LBA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C21 | sing | 1.43Å | 1.46Å | |
| C18 | O19 | sing | 1.36Å | 1.39Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| O19 | C20 | sing | 1.43Å | 1.42Å | |
| O24 | C25 | sing | 1.36Å | 1.36Å | |
| O24 | C23 | sing | 1.43Å | 1.44Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| O22 | H9 | sing | 0.97Å | 0.95Å | |
| C18 | C1 | sing | 1.39Å | 4.94Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 0.00Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 0.00Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 0.00Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 0.00Å | Aromatic |
| C5 | C18 | doub | 1.39Å | 4.94Å | Aromatic |
| C25 | C6 | sing | 1.39Å | 4.42Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 0.00Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 0.00Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 0.00Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 0.00Å | Aromatic |
| C10 | C25 | doub | 1.39Å | 4.42Å | Aromatic |
| C3 | C24 | sing | 1.48Å | 0.00Å | |
| C8 | C22 | sing | 1.48Å | 0.00Å | |
| C24 | N2 | sing | 1.37Å | 0.00Å | Aromatic |
| N2 | C13 | sing | 1.38Å | 0.00Å | Aromatic |
| C13 | C14 | sing | 1.41Å | 0.00Å | Aromatic |
| C14 | N1 | sing | 1.35Å | 0.00Å | Aromatic |
| N1 | C24 | doub | 1.31Å | 0.00Å | Aromatic |
| C22 | N4 | sing | 1.37Å | 0.00Å | Aromatic |
| N4 | C16 | sing | 1.38Å | 0.00Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 0.00Å | Aromatic |
| C17 | N3 | sing | 1.36Å | 0.00Å | Aromatic |
| N3 | C22 | doub | 1.31Å | 0.00Å | Aromatic |
| C17 | C11 | doub | 1.40Å | 0.00Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 0.00Å | Aromatic |
| C12 | C15 | doub | 1.40Å | 0.00Å | Aromatic |
| C15 | C19 | sing | 1.37Å | 0.00Å | Aromatic |
| C19 | C16 | doub | 1.39Å | 0.00Å | Aromatic |
| C14 | C26 | doub | 1.40Å | 0.00Å | Aromatic |
| C26 | C27 | sing | 1.36Å | 0.00Å | Aromatic |
| C27 | C28 | doub | 1.40Å | 0.00Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 0.00Å | Aromatic |
| C29 | C13 | doub | 1.38Å | 0.00Å | Aromatic |
| C28 | C30 | sing | 1.47Å | 0.00Å | |
| C30 | O3 | sing | 1.35Å | 0.00Å | |
| C30 | O4 | doub | 1.22Å | 0.00Å | |
| C1 | H1 | sing | 1.08Å | 0.00Å | |
| C2 | H2 | sing | 1.08Å | 0.00Å | |
| C4 | H3 | sing | 1.08Å | 0.00Å | |
| C5 | H10 | sing | 1.08Å | 0.00Å | |
| C6 | H11 | sing | 1.08Å | 0.00Å | |
| C7 | H12 | sing | 1.08Å | 0.00Å | |
| C9 | H13 | sing | 1.08Å | 0.00Å | |
| C10 | H14 | sing | 1.08Å | 0.00Å | |
| N2 | H15 | sing | 0.97Å | 0.00Å | |
| N4 | H16 | sing | 0.97Å | 0.00Å | |
| C11 | H17 | sing | 1.08Å | 0.00Å | |
| C15 | H18 | sing | 1.08Å | 0.00Å | |
| C19 | H19 | sing | 1.08Å | 0.00Å | |
| C26 | H20 | sing | 1.08Å | 0.00Å | |
| C27 | H21 | sing | 1.08Å | 0.00Å | |
| C29 | H22 | sing | 1.08Å | 0.00Å | |
| O3 | H23 | sing | 0.97Å | 0.00Å | |
| C12 | C31 | sing | 1.48Å | 0.00Å | |
| C31 | O2 | sing | 1.35Å | 0.00Å | |
| C31 | O1 | doub | 1.21Å | 0.00Å | |
| O2 | H24 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C21 | C20 | 115.8° | 109.5° |
| O22 | C21 | C23 | 107.6° | 109.4° |
| O22 | C21 | H8 | 110.5° | 109.4° |
| C21 | O22 | H9 | 109.5° | 113.9° |
| C18 | O19 | C20 | 117.6° | 117.0° |
| O19 | C18 | C1 | 54.8° | 119.9° |
| O19 | C18 | C5 | 54.8° | 119.9° |
| C20 | C21 | C23 | 103.8° | 109.5° |
| C21 | C20 | O19 | 112.7° | 109.5° |
| C21 | C20 | H6 | 108.6° | 109.5° |
| C21 | C20 | H7 | 108.7° | 109.4° |
| C20 | C21 | H8 | 109.4° | 109.5° |
| C21 | C23 | O24 | 111.8° | 109.5° |
| C21 | C23 | H4 | 108.9° | 109.5° |
| C21 | C23 | H5 | 108.9° | 109.5° |
| C23 | C21 | H8 | 109.5° | 109.5° |
| O19 | C20 | H6 | 108.7° | 109.5° |
| O19 | C20 | H7 | 108.6° | 109.5° |
| C25 | O24 | C23 | 118.3° | 117.0° |
| O24 | C25 | C6 | 51.9° | 119.9° |
| O24 | C25 | C10 | 51.9° | 119.9° |
| O24 | C23 | H4 | 108.9° | 109.5° |
| O24 | C23 | H5 | 108.9° | 109.5° |
| H4 | C23 | H5 | 109.4° | 109.4° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| C18 | C1 | C2 | 90.0° | 120.1° |
| C1 | C18 | C5 | 0.0° | 120.2° |
| C18 | C1 | H1 | 90.0° | 120.0° |
| C1 | C2 | C3 | 90.0° | 119.9° |
| C2 | C1 | H1 | 90.0° | 119.9° |
| C1 | C2 | H2 | 90.0° | 120.1° |
| C2 | C3 | C4 | 90.0° | 119.8° |
| C2 | C3 | C24 | 90.0° | 120.1° |
| C3 | C2 | H2 | 90.0° | 120.0° |
| C3 | C4 | C5 | 90.0° | 119.9° |
| C4 | C3 | C24 | 90.0° | 120.1° |
| C3 | C4 | H3 | 90.0° | 120.1° |
| C4 | C5 | C18 | 90.0° | 120.1° |
| C5 | C4 | H3 | 90.0° | 120.0° |
| C4 | C5 | H10 | 90.0° | 119.9° |
| C18 | C5 | H10 | 90.0° | 120.0° |
| C25 | C6 | C7 | 90.0° | 120.1° |
| C6 | C25 | C10 | 0.0° | 120.2° |
| C25 | C6 | H11 | 90.0° | 119.9° |
| C6 | C7 | C8 | 90.0° | 119.9° |
| C7 | C6 | H11 | 90.0° | 120.0° |
| C6 | C7 | H12 | 90.0° | 120.1° |
| C7 | C8 | C9 | 90.0° | 119.9° |
| C7 | C8 | C22 | 90.0° | 120.1° |
| C8 | C7 | H12 | 90.0° | 120.1° |
| C8 | C9 | C10 | 90.0° | 119.9° |
| C9 | C8 | C22 | 90.0° | 120.0° |
| C8 | C9 | H13 | 90.0° | 120.1° |
| C9 | C10 | C25 | 90.0° | 120.1° |
| C10 | C9 | H13 | 90.0° | 120.1° |
| C9 | C10 | H14 | 90.0° | 119.9° |
| C25 | C10 | H14 | 90.0° | 120.0° |
| C3 | C24 | N2 | 90.0° | 125.2° |
| C3 | C24 | N1 | 90.0° | 125.1° |
| C8 | C22 | N4 | 90.0° | 125.1° |
| C8 | C22 | N3 | 90.0° | 125.1° |
| C24 | N2 | C13 | 90.0° | 107.1° |
| N2 | C24 | N1 | 90.0° | 109.7° |
| C24 | N2 | H15 | 90.0° | 126.5° |
| N2 | C13 | C14 | 90.0° | 106.1° |
| N2 | C13 | C29 | 90.0° | 133.9° |
| C13 | N2 | H15 | 90.0° | 126.5° |
| C13 | C14 | N1 | 90.0° | 107.2° |
| C13 | C14 | C26 | 90.0° | 119.7° |
| C14 | C13 | C29 | 90.0° | 120.0° |
| C14 | N1 | C24 | 90.0° | 109.8° |
| N1 | C14 | C26 | 90.0° | 133.1° |
| C22 | N4 | C16 | 90.0° | 107.3° |
| N4 | C22 | N3 | 90.0° | 109.8° |
| C22 | N4 | H16 | 90.0° | 126.4° |
| N4 | C16 | C17 | 90.0° | 106.1° |
| N4 | C16 | C19 | 90.0° | 133.7° |
| C16 | N4 | H16 | 90.0° | 126.3° |
| C16 | C17 | N3 | 90.0° | 107.2° |
| C16 | C17 | C11 | 90.0° | 119.5° |
| C17 | C16 | C19 | 90.0° | 120.2° |
| C17 | N3 | C22 | 90.0° | 109.5° |
| N3 | C17 | C11 | 90.0° | 133.3° |
| C17 | C11 | C12 | 90.0° | 119.5° |
| C17 | C11 | H17 | 90.0° | 120.2° |
| C11 | C12 | C15 | 90.0° | 120.2° |
| C12 | C11 | H17 | 90.0° | 120.3° |
| C11 | C12 | C31 | 90.0° | 119.9° |
| C12 | C15 | C19 | 90.0° | 120.5° |
| C12 | C15 | H18 | 90.0° | 119.8° |
| C15 | C12 | C31 | 90.0° | 119.9° |
| C15 | C19 | C16 | 90.0° | 120.2° |
| C19 | C15 | H18 | 90.0° | 119.7° |
| C15 | C19 | H19 | 90.0° | 119.9° |
| C16 | C19 | H19 | 90.0° | 119.9° |
| C14 | C26 | C27 | 90.0° | 120.1° |
| C14 | C26 | H20 | 90.0° | 119.9° |
| C26 | C27 | C28 | 90.0° | 120.5° |
| C27 | C26 | H20 | 90.0° | 120.0° |
| C26 | C27 | H21 | 90.0° | 119.8° |
| C27 | C28 | C29 | 90.0° | 120.1° |
| C27 | C28 | C30 | 90.0° | 119.9° |
| C28 | C27 | H21 | 90.0° | 119.7° |
| C28 | C29 | C13 | 90.0° | 119.6° |
| C29 | C28 | C30 | 90.0° | 119.9° |
| C28 | C29 | H22 | 90.0° | 120.2° |
| C13 | C29 | H22 | 90.0° | 120.2° |
| C28 | C30 | O3 | 90.0° | 120.0° |
| C28 | C30 | O4 | 90.0° | 120.0° |
| O3 | C30 | O4 | 90.0° | 120.0° |
| C30 | O3 | H23 | 90.0° | 117.0° |
| C12 | C31 | O2 | 90.0° | 120.0° |
| C12 | C31 | O1 | 90.0° | 120.0° |
| O2 | C31 | O1 | 90.0° | 120.0° |
| C31 | O2 | H24 | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C21 | C20 | C23 | 117.6° | 120.0° |
| O22 | C21 | C20 | H8 | 125.6° | 120.0° |
| O22 | C21 | C23 | H8 | 120.1° | 119.9° |
| O22 | C21 | C20 | O19 | 49.9° | 65.0° |
| O22 | C21 | C23 | O24 | 82.0° | 65.0° |
| O22 | C21 | C23 | H4 | 157.7° | 175.0° |
| O22 | C21 | C23 | H5 | 38.4° | 55.1° |
| O22 | C21 | C20 | H6 | 70.5° | 175.0° |
| O22 | C21 | C20 | H7 | 170.4° | 55.0° |
| C18 | O19 | C20 | C21 | 122.1° | 180.0° |
| C18 | O19 | C20 | H6 | 117.5° | 60.0° |
| C18 | O19 | C20 | H7 | 1.6° | 60.0° |
| O19 | C18 | C1 | C5 | 90.0° | 179.8° |
| O19 | C18 | C1 | C2 | 90.0° | 180.0° |
| O19 | C18 | C5 | C4 | 90.0° | 179.8° |
| O19 | C18 | C1 | H1 | 90.0° | 0.0° |
| O19 | C18 | C5 | H10 | 90.0° | 0.2° |
| C20 | C21 | C23 | H8 | 116.8° | 120.0° |
| C21 | C20 | O19 | H6 | 120.5° | 120.0° |
| C21 | C20 | O19 | H7 | 120.5° | 120.0° |
| C20 | C21 | C23 | O24 | 154.9° | 175.0° |
| C20 | C21 | C23 | H4 | 34.5° | 55.0° |
| C20 | C21 | C23 | H5 | 84.7° | 65.0° |
| C21 | C20 | H6 | H7 | 118.5° | 120.0° |
| C20 | C21 | O22 | H9 | 128.5° | 59.9° |
| C23 | C21 | C20 | O19 | 167.5° | 175.0° |
| C21 | C23 | O24 | C25 | 117.0° | 180.0° |
| C21 | C23 | O24 | H4 | 120.3° | 120.0° |
| C21 | C23 | O24 | H5 | 120.4° | 120.0° |
| C21 | C23 | H4 | H5 | 118.9° | 120.0° |
| C23 | C21 | C20 | H6 | 47.0° | 55.0° |
| C23 | C21 | C20 | H7 | 72.0° | 65.0° |
| C23 | C21 | O22 | H9 | 116.1° | 60.1° |
| O19 | C20 | H6 | H7 | 118.5° | 120.0° |
| O19 | C20 | C21 | H8 | 75.7° | 55.0° |
| C20 | O19 | C18 | C1 | 82.4° | 180.0° |
| C20 | O19 | C18 | C5 | 82.4° | 0.3° |
| C25 | O24 | C23 | H4 | 122.7° | 59.9° |
| C25 | O24 | C23 | H5 | 3.4° | 60.0° |
| O24 | C25 | C6 | C10 | 90.0° | 179.8° |
| O24 | C25 | C6 | C7 | 90.0° | 180.0° |
| O24 | C25 | C10 | C9 | 90.0° | 179.7° |
| O24 | C25 | C6 | H11 | 90.0° | 0.0° |
| O24 | C25 | C10 | H14 | 90.0° | 0.2° |
| O24 | C23 | H4 | H5 | 118.9° | 120.0° |
| O24 | C23 | C21 | H8 | 38.1° | 55.0° |
| C23 | O24 | C25 | C6 | 98.5° | 180.0° |
| C23 | O24 | C25 | C10 | 98.5° | 0.2° |
| H4 | C23 | C21 | H8 | 82.2° | 65.1° |
| H5 | C23 | C21 | H8 | 158.5° | 175.0° |
| H6 | C20 | C21 | H8 | 163.9° | 65.0° |
| H7 | C20 | C21 | H8 | 44.8° | 175.0° |
| H8 | C21 | O22 | H9 | 3.4° | 180.0° |
| C18 | C1 | C2 | H1 | 90.0° | 180.0° |
| C18 | C1 | C2 | C3 | 90.0° | 0.0° |
| C1 | C18 | C5 | C4 | 90.0° | 0.5° |
| C18 | C1 | C2 | H2 | 90.0° | 180.0° |
| C1 | C18 | C5 | H10 | 90.0° | 179.9° |
| C1 | C2 | C3 | H2 | 90.0° | 180.0° |
| C1 | C2 | C3 | C4 | 90.0° | 0.0° |
| C2 | C1 | C18 | C5 | 90.0° | 0.3° |
| C1 | C2 | C3 | C24 | 90.0° | 180.0° |
| C2 | C3 | C4 | C24 | 90.0° | 180.0° |
| C2 | C3 | C4 | C5 | 90.0° | 0.2° |
| C2 | C3 | C24 | N2 | 90.0° | 180.0° |
| C2 | C3 | C24 | N1 | 90.0° | 0.3° |
| C3 | C2 | C1 | H1 | 90.0° | 180.0° |
| C2 | C3 | C4 | H3 | 90.0° | 179.9° |
| C3 | C4 | C5 | H3 | 90.0° | 179.8° |
| C3 | C4 | C5 | C18 | 90.0° | 0.4° |
| C4 | C3 | C24 | N2 | 90.0° | 0.0° |
| C4 | C3 | C24 | N1 | 90.0° | 179.7° |
| C4 | C3 | C2 | H2 | 90.0° | 180.0° |
| C3 | C4 | C5 | H10 | 90.0° | 180.0° |
| C4 | C5 | C18 | H10 | 90.0° | 179.6° |
| C5 | C4 | C3 | C24 | 90.0° | 179.8° |
| C5 | C18 | C1 | H1 | 90.0° | 179.8° |
| C18 | C5 | C4 | H3 | 90.0° | 179.7° |
| C25 | C6 | C7 | H11 | 90.0° | 180.0° |
| C25 | C6 | C7 | C8 | 90.0° | 0.1° |
| C6 | C25 | C10 | C9 | 90.0° | 0.5° |
| C25 | C6 | C7 | H12 | 90.0° | 180.0° |
| C6 | C25 | C10 | H14 | 90.0° | 180.0° |
| C6 | C7 | C8 | H12 | 90.0° | 179.9° |
| C6 | C7 | C8 | C9 | 90.0° | 0.1° |
| C7 | C6 | C25 | C10 | 90.0° | 0.2° |
| C6 | C7 | C8 | C22 | 90.0° | 179.9° |
| C7 | C8 | C9 | C22 | 90.0° | 180.0° |
| C7 | C8 | C9 | C10 | 90.0° | 0.2° |
| C7 | C8 | C22 | N4 | 90.0° | 180.0° |
| C7 | C8 | C22 | N3 | 90.0° | 0.3° |
| C8 | C7 | C6 | H11 | 90.0° | 180.0° |
| C7 | C8 | C9 | H13 | 90.0° | 180.0° |
| C8 | C9 | C10 | H13 | 90.0° | 179.8° |
| C8 | C9 | C10 | C25 | 90.0° | 0.5° |
| C9 | C8 | C22 | N4 | 90.0° | 0.0° |
| C9 | C8 | C22 | N3 | 90.0° | 179.7° |
| C9 | C8 | C7 | H12 | 90.0° | 180.0° |
| C8 | C9 | C10 | H14 | 90.0° | 180.0° |
| C9 | C10 | C25 | H14 | 90.0° | 179.5° |
| C10 | C9 | C8 | C22 | 90.0° | 179.8° |
| C10 | C25 | C6 | H11 | 90.0° | 179.8° |
| C25 | C10 | C9 | H13 | 90.0° | 179.7° |
| C3 | C24 | N2 | N1 | 90.0° | 179.7° |
| C3 | C24 | N2 | C13 | 90.0° | 180.0° |
| C3 | C24 | N1 | C14 | 90.0° | 179.8° |
| C24 | C3 | C2 | H2 | 90.0° | 0.0° |
| C24 | C3 | C4 | H3 | 90.0° | 0.0° |
| C3 | C24 | N2 | H15 | 90.0° | 0.0° |
| C8 | C22 | N4 | N3 | 90.0° | 179.8° |
| C8 | C22 | N4 | C16 | 90.0° | 180.0° |
| C8 | C22 | N3 | C17 | 90.0° | 179.9° |
| C22 | C8 | C7 | H12 | 90.0° | 0.0° |
| C22 | C8 | C9 | H13 | 90.0° | 0.0° |
| C8 | C22 | N4 | H16 | 90.0° | 0.1° |
| C24 | N2 | C13 | H15 | 90.0° | 179.9° |
| C24 | N2 | C13 | C14 | 90.0° | 0.0° |
| N2 | C24 | N1 | C14 | 90.0° | 0.4° |
| C24 | N2 | C13 | C29 | 90.0° | 180.0° |
| N2 | C13 | C14 | C29 | 90.0° | 180.0° |
| N2 | C13 | C14 | N1 | 90.0° | 0.3° |
| C13 | N2 | C24 | N1 | 90.0° | 0.2° |
| N2 | C13 | C14 | C26 | 90.0° | 180.0° |
| N2 | C13 | C29 | C28 | 90.0° | 179.9° |
| N2 | C13 | C29 | H22 | 90.0° | 0.0° |
| C13 | C14 | N1 | C26 | 90.0° | 179.7° |
| C13 | C14 | N1 | C24 | 90.0° | 0.4° |
| C13 | C14 | C26 | C27 | 90.0° | 0.0° |
| C14 | C13 | C29 | C28 | 90.0° | 0.1° |
| C14 | C13 | N2 | H15 | 90.0° | 180.0° |
| C13 | C14 | C26 | H20 | 90.0° | 180.0° |
| C14 | C13 | C29 | H22 | 90.0° | 180.0° |
| N1 | C14 | C26 | C27 | 90.0° | 179.7° |
| N1 | C14 | C13 | C29 | 90.0° | 179.7° |
| N1 | C14 | C26 | H20 | 90.0° | 0.3° |
| C24 | N1 | C14 | C26 | 90.0° | 179.8° |
| N1 | C24 | N2 | H15 | 90.0° | 179.7° |
| C22 | N4 | C16 | H16 | 90.0° | 180.0° |
| C22 | N4 | C16 | C17 | 90.0° | 0.0° |
| N4 | C22 | N3 | C17 | 90.0° | 0.4° |
| C22 | N4 | C16 | C19 | 90.0° | 180.0° |
| N4 | C16 | C17 | C19 | 90.0° | 179.9° |
| N4 | C16 | C17 | N3 | 90.0° | 0.3° |
| C16 | N4 | C22 | N3 | 90.0° | 0.2° |
| N4 | C16 | C17 | C11 | 90.0° | 180.0° |
| N4 | C16 | C19 | C15 | 90.0° | 180.0° |
| N4 | C16 | C19 | H19 | 90.0° | 0.1° |
| C16 | C17 | N3 | C11 | 90.0° | 179.7° |
| C16 | C17 | N3 | C22 | 90.0° | 0.4° |
| C16 | C17 | C11 | C12 | 90.0° | 0.0° |
| C17 | C16 | C19 | C15 | 90.0° | 0.1° |
| C17 | C16 | N4 | H16 | 90.0° | 179.9° |
| C16 | C17 | C11 | H17 | 90.0° | 179.9° |
| C17 | C16 | C19 | H19 | 90.0° | 180.0° |
| N3 | C17 | C11 | C12 | 90.0° | 179.7° |
| N3 | C17 | C16 | C19 | 90.0° | 179.8° |
| N3 | C17 | C11 | H17 | 90.0° | 0.3° |
| C22 | N3 | C17 | C11 | 90.0° | 179.9° |
| N3 | C22 | N4 | H16 | 90.0° | 179.8° |
| C17 | C11 | C12 | H17 | 90.0° | 180.0° |
| C17 | C11 | C12 | C15 | 90.0° | 0.0° |
| C11 | C17 | C16 | C19 | 90.0° | 0.1° |
| C17 | C11 | C12 | C31 | 90.0° | 180.0° |
| C11 | C12 | C15 | C31 | 90.0° | 180.0° |
| C11 | C12 | C15 | C19 | 90.0° | 0.0° |
| C11 | C12 | C15 | H18 | 90.0° | 180.0° |
| C11 | C12 | C31 | O2 | 90.0° | 180.0° |
| C11 | C12 | C31 | O1 | 90.0° | 0.0° |
| C12 | C15 | C19 | H18 | 90.0° | 180.0° |
| C12 | C15 | C19 | C16 | 90.0° | 0.0° |
| C15 | C12 | C11 | H17 | 90.0° | 180.0° |
| C12 | C15 | C19 | H19 | 90.0° | 180.0° |
| C15 | C12 | C31 | O2 | 90.0° | 0.0° |
| C15 | C12 | C31 | O1 | 90.0° | 180.0° |
| C15 | C19 | C16 | H19 | 90.0° | 180.0° |
| C19 | C15 | C12 | C31 | 90.0° | 180.0° |
| C19 | C16 | N4 | H16 | 90.0° | 0.0° |
| C16 | C19 | C15 | H18 | 90.0° | 180.0° |
| C14 | C26 | C27 | H20 | 90.0° | 179.9° |
| C14 | C26 | C27 | C28 | 90.0° | 0.0° |
| C26 | C14 | C13 | C29 | 90.0° | 0.1° |
| C14 | C26 | C27 | H21 | 90.0° | 180.0° |
| C26 | C27 | C28 | H21 | 90.0° | 180.0° |
| C26 | C27 | C28 | C29 | 90.0° | 0.0° |
| C26 | C27 | C28 | C30 | 90.0° | 180.0° |
| C27 | C28 | C29 | C30 | 90.0° | 179.9° |
| C27 | C28 | C29 | C13 | 90.0° | 0.1° |
| C27 | C28 | C30 | O3 | 90.0° | 0.0° |
| C27 | C28 | C30 | O4 | 90.0° | 180.0° |
| C28 | C27 | C26 | H20 | 90.0° | 180.0° |
| C27 | C28 | C29 | H22 | 90.0° | 180.0° |
| C28 | C29 | C13 | H22 | 90.0° | 179.9° |
| C29 | C28 | C30 | O3 | 90.0° | 179.9° |
| C29 | C28 | C30 | O4 | 90.0° | 0.1° |
| C29 | C28 | C27 | H21 | 90.0° | 179.9° |
| C13 | C29 | C28 | C30 | 90.0° | 180.0° |
| C29 | C13 | N2 | H15 | 90.0° | 0.0° |
| C28 | C30 | O3 | O4 | 90.0° | 180.0° |
| C30 | C28 | C27 | H21 | 90.0° | 0.0° |
| C30 | C28 | C29 | H22 | 90.0° | 0.1° |
| C28 | C30 | O3 | H23 | 90.0° | 180.0° |
| O4 | C30 | O3 | H23 | 90.0° | 0.0° |
| H1 | C1 | C2 | H2 | 90.0° | 0.0° |
| H3 | C4 | C5 | H10 | 90.0° | 0.1° |
| H11 | C6 | C7 | H12 | 90.0° | 0.1° |
| H13 | C9 | C10 | H14 | 90.0° | 0.2° |
| H17 | C11 | C12 | C31 | 90.0° | 0.0° |
| H18 | C15 | C19 | H19 | 90.0° | 0.0° |
| H18 | C15 | C12 | C31 | 90.0° | 0.0° |
| H20 | C26 | C27 | H21 | 90.0° | 0.0° |
| C12 | C31 | O2 | O1 | 90.0° | 180.0° |
| C12 | C31 | O2 | H24 | 90.0° | 180.0° |
| O1 | C31 | O2 | H24 | 90.0° | 0.0° |
