | C29 | H22 | 119.9° | 119.9° |
| C29 | C28 | N6 | 120.5° | 120.0° |
| C29 | C28 | C27 | 119.3° | 120.1° |
| C28 | C29 | H22 | 119.9° | 120.0° |
| N4 | N5 | C22 | 110.6° | 110.0° |
| N5 | N4 | C21 | 108.2° | 109.4° |
| N5 | C22 | C25 | 124.9° | 126.3° |
| N5 | C22 | C23 | 106.5° | 107.5° |
| C30 | C25 | C22 | 120.3° | 120.0° |
| C30 | C25 | C26 | 118.6° | 119.9° |
| N4 | C21 | C23 | 108.1° | 106.9° |
| N4 | C21 | C20 | 131.4° | 133.4° |
| N6 | C28 | C27 | 120.3° | 120.0° |
| C28 | N6 | H26 | 109.5° | 120.0° |
| C28 | N6 | H27 | 109.5° | 120.0° |
| C28 | C27 | C26 | 120.7° | 120.1° |
| C28 | C27 | H21 | 119.6° | 120.0° |
| C22 | C25 | C26 | 121.1° | 120.1° |
| C25 | C22 | C23 | 128.6° | 126.2° |
| C25 | C26 | C27 | 120.4° | 119.9° |
| C25 | C26 | H20 | 119.8° | 120.1° |
| C22 | C23 | C21 | 106.5° | 106.2° |
| C22 | C23 | C24 | 134.7° | 133.9° |
| C27 | C26 | H20 | 119.8° | 120.0° |
| C26 | C27 | H21 | 119.7° | 119.9° |
| C23 | C21 | C20 | 120.5° | 119.7° |
| C21 | C23 | C24 | 118.9° | 119.9° |
| C21 | C20 | C19 | 120.5° | 120.2° |
| C21 | C20 | H18 | 119.7° | 119.9° |
| C23 | C24 | C18 | 120.0° | 119.5° |
| C23 | C24 | H19 | 120.0° | 120.3° |
| C20 | C19 | C18 | 119.4° | 120.6° |
| C20 | C19 | H17 | 120.3° | 119.7° |
| C19 | C20 | H18 | 119.7° | 119.9° |
| C24 | C18 | C19 | 120.7° | 120.1° |
| C24 | C18 | C17 | 118.1° | 119.9° |
| C18 | C24 | H19 | 120.0° | 120.3° |
| C19 | C18 | C17 | 121.1° | 119.9° |
| C18 | C19 | H17 | 120.3° | 119.7° |
| C18 | C17 | N3 | 114.7° | 120.0° |
| C18 | C17 | O3 | 122.4° | 120.0° |
| N3 | C17 | O3 | 122.9° | 120.0° |
| C17 | N3 | C12 | 122.5° | 120.0° |
| C17 | N3 | H16 | 118.8° | 120.0° |
| N3 | C12 | C11 | 117.5° | 120.0° |
| N3 | C12 | C13 | 120.8° | 120.0° |
| C12 | N3 | H16 | 118.7° | 120.0° |
| C11 | C12 | C13 | 121.7° | 120.0° |
| C12 | C11 | C10 | 118.9° | 119.8° |
| C12 | C11 | H10 | 120.6° | 120.1° |
| C12 | C13 | C14 | 119.2° | 120.1° |
| C12 | C13 | H11 | 120.4° | 120.0° |
| C11 | C10 | N2 | 123.4° | 120.0° |
| C11 | C10 | C15 | 119.6° | 119.9° |
| C10 | C11 | H10 | 120.6° | 120.1° |
| C13 | C14 | C15 | 119.7° | 120.1° |
| C14 | C13 | H11 | 120.4° | 120.0° |
| C13 | C14 | H12 | 120.1° | 119.9° |
| N2 | C10 | C15 | 116.9° | 120.0° |
| C10 | N2 | C9 | 125.6° | 120.0° |
| C10 | N2 | H9 | 117.2° | 120.0° |
| C10 | C15 | C14 | 120.9° | 120.1° |
| C10 | C15 | C16 | 121.0° | 119.9° |
| N2 | C9 | O2 | 122.9° | 120.0° |
| N2 | C9 | C6 | 114.9° | 120.0° |
| C9 | N2 | H9 | 117.2° | 120.0° |
| O2 | C9 | C6 | 121.8° | 120.0° |
| C9 | C6 | C5 | 119.0° | 120.0° |
| C9 | C6 | C7 | 119.4° | 120.0° |
| C14 | C15 | C16 | 118.1° | 120.0° |
| C15 | C14 | H12 | 120.2° | 120.0° |
| C6 | C5 | C4 | 119.8° | 120.0° |
| C5 | C6 | C7 | 121.2° | 120.0° |
| C6 | C5 | H6 | 120.1° | 120.0° |
| C5 | C4 | C3 | 118.8° | 120.0° |
| C5 | C4 | H5 | 120.6° | 120.0° |
| C4 | C5 | H6 | 120.1° | 120.0° |
| C6 | C7 | C8 | 118.7° | 120.0° |
| C6 | C7 | H7 | 120.6° | 120.1° |
| C15 | C16 | H13 | 109.5° | 109.5° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| C15 | C16 | H15 | 109.4° | 109.5° |
| C4 | C3 | C8 | 121.0° | 120.0° |
| C4 | C3 | C2 | 119.8° | 120.0° |
| C3 | C4 | H5 | 120.6° | 120.0° |
| C7 | C8 | C3 | 120.4° | 120.0° |
| C8 | C7 | H7 | 120.7° | 120.0° |
| C7 | C8 | H8 | 119.8° | 120.0° |
| C8 | C3 | C2 | 119.2° | 120.0° |
| C3 | C8 | H8 | 119.8° | 120.0° |
| C3 | C2 | N1 | 119.5° | 120.0° |
| C3 | C2 | O1 | 119.7° | 120.0° |
| N1 | C2 | O1 | 120.7° | 120.0° |
| C2 | N1 | C1 | 119.2° | 120.0° |
| C2 | N1 | H4 | 120.4° | 120.0° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| C1 | N1 | H4 | 120.4° | 120.0° |
| H2 | C1 | H1 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H15 | 109.4° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H24 | C31 | H25 | 109.5° | 109.5° |
| H24 | C31 | H23 | 109.5° | 109.5° |
| H25 | C31 | H23 | 109.4° | 109.5° |
| H29 | C32 | H28 | 109.5° | 109.5° |
| H29 | C32 | H30 | 109.4° | 109.5° |
| H28 | C32 | H30 | 109.5° | 109.5° |
| H26 | N6 | H27 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C29 | C25 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 179.5° | 180.0° |
| C31 | C30 | C25 | C22 | 0.3° | 0.1° |
| C31 | C30 | C25 | C26 | 179.8° | 179.8° |
| C31 | C30 | C29 | H22 | 0.5° | 0.1° |
| C30 | C31 | H24 | H25 | 120.0° | 120.1° |
| C30 | C31 | H24 | H23 | 120.0° | 120.0° |
| C30 | C31 | H25 | H23 | 120.0° | 119.9° |
| C32 | N4 | N5 | C21 | 179.5° | 179.9° |
| C32 | N4 | N5 | C22 | 179.7° | 180.0° |
| C32 | N4 | C21 | C23 | 179.7° | 180.0° |
| C32 | N4 | C21 | C20 | 0.8° | 0.1° |
| N4 | C32 | H29 | H28 | 120.0° | 120.0° |
| N4 | C32 | H29 | H30 | 120.0° | 120.1° |
| N4 | C32 | H28 | H30 | 120.0° | 120.0° |
| C30 | C29 | C28 | H22 | 180.0° | 179.9° |
| C30 | C29 | C28 | N6 | 179.7° | 180.0° |
| C30 | C29 | C28 | C27 | 0.8° | 0.2° |
| C29 | C30 | C25 | C22 | 179.7° | 180.0° |
| C29 | C30 | C25 | C26 | 0.2° | 0.3° |
| C29 | C30 | C31 | H24 | 90.0° | 89.9° |
| C29 | C30 | C31 | H25 | 150.0° | 150.0° |
| C29 | C30 | C31 | H23 | 30.0° | 30.1° |
| C28 | C29 | C30 | C25 | 0.5° | 0.1° |
| C29 | C28 | N6 | C27 | 178.8° | 179.8° |
| C29 | C28 | C27 | C26 | 0.9° | 0.2° |
| C29 | C28 | C27 | H21 | 179.1° | 179.7° |
| C29 | C28 | N6 | H26 | 180.0° | 0.0° |
| C29 | C28 | N6 | H27 | 60.0° | 180.0° |
| N4 | N5 | C22 | C25 | 178.2° | 180.0° |
| N4 | N5 | C22 | C23 | 0.1° | 0.0° |
| N5 | N4 | C21 | C23 | 0.3° | 0.1° |
| N5 | N4 | C21 | C20 | 179.7° | 180.0° |
| N5 | N4 | C32 | H29 | 0.0° | 90.0° |
| N5 | N4 | C32 | H28 | 120.0° | 30.0° |
| N5 | N4 | C32 | H30 | 120.0° | 150.0° |
| N5 | C22 | C25 | C30 | 41.1° | 48.0° |
| C22 | N5 | N4 | C21 | 0.2° | 0.0° |
| N5 | C22 | C25 | C23 | 178.0° | 180.0° |
| N5 | C22 | C25 | C26 | 139.4° | 132.3° |
| N5 | C22 | C23 | C21 | 0.0° | 0.0° |
| N5 | C22 | C23 | C24 | 180.0° | 179.7° |
| C30 | C25 | C22 | C26 | 179.5° | 179.8° |
| C30 | C25 | C22 | C23 | 136.8° | 132.0° |
| C30 | C25 | C26 | C27 | 0.2° | 0.2° |
| C25 | C30 | C29 | H22 | 179.5° | 180.0° |
| C30 | C25 | C26 | H20 | 179.8° | 179.7° |
| C25 | C30 | C31 | H24 | 90.0° | 90.0° |
| C25 | C30 | C31 | H25 | 30.0° | 30.1° |
| C25 | C30 | C31 | H23 | 150.0° | 150.0° |
| N4 | C21 | C23 | C22 | 0.2° | 0.1° |
| N4 | C21 | C23 | C20 | 179.5° | 179.9° |
| N4 | C21 | C23 | C24 | 179.8° | 179.8° |
| N4 | C21 | C20 | C19 | 179.2° | 179.8° |
| N4 | C21 | C20 | H18 | 0.8° | 0.0° |
| C21 | N4 | C32 | H29 | 179.3° | 90.1° |
| C21 | N4 | C32 | H28 | 60.6° | 149.9° |
| C21 | N4 | C32 | H30 | 59.3° | 29.9° |
| N6 | C28 | C27 | C26 | 179.7° | 180.0° |
| N6 | C28 | C29 | H22 | 0.3° | 0.0° |
| N6 | C28 | C27 | H21 | 0.3° | 0.0° |
| C28 | N6 | H26 | H27 | 120.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.5° | 0.0° |
| C28 | C27 | C26 | H21 | 180.0° | 180.0° |
| C27 | C28 | C29 | H22 | 179.2° | 179.7° |
| C28 | C27 | C26 | H20 | 179.4° | 180.0° |
| C27 | C28 | N6 | H26 | 1.2° | 179.8° |
| C27 | C28 | N6 | H27 | 121.2° | 0.2° |
| C22 | C25 | C26 | C27 | 179.7° | 180.0° |
| C25 | C22 | C23 | C21 | 178.3° | 180.0° |
| C25 | C22 | C23 | C24 | 1.7° | 0.3° |
| C22 | C25 | C26 | H20 | 0.3° | 0.1° |
| C26 | C25 | C22 | C23 | 42.7° | 47.8° |
| C25 | C26 | C27 | H20 | 180.0° | 179.9° |
| C25 | C26 | C27 | H21 | 179.4° | 180.0° |
| C22 | C23 | C21 | C24 | 180.0° | 179.7° |
| C22 | C23 | C21 | C20 | 179.7° | 180.0° |
| C22 | C23 | C24 | C18 | 179.3° | 179.6° |
| C22 | C23 | C24 | H19 | 0.7° | 0.4° |
| C23 | C21 | C20 | C19 | 0.2° | 0.3° |
| C21 | C23 | C24 | C18 | 0.7° | 0.0° |
| C21 | C23 | C24 | H19 | 179.3° | 180.0° |
| C23 | C21 | C20 | H18 | 179.8° | 180.0° |
| C20 | C21 | C23 | C24 | 0.3° | 0.3° |
| C21 | C20 | C19 | H18 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.3° | 0.0° |
| C21 | C20 | C19 | H17 | 179.7° | 180.0° |
| C23 | C24 | C18 | H19 | 180.0° | 180.0° |
| C23 | C24 | C18 | C19 | 0.6° | 0.3° |
| C23 | C24 | C18 | C17 | 179.6° | 180.0° |
| C20 | C19 | C18 | C24 | 0.1° | 0.3° |
| C20 | C19 | C18 | H17 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 179.1° | 180.0° |
| C24 | C18 | C19 | C17 | 178.9° | 179.7° |
| C24 | C18 | C17 | N3 | 23.9° | 179.7° |
| C24 | C18 | C17 | O3 | 154.7° | 0.3° |
| C24 | C18 | C19 | H17 | 179.9° | 179.8° |
| C19 | C18 | C17 | N3 | 157.1° | 0.0° |
| C19 | C18 | C17 | O3 | 24.3° | 180.0° |
| C19 | C18 | C24 | H19 | 179.4° | 179.7° |
| C18 | C19 | C20 | H18 | 179.7° | 179.8° |
| C18 | C17 | N3 | O3 | 178.6° | 180.0° |
| C18 | C17 | N3 | C12 | 177.1° | 175.1° |
| C17 | C18 | C19 | H17 | 0.9° | 0.0° |
| C17 | C18 | C24 | H19 | 0.4° | 0.0° |
| C18 | C17 | N3 | H16 | 2.9° | 4.8° |
| C17 | N3 | C12 | H16 | 180.0° | 179.9° |
| C17 | N3 | C12 | C11 | 132.6° | 144.6° |
| C17 | N3 | C12 | C13 | 44.9° | 35.5° |
| O3 | C17 | N3 | C12 | 1.5° | 4.9° |
| O3 | C17 | N3 | H16 | 178.5° | 175.1° |
| N3 | C12 | C11 | C13 | 177.5° | 179.9° |
| N3 | C12 | C11 | C10 | 177.8° | 180.0° |
| N3 | C12 | C13 | C14 | 178.6° | 179.9° |
| N3 | C12 | C11 | H10 | 2.2° | 0.3° |
| N3 | C12 | C13 | H11 | 1.3° | 0.0° |
| C12 | C11 | C10 | H10 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 1.2° | 0.0° |
| C12 | C11 | C10 | N2 | 176.3° | 179.7° |
| C12 | C11 | C10 | C15 | 1.0° | 0.3° |
| C11 | C12 | C13 | H11 | 178.7° | 180.0° |
| C11 | C12 | N3 | H16 | 47.4° | 35.4° |
| C13 | C12 | C11 | C10 | 0.3° | 0.0° |
| C12 | C13 | C14 | H11 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.8° | 0.2° |
| C13 | C12 | C11 | H10 | 179.7° | 179.7° |
| C12 | C13 | C14 | H12 | 179.2° | 180.0° |
| C13 | C12 | N3 | H16 | 135.1° | 144.5° |
| C11 | C10 | N2 | C15 | 175.4° | 180.0° |
| C11 | C10 | N2 | C9 | 101.6° | 21.0° |
| C11 | C10 | C15 | C14 | 1.4° | 0.6° |
| C11 | C10 | C15 | C16 | 178.4° | 180.0° |
| C11 | C10 | N2 | H9 | 78.4° | 159.1° |
| C13 | C14 | C15 | C10 | 0.5° | 0.5° |
| C13 | C14 | C15 | H12 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 179.3° | 180.0° |
| C10 | N2 | C9 | H9 | 180.0° | 179.9° |
| C10 | N2 | C9 | O2 | 1.7° | 5.4° |
| C10 | N2 | C9 | C6 | 174.6° | 174.5° |
| N2 | C10 | C15 | C14 | 177.0° | 179.5° |
| N2 | C10 | C15 | C16 | 2.8° | 0.0° |
| N2 | C10 | C11 | H10 | 3.7° | 0.0° |
| C15 | C10 | N2 | C9 | 83.0° | 159.0° |
| C10 | C15 | C14 | C16 | 179.8° | 179.4° |
| C15 | C10 | N2 | H9 | 97.0° | 20.9° |
| C15 | C10 | C11 | H10 | 179.0° | 180.0° |
| C10 | C15 | C14 | H12 | 179.5° | 179.7° |
| C10 | C15 | C16 | H13 | 90.1° | 90.0° |
| C10 | C15 | C16 | H14 | 149.9° | 150.0° |
| C10 | C15 | C16 | H15 | 29.9° | 30.0° |
| N2 | C9 | O2 | C6 | 172.4° | 179.9° |
| N2 | C9 | C6 | C5 | 3.0° | 180.0° |
| N2 | C9 | C6 | C7 | 176.4° | 0.1° |
| O2 | C9 | C6 | C5 | 169.9° | 0.1° |
| O2 | C9 | C6 | C7 | 3.4° | 180.0° |
| O2 | C9 | N2 | H9 | 178.3° | 174.5° |
| C9 | C6 | C5 | C7 | 173.2° | 179.9° |
| C9 | C6 | C5 | C4 | 174.8° | 180.0° |
| C9 | C6 | C7 | C8 | 176.0° | 180.0° |
| C6 | C9 | N2 | H9 | 5.4° | 5.6° |
| C9 | C6 | C5 | H6 | 5.2° | 0.1° |
| C9 | C6 | C7 | H7 | 4.0° | 0.1° |
| C15 | C14 | C13 | H11 | 179.2° | 179.7° |
| C14 | C15 | C16 | H13 | 90.1° | 90.5° |
| C14 | C15 | C16 | H14 | 29.9° | 29.5° |
| C14 | C15 | C16 | H15 | 149.9° | 149.5° |
| C6 | C5 | C4 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C5 | C6 | C7 | C8 | 2.8° | 0.1° |
| C6 | C5 | C4 | H5 | 179.7° | 180.0° |
| C5 | C6 | C7 | H7 | 177.2° | 180.0° |
| C4 | C5 | C6 | C7 | 1.6° | 0.1° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C8 | 1.0° | 0.0° |
| C5 | C4 | C3 | C2 | 178.8° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 179.8° |
| C6 | C7 | C8 | C3 | 2.2° | 0.1° |
| C7 | C6 | C5 | H6 | 178.4° | 180.0° |
| C6 | C7 | C8 | H8 | 177.8° | 179.7° |
| C16 | C15 | C14 | H12 | 0.7° | 0.3° |
| C15 | C16 | H13 | H14 | 120.0° | 120.0° |
| C15 | C16 | H13 | H15 | 120.0° | 120.0° |
| C15 | C16 | H14 | H15 | 120.0° | 120.0° |
| C4 | C3 | C8 | C7 | 0.3° | 0.1° |
| C4 | C3 | C8 | C2 | 179.8° | 179.7° |
| C4 | C3 | C2 | N1 | 162.9° | 0.3° |
| C4 | C3 | C2 | O1 | 18.1° | 179.7° |
| C3 | C4 | C5 | H6 | 179.7° | 180.0° |
| C4 | C3 | C8 | H8 | 179.7° | 179.8° |
| C7 | C8 | C3 | H8 | 180.0° | 179.8° |
| C7 | C8 | C3 | C2 | 179.9° | 179.7° |
| C8 | C3 | C2 | N1 | 16.9° | 180.0° |
| C8 | C3 | C2 | O1 | 162.1° | 0.0° |
| C8 | C3 | C4 | H5 | 179.0° | 180.0° |
| C3 | C8 | C7 | H7 | 177.8° | 180.0° |
| C3 | C2 | N1 | O1 | 179.0° | 180.0° |
| C3 | C2 | N1 | C1 | 179.4° | 180.0° |
| C2 | C3 | C4 | H5 | 1.2° | 0.3° |
| C2 | C3 | C8 | H8 | 0.1° | 0.1° |
| C3 | C2 | N1 | H4 | 0.7° | 0.1° |
| C2 | N1 | C1 | H4 | 180.0° | 179.9° |
| C2 | N1 | C1 | H2 | 180.0° | 60.0° |
| C2 | N1 | C1 | H1 | 60.0° | 180.0° |
| C2 | N1 | C1 | H3 | 60.0° | 60.0° |
| O1 | C2 | N1 | C1 | 0.3° | 0.0° |
| O1 | C2 | N1 | H4 | 179.7° | 179.9° |
| N1 | C1 | H2 | H1 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| H2 | C1 | H1 | H3 | 120.0° | 120.0° |
| H2 | C1 | N1 | H4 | 0.0° | 120.1° |
| H1 | C1 | N1 | H4 | 120.1° | 0.1° |
| H3 | C1 | N1 | H4 | 120.0° | 119.9° |
| H5 | C4 | C5 | H6 | 0.3° | 0.0° |
| H17 | C19 | C20 | H18 | 0.3° | 0.2° |
| H11 | C13 | C14 | H12 | 0.9° | 0.0° |
| H13 | C16 | H14 | H15 | 120.0° | 120.0° |
| H20 | C26 | C27 | H21 | 0.6° | 0.0° |
| H24 | C31 | H25 | H23 | 120.0° | 120.0° |
| H29 | C32 | H28 | H30 | 120.0° | 120.0° |
| H7 | C7 | C8 | H8 | 2.2° | 0.1° |
