7VE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | S1 | doub | 1.42Å | 1.43Å | |
| O6 | S1 | doub | 1.42Å | 1.44Å | |
| O1 | C18 | sing | 1.44Å | 1.44Å | |
| O1 | C16 | sing | 1.35Å | 1.37Å | |
| O3 | C1 | sing | 1.36Å | 1.39Å | |
| O3 | C20 | sing | 1.43Å | 1.45Å | |
| N3 | N4 | doub | 1.29Å | 1.32Å | Aromatic |
| N3 | N2 | sing | 1.29Å | 1.35Å | Aromatic |
| N4 | C23 | sing | 1.34Å | 1.36Å | Aromatic |
| S1 | C29 | sing | 1.76Å | 1.77Å | |
| S1 | N5 | sing | 1.66Å | 1.59Å | |
| C18 | O2 | sing | 1.44Å | 1.44Å | |
| C4 | C5 | doub | 1.36Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | O4 | sing | 1.43Å | 1.43Å | |
| O5 | C26 | sing | 1.36Å | 1.37Å | |
| O5 | C25 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | O4 | sing | 1.36Å | 1.38Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.42Å | 1.43Å | Aromatic |
| C17 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C25 | sing | 1.51Å | 1.48Å | |
| C23 | C24 | doub | 1.35Å | 1.36Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.43Å | Aromatic |
| N2 | C24 | sing | 1.35Å | 1.35Å | Aromatic |
| N2 | C22 | sing | 1.46Å | 1.46Å | |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| O2 | C15 | sing | 1.35Å | 1.38Å | |
| C15 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C8 | C13 | sing | 1.49Å | 1.47Å | |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C10 | sing | 1.47Å | 1.49Å | |
| C10 | C11 | sing | 1.52Å | 1.51Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| C8 | N1 | sing | 1.34Å | 1.41Å | Aromatic |
| C18 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | S1 | O6 | 119.4° | 123.1° |
| O7 | S1 | C29 | 107.3° | 106.4° |
| O7 | S1 | N5 | 105.1° | 106.4° |
| O6 | S1 | C29 | 107.2° | 106.4° |
| O6 | S1 | N5 | 106.9° | 106.4° |
| C18 | O1 | C16 | 105.3° | 105.5° |
| O1 | C18 | O2 | 108.8° | 104.1° |
| O1 | C18 | H11 | 109.6° | 110.5° |
| O1 | C18 | H30 | 109.7° | 110.5° |
| O1 | C16 | C17 | 128.3° | 130.0° |
| O1 | C16 | C15 | 110.2° | 108.8° |
| C1 | O3 | C20 | 126.6° | 117.0° |
| O3 | C1 | C6 | 120.1° | 120.3° |
| O3 | C1 | C2 | 119.6° | 120.4° |
| O3 | C20 | C21 | 106.9° | 109.4° |
| O3 | C20 | H15 | 110.1° | 109.5° |
| O3 | C20 | H16 | 110.1° | 109.5° |
| N4 | N3 | N2 | 106.8° | 110.2° |
| N3 | N4 | C23 | 109.1° | 108.9° |
| N3 | N2 | C24 | 110.7° | 108.3° |
| N3 | N2 | C22 | 120.7° | 125.8° |
| N4 | C23 | C25 | 122.7° | 126.8° |
| N4 | C23 | C24 | 108.2° | 106.5° |
| C29 | S1 | N5 | 110.9° | 107.2° |
| S1 | C29 | C30 | 118.7° | 119.9° |
| S1 | C29 | C28 | 120.4° | 120.0° |
| S1 | N5 | H28 | 109.5° | 120.0° |
| S1 | N5 | H29 | 109.5° | 120.0° |
| C18 | O2 | C15 | 105.0° | 105.5° |
| O2 | C18 | H11 | 109.6° | 110.5° |
| O2 | C18 | H30 | 109.6° | 110.5° |
| C5 | C4 | C3 | 120.4° | 119.8° |
| C4 | C5 | C6 | 121.5° | 121.0° |
| C5 | C4 | H1 | 119.8° | 120.1° |
| C4 | C5 | H2 | 119.3° | 119.5° |
| C4 | C3 | C9 | 122.3° | 122.2° |
| C4 | C3 | C2 | 118.6° | 119.8° |
| C3 | C4 | H1 | 119.8° | 120.1° |
| C5 | C6 | C1 | 119.8° | 120.8° |
| C5 | C6 | O4 | 122.9° | 119.6° |
| C6 | C5 | H2 | 119.2° | 119.5° |
| C19 | O4 | C6 | 119.5° | 117.0° |
| O4 | C19 | H12 | 109.5° | 109.4° |
| O4 | C19 | H13 | 109.5° | 109.5° |
| O4 | C19 | H14 | 109.5° | 109.5° |
| C26 | O5 | C25 | 109.5° | 117.0° |
| O5 | C26 | C31 | 105.3° | 120.1° |
| O5 | C26 | C27 | 134.1° | 120.1° |
| O5 | C25 | C23 | 119.0° | 109.5° |
| O5 | C25 | H22 | 107.0° | 109.5° |
| O5 | C25 | H23 | 107.1° | 109.5° |
| C17 | C16 | C15 | 121.4° | 121.2° |
| C16 | C17 | C13 | 117.9° | 117.1° |
| C16 | C17 | H10 | 121.0° | 121.5° |
| C16 | C15 | O2 | 110.5° | 108.7° |
| C16 | C15 | C14 | 121.2° | 121.4° |
| C31 | C30 | C29 | 119.3° | 120.1° |
| C30 | C31 | C26 | 120.1° | 120.0° |
| C31 | C30 | H26 | 120.4° | 120.0° |
| C30 | C31 | H27 | 119.9° | 120.1° |
| C30 | C29 | C28 | 120.8° | 120.1° |
| C29 | C30 | H26 | 120.3° | 120.0° |
| C31 | C26 | C27 | 120.5° | 119.8° |
| C26 | C31 | H27 | 119.9° | 120.0° |
| C1 | C6 | O4 | 116.9° | 119.6° |
| C6 | C1 | C2 | 119.4° | 119.3° |
| C29 | C28 | C27 | 119.7° | 120.1° |
| C29 | C28 | H25 | 120.1° | 120.0° |
| C9 | C3 | C2 | 118.9° | 118.1° |
| C3 | C9 | C8 | 121.6° | 118.9° |
| C3 | C9 | H4 | 119.2° | 120.6° |
| C3 | C2 | C1 | 119.9° | 119.3° |
| C3 | C2 | C7 | 118.0° | 118.8° |
| C17 | C13 | C8 | 119.9° | 119.7° |
| C17 | C13 | C12 | 120.0° | 121.5° |
| C13 | C17 | H10 | 121.0° | 121.4° |
| C25 | C23 | C24 | 129.1° | 126.7° |
| C23 | C25 | H22 | 107.0° | 109.5° |
| C23 | C25 | H23 | 107.0° | 109.4° |
| C23 | C24 | N2 | 105.2° | 106.2° |
| C23 | C24 | H21 | 127.4° | 127.0° |
| C26 | C27 | C28 | 119.6° | 120.0° |
| C26 | C27 | H24 | 120.2° | 120.0° |
| C1 | C2 | C7 | 122.0° | 121.9° |
| C24 | N2 | C22 | 128.4° | 125.9° |
| N2 | C24 | H21 | 127.4° | 126.9° |
| N2 | C22 | C21 | 117.6° | 109.5° |
| N2 | C22 | H19 | 107.4° | 109.5° |
| N2 | C22 | H20 | 107.4° | 109.5° |
| C28 | C27 | H24 | 120.2° | 120.1° |
| C27 | C28 | H25 | 120.1° | 120.0° |
| C9 | C8 | C13 | 123.7° | 118.7° |
| C8 | C9 | H4 | 119.2° | 120.6° |
| C9 | C8 | N1 | 117.5° | 121.6° |
| C2 | C7 | N1 | 121.4° | 120.9° |
| C2 | C7 | H3 | 119.3° | 119.6° |
| O2 | C15 | C14 | 128.2° | 129.9° |
| C15 | C14 | C12 | 118.5° | 117.4° |
| C15 | C14 | H9 | 120.8° | 121.3° |
| C20 | C21 | C22 | 118.8° | 109.5° |
| C21 | C20 | H15 | 110.1° | 109.5° |
| C21 | C20 | H16 | 110.1° | 109.5° |
| C20 | C21 | H17 | 107.1° | 109.5° |
| C20 | C21 | H18 | 107.1° | 109.4° |
| C22 | C21 | H17 | 107.1° | 109.5° |
| C22 | C21 | H18 | 107.1° | 109.5° |
| C21 | C22 | H19 | 107.4° | 109.5° |
| C21 | C22 | H20 | 107.4° | 109.4° |
| C8 | C13 | C12 | 120.0° | 118.8° |
| C13 | C8 | N1 | 118.7° | 119.7° |
| C13 | C12 | C14 | 120.7° | 121.5° |
| C13 | C12 | C11 | 117.8° | 118.8° |
| C14 | C12 | C11 | 120.4° | 119.7° |
| C12 | C14 | H9 | 120.7° | 121.3° |
| C7 | N1 | C10 | 116.8° | 117.9° |
| N1 | C7 | H3 | 119.3° | 119.5° |
| C7 | N1 | C8 | 122.4° | 121.7° |
| N1 | C10 | C11 | 111.4° | 111.1° |
| N1 | C10 | H5 | 109.0° | 109.1° |
| N1 | C10 | H6 | 109.0° | 109.1° |
| C10 | N1 | C8 | 120.0° | 120.4° |
| C10 | C11 | C12 | 109.7° | 109.8° |
| C11 | C10 | H5 | 109.0° | 109.2° |
| C11 | C10 | H6 | 109.0° | 109.1° |
| C10 | C11 | H7 | 109.4° | 109.4° |
| C10 | C11 | H8 | 109.4° | 109.4° |
| C12 | C11 | H7 | 109.4° | 109.4° |
| C12 | C11 | H8 | 109.4° | 109.4° |
| H5 | C10 | H6 | 109.4° | 109.1° |
| H7 | C11 | H8 | 109.5° | 109.4° |
| H11 | C18 | H30 | 109.5° | 110.6° |
| H12 | C19 | H13 | 109.5° | 109.4° |
| H12 | C19 | H14 | 109.5° | 109.4° |
| H13 | C19 | H14 | 109.4° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.4° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H28 | N5 | H29 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | S1 | O6 | C29 | 122.1° | 123.0° |
| O7 | S1 | O6 | N5 | 118.9° | 122.9° |
| O7 | S1 | C29 | N5 | 114.3° | 113.5° |
| O7 | S1 | C29 | C30 | 131.2° | 156.5° |
| O7 | S1 | C29 | C28 | 45.2° | 23.5° |
| O7 | S1 | N5 | H28 | 180.0° | 113.5° |
| O7 | S1 | N5 | H29 | 60.0° | 66.5° |
| O6 | S1 | C29 | N5 | 116.4° | 113.6° |
| O6 | S1 | C29 | C30 | 1.8° | 23.5° |
| O6 | S1 | C29 | C28 | 174.6° | 156.5° |
| O6 | S1 | N5 | H28 | 52.2° | 113.6° |
| O6 | S1 | N5 | H29 | 67.9° | 66.4° |
| O1 | C18 | O2 | H11 | 119.9° | 118.6° |
| O1 | C18 | O2 | H30 | 119.9° | 118.7° |
| C18 | O1 | C16 | C17 | 176.4° | 163.8° |
| C18 | O1 | C16 | C15 | 2.5° | 16.4° |
| O1 | C18 | O2 | C15 | 1.2° | 26.0° |
| O1 | C18 | H11 | H30 | 120.3° | 122.7° |
| C16 | O1 | C18 | O2 | 0.8° | 25.9° |
| O1 | C16 | C17 | C15 | 178.8° | 179.9° |
| O1 | C16 | C17 | C13 | 177.7° | 179.9° |
| O1 | C16 | C15 | O2 | 3.4° | 0.2° |
| O1 | C16 | C15 | C14 | 179.7° | 179.7° |
| O1 | C16 | C17 | H10 | 2.3° | 0.0° |
| C16 | O1 | C18 | H11 | 119.1° | 92.7° |
| C16 | O1 | C18 | H30 | 120.7° | 144.6° |
| O3 | C1 | C6 | C5 | 164.5° | 179.8° |
| O3 | C1 | C6 | C2 | 169.3° | 179.9° |
| O3 | C1 | C6 | O4 | 22.4° | 0.2° |
| O3 | C1 | C2 | C3 | 162.9° | 179.1° |
| O3 | C1 | C2 | C7 | 21.1° | 1.3° |
| C1 | O3 | C20 | C21 | 145.8° | 180.0° |
| C1 | O3 | C20 | H15 | 26.2° | 60.1° |
| C1 | O3 | C20 | H16 | 94.7° | 60.0° |
| C20 | O3 | C1 | C6 | 159.5° | 90.0° |
| C20 | O3 | C1 | C2 | 31.3° | 90.0° |
| O3 | C20 | C21 | H15 | 119.6° | 119.9° |
| O3 | C20 | C21 | H16 | 119.6° | 120.0° |
| O3 | C20 | C21 | C22 | 148.8° | 180.0° |
| O3 | C20 | H15 | H16 | 121.2° | 120.1° |
| O3 | C20 | C21 | H17 | 27.5° | 60.0° |
| O3 | C20 | C21 | H18 | 89.9° | 60.0° |
| N3 | N4 | C23 | C25 | 178.7° | 180.0° |
| N3 | N4 | C23 | C24 | 0.6° | 0.0° |
| N4 | N3 | N2 | C24 | 1.6° | 0.0° |
| N4 | N3 | N2 | C22 | 173.1° | 179.8° |
| N2 | N3 | N4 | C23 | 1.3° | 0.0° |
| N3 | N2 | C24 | C23 | 1.2° | 0.0° |
| N3 | N2 | C24 | C22 | 174.2° | 179.8° |
| N3 | N2 | C22 | C21 | 179.9° | 54.7° |
| N3 | N2 | C22 | H19 | 58.7° | 174.7° |
| N3 | N2 | C22 | H20 | 59.0° | 65.3° |
| N3 | N2 | C24 | H21 | 178.8° | 179.7° |
| N4 | C23 | C25 | O5 | 3.5° | 180.0° |
| N4 | C23 | C25 | C24 | 179.1° | 179.9° |
| N4 | C23 | C24 | N2 | 0.4° | 0.0° |
| N4 | C23 | C24 | H21 | 179.6° | 179.7° |
| N4 | C23 | C25 | H22 | 117.8° | 59.9° |
| N4 | C23 | C25 | H23 | 124.9° | 60.1° |
| S1 | C29 | C30 | C31 | 175.2° | 179.7° |
| S1 | C29 | C30 | C28 | 176.4° | 180.0° |
| S1 | C29 | C28 | C27 | 175.5° | 180.0° |
| S1 | C29 | C28 | H25 | 4.5° | 0.0° |
| S1 | C29 | C30 | H26 | 4.8° | 0.3° |
| C29 | S1 | N5 | H28 | 64.4° | 0.0° |
| C29 | S1 | N5 | H29 | 175.6° | 180.0° |
| N5 | S1 | C29 | C30 | 114.5° | 90.0° |
| N5 | S1 | C29 | C28 | 69.1° | 90.0° |
| S1 | N5 | H28 | H29 | 120.0° | 180.0° |
| C18 | O2 | C15 | C16 | 2.7° | 16.7° |
| C18 | O2 | C15 | C14 | 178.7° | 163.2° |
| O2 | C18 | H11 | H30 | 120.3° | 122.7° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 1.1° | 0.2° |
| C4 | C5 | C6 | O4 | 171.5° | 179.8° |
| C5 | C4 | C3 | C9 | 176.1° | 179.0° |
| C5 | C4 | C3 | C2 | 0.7° | 0.8° |
| C3 | C4 | C5 | C6 | 1.0° | 0.1° |
| C4 | C3 | C9 | C2 | 175.4° | 179.8° |
| C4 | C3 | C2 | C1 | 4.4° | 1.1° |
| C4 | C3 | C9 | C8 | 174.1° | 179.5° |
| C4 | C3 | C2 | C7 | 171.8° | 178.5° |
| C3 | C4 | C5 | H2 | 179.0° | 179.9° |
| C4 | C3 | C9 | H4 | 5.9° | 0.5° |
| C5 | C6 | O4 | C19 | 165.3° | 0.0° |
| C5 | C6 | C1 | O4 | 173.0° | 180.0° |
| C5 | C6 | C1 | C2 | 4.7° | 0.1° |
| C6 | C5 | C4 | H1 | 179.0° | 179.7° |
| C19 | O4 | C6 | C1 | 21.9° | 180.0° |
| O4 | C19 | H12 | H13 | 120.0° | 120.0° |
| O4 | C19 | H12 | H14 | 120.0° | 120.0° |
| O4 | C19 | H13 | H14 | 120.0° | 120.1° |
| O5 | C26 | C31 | C30 | 176.9° | 179.7° |
| O5 | C26 | C31 | C27 | 176.9° | 179.7° |
| C26 | O5 | C25 | C23 | 178.7° | 180.0° |
| O5 | C26 | C27 | C28 | 175.5° | 180.0° |
| C26 | O5 | C25 | H22 | 60.0° | 60.0° |
| C26 | O5 | C25 | H23 | 57.4° | 60.0° |
| O5 | C26 | C27 | H24 | 4.5° | 0.0° |
| O5 | C26 | C31 | H27 | 3.1° | 0.3° |
| C25 | O5 | C26 | C31 | 8.6° | 0.3° |
| O5 | C25 | C23 | H22 | 121.3° | 120.0° |
| O5 | C25 | C23 | H23 | 121.4° | 120.0° |
| O5 | C25 | C23 | C24 | 177.4° | 0.0° |
| C25 | O5 | C26 | C27 | 175.2° | 180.0° |
| O5 | C25 | H22 | H23 | 115.7° | 120.0° |
| C16 | C17 | C13 | H10 | 180.0° | 180.0° |
| C17 | C16 | C15 | O2 | 175.6° | 179.7° |
| C17 | C16 | C15 | C14 | 0.8° | 0.4° |
| C16 | C17 | C13 | C8 | 176.4° | 179.3° |
| C16 | C17 | C13 | C12 | 0.4° | 0.5° |
| C15 | C16 | C17 | C13 | 1.1° | 0.1° |
| C16 | C15 | O2 | C14 | 176.0° | 179.9° |
| C16 | C15 | C14 | C12 | 4.0° | 0.1° |
| C16 | C15 | C14 | H9 | 176.0° | 179.8° |
| C15 | C16 | C17 | H10 | 178.9° | 179.9° |
| C31 | C30 | C29 | H26 | 180.0° | 179.4° |
| C30 | C31 | C26 | H27 | 180.0° | 179.4° |
| C31 | C30 | C29 | C28 | 1.2° | 0.3° |
| C30 | C31 | C26 | C27 | 0.0° | 0.6° |
| C29 | C30 | C31 | C26 | 0.7° | 0.6° |
| C30 | C29 | C28 | C27 | 0.9° | 0.0° |
| C30 | C29 | C28 | H25 | 179.2° | 180.0° |
| C29 | C30 | C31 | H27 | 179.3° | 180.0° |
| C31 | C26 | C27 | C28 | 0.3° | 0.3° |
| C31 | C26 | C27 | H24 | 179.7° | 179.7° |
| C26 | C31 | C30 | H26 | 179.3° | 180.0° |
| C6 | C1 | C2 | C3 | 6.4° | 0.8° |
| C6 | C1 | C2 | C7 | 169.6° | 178.8° |
| C1 | C6 | C5 | H2 | 178.9° | 179.7° |
| O4 | C6 | C1 | C2 | 168.3° | 179.9° |
| O4 | C6 | C5 | H2 | 8.5° | 0.3° |
| C6 | O4 | C19 | H12 | 180.0° | 60.0° |
| C6 | O4 | C19 | H13 | 60.0° | 59.9° |
| C6 | O4 | C19 | H14 | 60.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C29 | C28 | C27 | H25 | 180.0° | 180.0° |
| C29 | C28 | C27 | H24 | 179.9° | 180.0° |
| C28 | C29 | C30 | H26 | 178.8° | 179.7° |
| C9 | C3 | C2 | C1 | 179.9° | 178.6° |
| C3 | C9 | C8 | H4 | 180.0° | 180.0° |
| C9 | C3 | C2 | C7 | 3.8° | 1.8° |
| C3 | C9 | C8 | C13 | 175.8° | 178.2° |
| C9 | C3 | C4 | H1 | 4.0° | 1.2° |
| C3 | C9 | C8 | N1 | 1.1° | 1.3° |
| C3 | C2 | C1 | C7 | 176.0° | 179.6° |
| C2 | C3 | C9 | C8 | 1.3° | 0.7° |
| C3 | C2 | C7 | N1 | 4.0° | 0.8° |
| C2 | C3 | C4 | H1 | 179.3° | 179.0° |
| C3 | C2 | C7 | H3 | 176.0° | 179.2° |
| C2 | C3 | C9 | H4 | 178.7° | 179.2° |
| C17 | C13 | C8 | C9 | 2.3° | 17.3° |
| C17 | C13 | C8 | C12 | 176.8° | 179.8° |
| C17 | C13 | C12 | C14 | 3.7° | 0.8° |
| C17 | C13 | C12 | C11 | 164.4° | 179.2° |
| C17 | C13 | C8 | N1 | 174.6° | 163.1° |
| C25 | C23 | C24 | N2 | 179.6° | 180.0° |
| C25 | C23 | C24 | H21 | 0.4° | 0.3° |
| C23 | C25 | H22 | H23 | 115.7° | 120.0° |
| C23 | C24 | N2 | H21 | 180.0° | 179.7° |
| C23 | C24 | N2 | C22 | 173.0° | 179.8° |
| C24 | C23 | C25 | H22 | 61.3° | 120.0° |
| C24 | C23 | C25 | H23 | 56.0° | 120.0° |
| C26 | C27 | C28 | H24 | 180.0° | 180.0° |
| C26 | C27 | C28 | H25 | 179.9° | 180.0° |
| C27 | C26 | C31 | H27 | 180.0° | 180.0° |
| C1 | C2 | C7 | N1 | 180.0° | 179.6° |
| C1 | C2 | C7 | H3 | 0.0° | 0.4° |
| C24 | N2 | C22 | C21 | 6.1° | 125.1° |
| C24 | N2 | C22 | H19 | 115.0° | 5.0° |
| C24 | N2 | C22 | H20 | 127.3° | 115.0° |
| N2 | C22 | C21 | C20 | 15.1° | 180.0° |
| N2 | C22 | C21 | H19 | 121.2° | 120.0° |
| N2 | C22 | C21 | H20 | 121.2° | 120.0° |
| N2 | C22 | C21 | H17 | 136.4° | 60.0° |
| N2 | C22 | C21 | H18 | 106.3° | 60.0° |
| N2 | C22 | H19 | H20 | 116.3° | 120.1° |
| C22 | N2 | C24 | H21 | 7.0° | 0.1° |
| C9 | C8 | C13 | N1 | 176.8° | 179.5° |
| C9 | C8 | C13 | C12 | 179.1° | 162.9° |
| C9 | C8 | N1 | C7 | 1.0° | 2.4° |
| C9 | C8 | N1 | C10 | 170.0° | 176.8° |
| C2 | C7 | N1 | H3 | 180.0° | 180.0° |
| C2 | C7 | N1 | C10 | 167.7° | 177.9° |
| C2 | C7 | N1 | C8 | 1.6° | 1.3° |
| O2 | C15 | C14 | C12 | 171.6° | 180.0° |
| O2 | C15 | C14 | H9 | 8.4° | 0.1° |
| C15 | O2 | C18 | H11 | 121.1° | 92.6° |
| C15 | O2 | C18 | H30 | 118.8° | 144.7° |
| C15 | C14 | C12 | C13 | 5.5° | 0.4° |
| C15 | C14 | C12 | H9 | 180.0° | 180.0° |
| C15 | C14 | C12 | C11 | 162.4° | 179.5° |
| C20 | C21 | C22 | H17 | 121.3° | 120.0° |
| C20 | C21 | C22 | H18 | 121.3° | 119.9° |
| C21 | C20 | H15 | H16 | 121.2° | 120.0° |
| C20 | C21 | H17 | H18 | 115.8° | 120.0° |
| C20 | C21 | C22 | H19 | 136.2° | 59.9° |
| C20 | C21 | C22 | H20 | 106.1° | 60.0° |
| C22 | C21 | C20 | H15 | 91.6° | 60.0° |
| C22 | C21 | C20 | H16 | 29.2° | 60.0° |
| C22 | C21 | H17 | H18 | 115.8° | 120.0° |
| C21 | C22 | H19 | H20 | 116.3° | 119.9° |
| C8 | C13 | C12 | C14 | 173.1° | 179.1° |
| C13 | C8 | N1 | C7 | 176.1° | 177.1° |
| C13 | C8 | N1 | C10 | 7.1° | 3.7° |
| C8 | C13 | C12 | C11 | 18.7° | 1.0° |
| C13 | C8 | C9 | H4 | 4.2° | 1.8° |
| C8 | C13 | C17 | H10 | 3.6° | 0.6° |
| C13 | C12 | C14 | C11 | 167.8° | 179.9° |
| C13 | C12 | C11 | C10 | 46.5° | 34.8° |
| C13 | C12 | C11 | H7 | 166.6° | 154.9° |
| C13 | C12 | C11 | H8 | 73.5° | 85.3° |
| C13 | C12 | C14 | H9 | 174.5° | 179.6° |
| C12 | C13 | C17 | H10 | 179.6° | 179.6° |
| C12 | C13 | C8 | N1 | 2.3° | 16.7° |
| C14 | C12 | C11 | C10 | 145.3° | 145.3° |
| C14 | C12 | C11 | H7 | 25.2° | 25.2° |
| C14 | C12 | C11 | H8 | 94.7° | 94.6° |
| C7 | N1 | C10 | C8 | 169.6° | 179.2° |
| C7 | N1 | C10 | C11 | 154.8° | 142.1° |
| C7 | N1 | C10 | H5 | 84.9° | 97.4° |
| C7 | N1 | C10 | H6 | 34.5° | 21.7° |
| N1 | C10 | C11 | H5 | 120.3° | 120.4° |
| N1 | C10 | C11 | H6 | 120.3° | 120.4° |
| N1 | C10 | C11 | C12 | 53.1° | 52.2° |
| C10 | N1 | C7 | H3 | 12.3° | 2.1° |
| N1 | C10 | H5 | H6 | 119.1° | 119.2° |
| N1 | C10 | C11 | H7 | 173.1° | 172.3° |
| N1 | C10 | C11 | H8 | 67.0° | 67.9° |
| C10 | C11 | C12 | H7 | 120.0° | 120.1° |
| C10 | C11 | C12 | H8 | 120.0° | 120.1° |
| C11 | C10 | H5 | H6 | 119.1° | 119.2° |
| C10 | C11 | H7 | H8 | 119.9° | 119.9° |
| C11 | C10 | N1 | C8 | 35.6° | 38.7° |
| C12 | C11 | C10 | H5 | 67.2° | 68.2° |
| C12 | C11 | C10 | H6 | 173.4° | 172.6° |
| C12 | C11 | H7 | H8 | 119.9° | 119.8° |
| C11 | C12 | C14 | H9 | 17.6° | 0.5° |
| H1 | C4 | C5 | H2 | 1.0° | 0.3° |
| H3 | C7 | N1 | C8 | 178.4° | 178.7° |
| H4 | C9 | C8 | N1 | 178.9° | 178.7° |
| H5 | C10 | C11 | H7 | 52.8° | 51.8° |
| H5 | C10 | C11 | H8 | 172.8° | 171.7° |
| H5 | C10 | N1 | C8 | 84.7° | 81.7° |
| H6 | C10 | C11 | H7 | 66.6° | 67.3° |
| H6 | C10 | C11 | H8 | 53.4° | 52.5° |
| H6 | C10 | N1 | C8 | 155.9° | 159.1° |
| H12 | C19 | H13 | H14 | 120.0° | 119.9° |
| H15 | C20 | C21 | H17 | 147.1° | 180.0° |
| H15 | C20 | C21 | H18 | 29.7° | 59.9° |
| H16 | C20 | C21 | H17 | 92.1° | 60.0° |
| H16 | C20 | C21 | H18 | 150.5° | 180.0° |
| H17 | C21 | C22 | H19 | 102.5° | 179.9° |
| H17 | C21 | C22 | H20 | 15.2° | 60.0° |
| H18 | C21 | C22 | H19 | 14.9° | 60.0° |
| H18 | C21 | C22 | H20 | 132.6° | 179.9° |
| H24 | C27 | C28 | H25 | 0.1° | 0.1° |
| H26 | C30 | C31 | H27 | 0.7° | 0.6° |
