9R3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C29 | doub | 1.22Å | 1.26Å | |
| C26 | C25 | doub | 1.36Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C29 | O4 | sing | 1.35Å | 1.23Å | |
| C29 | C27 | sing | 1.47Å | 1.50Å | |
| C25 | C23 | sing | 1.41Å | 1.37Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | N3 | sing | 1.34Å | 1.36Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | C21 | doub | 1.29Å | 1.36Å | Aromatic |
| C24 | S1 | sing | 1.76Å | 1.67Å | Aromatic |
| C21 | S1 | sing | 1.76Å | 1.69Å | Aromatic |
| C21 | N2 | sing | 1.38Å | 1.35Å | |
| C19 | C22 | sing | 1.53Å | 1.51Å | |
| C19 | C14 | sing | 1.53Å | 1.55Å | |
| C16 | N2 | sing | 1.47Å | 1.46Å | |
| C16 | C14 | sing | 1.53Å | 1.51Å | |
| N2 | C18 | sing | 1.47Å | 1.47Å | |
| C22 | C20 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C17 | sing | 1.53Å | 1.52Å | |
| CL1 | C13 | sing | 1.74Å | 1.79Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C13 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.36Å | Aromatic |
| C17 | C15 | sing | 1.53Å | 1.50Å | |
| C15 | O2 | sing | 1.43Å | 1.42Å | |
| C5 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C3 | sing | 1.48Å | 1.50Å | |
| O2 | C6 | sing | 1.43Å | 1.41Å | |
| C9 | CL2 | sing | 1.74Å | 1.77Å | |
| C6 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.42Å | 1.48Å | Aromatic |
| C3 | N1 | doub | 1.31Å | 1.35Å | Aromatic |
| C2 | C1 | doub | 1.35Å | 1.45Å | Aromatic |
| N1 | O1 | sing | 1.21Å | 1.33Å | Aromatic |
| C1 | O1 | sing | 1.34Å | 1.33Å | Aromatic |
| C1 | C4 | sing | 1.51Å | 1.48Å | |
| C4 | C8 | sing | 1.53Å | 1.53Å | |
| C4 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| C26 | H2 | sing | 1.08Å | 1.08Å | |
| C25 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.08Å | 1.08Å | |
| C11 | H26 | sing | 1.08Å | 1.08Å | |
| C10 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C29 | O4 | 120.3° | 120.0° |
| O3 | C29 | C27 | 120.9° | 120.0° |
| C25 | C26 | C27 | 121.3° | 120.5° |
| C26 | C25 | C23 | 120.1° | 120.8° |
| C25 | C26 | H2 | 119.3° | 119.8° |
| C26 | C25 | H3 | 120.0° | 119.6° |
| C26 | C27 | C29 | 118.5° | 120.1° |
| C26 | C27 | C28 | 119.2° | 119.7° |
| C27 | C26 | H2 | 119.4° | 119.7° |
| O4 | C29 | C27 | 118.9° | 120.1° |
| C29 | O4 | H1 | 109.5° | 117.0° |
| C29 | C27 | C28 | 122.3° | 120.2° |
| C25 | C23 | N3 | 129.3° | 128.6° |
| C25 | C23 | C24 | 119.0° | 118.6° |
| C23 | C25 | H3 | 120.0° | 119.6° |
| C27 | C28 | C24 | 118.3° | 119.9° |
| C27 | C28 | H4 | 120.8° | 120.0° |
| N3 | C23 | C24 | 111.6° | 112.8° |
| C23 | N3 | C21 | 111.2° | 118.0° |
| C23 | C24 | C28 | 122.1° | 120.5° |
| C23 | C24 | S1 | 113.3° | 108.5° |
| C28 | C24 | S1 | 124.7° | 131.1° |
| C24 | C28 | H4 | 120.8° | 120.0° |
| N3 | C21 | S1 | 114.6° | 110.3° |
| N3 | C21 | N2 | 124.0° | 124.8° |
| C24 | S1 | C21 | 89.3° | 90.4° |
| S1 | C21 | N2 | 121.3° | 124.9° |
| C21 | N2 | C16 | 116.7° | 111.0° |
| C21 | N2 | C18 | 117.1° | 111.1° |
| C22 | C19 | C14 | 110.3° | 109.5° |
| C19 | C22 | C20 | 111.9° | 109.6° |
| C19 | C22 | H12 | 108.9° | 109.5° |
| C19 | C22 | H13 | 108.9° | 109.5° |
| C22 | C19 | H14 | 109.3° | 109.5° |
| C22 | C19 | H15 | 109.3° | 109.4° |
| C19 | C14 | C16 | 109.6° | 109.3° |
| C19 | C14 | C15 | 115.2° | 109.1° |
| C14 | C19 | H14 | 109.3° | 109.5° |
| C14 | C19 | H15 | 109.3° | 109.5° |
| C19 | C14 | H16 | 106.6° | 109.6° |
| N2 | C16 | C14 | 113.0° | 109.5° |
| C16 | N2 | C18 | 125.8° | 111.2° |
| N2 | C16 | H5 | 108.6° | 109.5° |
| N2 | C16 | H6 | 108.6° | 109.5° |
| C16 | C14 | C15 | 111.0° | 109.1° |
| C14 | C16 | H5 | 108.6° | 109.4° |
| C14 | C16 | H6 | 108.6° | 109.5° |
| C16 | C14 | H16 | 107.0° | 109.7° |
| N2 | C18 | C17 | 108.6° | 109.6° |
| N2 | C18 | H7 | 109.7° | 109.5° |
| N2 | C18 | H8 | 109.7° | 109.4° |
| C22 | C20 | C17 | 113.4° | 109.4° |
| C22 | C20 | H10 | 108.5° | 109.5° |
| C22 | C20 | H11 | 108.5° | 109.5° |
| C20 | C22 | H12 | 108.9° | 109.4° |
| C20 | C22 | H13 | 108.8° | 109.4° |
| C11 | C12 | C13 | 118.3° | 120.1° |
| C12 | C11 | C10 | 121.8° | 120.3° |
| C11 | C12 | H25 | 120.8° | 120.0° |
| C12 | C11 | H26 | 119.1° | 119.9° |
| C12 | C13 | CL1 | 121.7° | 120.1° |
| C12 | C13 | C5 | 120.2° | 119.8° |
| C13 | C12 | H25 | 120.9° | 119.9° |
| C14 | C15 | C17 | 105.8° | 108.9° |
| C14 | C15 | O2 | 116.1° | 109.6° |
| C15 | C14 | H16 | 106.9° | 110.0° |
| C14 | C15 | H17 | 108.6° | 109.6° |
| C11 | C10 | C9 | 118.8° | 120.1° |
| C10 | C11 | H26 | 119.1° | 119.9° |
| C11 | C10 | H27 | 120.6° | 119.9° |
| C20 | C17 | C18 | 107.8° | 109.3° |
| C20 | C17 | C15 | 114.6° | 109.1° |
| C20 | C17 | H9 | 108.7° | 110.0° |
| C17 | C20 | H10 | 108.5° | 109.5° |
| C17 | C20 | H11 | 108.5° | 109.5° |
| CL1 | C13 | C5 | 118.0° | 120.1° |
| C18 | C17 | C15 | 108.1° | 109.1° |
| C17 | C18 | H7 | 109.7° | 109.5° |
| C17 | C18 | H8 | 109.7° | 109.4° |
| C18 | C17 | H9 | 108.7° | 109.7° |
| C13 | C5 | C9 | 120.4° | 119.7° |
| C13 | C5 | C3 | 119.9° | 120.1° |
| C10 | C9 | C5 | 120.4° | 119.9° |
| C10 | C9 | CL2 | 119.5° | 120.1° |
| C9 | C10 | H27 | 120.6° | 119.9° |
| C17 | C15 | O2 | 107.0° | 109.6° |
| C15 | C17 | H9 | 108.9° | 109.6° |
| C17 | C15 | H17 | 109.0° | 109.5° |
| C15 | O2 | C6 | 114.2° | 114.0° |
| O2 | C15 | H17 | 110.1° | 109.7° |
| C9 | C5 | C3 | 119.7° | 120.1° |
| C5 | C9 | CL2 | 120.1° | 120.1° |
| C5 | C3 | C2 | 123.5° | 126.9° |
| C5 | C3 | N1 | 128.7° | 127.0° |
| O2 | C6 | C2 | 107.7° | 109.5° |
| O2 | C6 | H18 | 109.9° | 109.5° |
| O2 | C6 | H19 | 109.9° | 109.5° |
| C6 | C2 | C3 | 128.5° | 128.0° |
| C6 | C2 | C1 | 127.8° | 128.0° |
| C2 | C6 | H18 | 109.9° | 109.5° |
| C2 | C6 | H19 | 109.9° | 109.5° |
| C2 | C3 | N1 | 107.9° | 106.1° |
| C3 | C2 | C1 | 103.7° | 103.9° |
| C3 | N1 | O1 | 108.1° | 111.4° |
| C2 | C1 | O1 | 105.7° | 106.7° |
| C2 | C1 | C4 | 135.3° | 126.6° |
| N1 | O1 | C1 | 114.7° | 111.9° |
| O1 | C1 | C4 | 119.1° | 126.7° |
| C1 | C4 | C8 | 112.0° | 117.5° |
| C1 | C4 | C7 | 117.9° | 117.5° |
| C1 | C4 | H20 | 118.4° | 115.6° |
| C8 | C4 | C7 | 59.9° | 60.0° |
| C4 | C8 | C7 | 59.9° | 60.0° |
| C8 | C4 | H20 | 117.4° | 117.5° |
| C4 | C8 | H21 | 120.0° | 117.5° |
| C4 | C8 | H22 | 120.0° | 117.5° |
| C4 | C7 | C8 | 60.3° | 60.0° |
| C7 | C4 | H20 | 117.6° | 117.5° |
| C4 | C7 | H23 | 120.0° | 117.4° |
| C4 | C7 | H24 | 120.0° | 117.5° |
| C7 | C8 | H21 | 120.0° | 117.5° |
| C7 | C8 | H22 | 120.0° | 117.5° |
| C8 | C7 | H23 | 119.9° | 117.5° |
| C8 | C7 | H24 | 120.0° | 117.5° |
| H5 | C16 | H6 | 109.5° | 109.4° |
| H7 | C18 | H8 | 109.5° | 109.4° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H18 | C6 | H19 | 109.5° | 109.5° |
| H21 | C8 | H22 | 109.5° | 115.5° |
| H23 | C7 | H24 | 109.4° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C29 | C27 | C26 | 4.3° | 179.7° |
| O3 | C29 | O4 | C27 | 178.2° | 180.0° |
| O3 | C29 | C27 | C28 | 176.6° | 0.0° |
| O3 | C29 | O4 | H1 | 0.0° | 0.0° |
| C25 | C26 | C27 | H2 | 180.0° | 179.9° |
| C25 | C26 | C27 | C29 | 179.0° | 180.0° |
| C26 | C25 | C23 | H3 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.3° |
| C26 | C25 | C23 | N3 | 177.9° | 180.0° |
| C26 | C25 | C23 | C24 | 0.8° | 0.0° |
| C26 | C27 | C29 | O4 | 173.9° | 0.3° |
| C26 | C27 | C29 | C28 | 179.1° | 179.7° |
| C27 | C26 | C25 | C23 | 1.1° | 0.0° |
| C26 | C27 | C28 | C24 | 1.0° | 0.5° |
| C27 | C26 | C25 | H3 | 178.9° | 180.0° |
| C26 | C27 | C28 | H4 | 179.0° | 179.7° |
| O4 | C29 | C27 | C28 | 5.2° | 180.0° |
| C29 | C27 | C28 | C24 | 179.9° | 179.8° |
| C27 | C29 | O4 | H1 | 178.2° | 180.0° |
| C29 | C27 | C26 | H2 | 1.1° | 0.1° |
| C29 | C27 | C28 | H4 | 0.1° | 0.0° |
| C25 | C23 | N3 | C24 | 177.3° | 180.0° |
| C25 | C23 | C24 | C28 | 0.4° | 0.2° |
| C25 | C23 | N3 | C21 | 179.2° | 180.0° |
| C25 | C23 | C24 | S1 | 179.4° | 180.0° |
| C23 | C25 | C26 | H2 | 178.9° | 180.0° |
| C27 | C28 | C24 | C23 | 1.3° | 0.5° |
| C27 | C28 | C24 | H4 | 180.0° | 179.8° |
| C27 | C28 | C24 | S1 | 179.8° | 179.8° |
| C28 | C27 | C26 | H2 | 179.8° | 179.8° |
| N3 | C23 | C24 | C28 | 177.2° | 179.8° |
| N3 | C23 | C24 | S1 | 1.8° | 0.0° |
| C23 | N3 | C21 | S1 | 1.3° | 0.0° |
| C23 | N3 | C21 | N2 | 175.3° | 179.9° |
| N3 | C23 | C25 | H3 | 2.0° | 0.0° |
| C23 | C24 | C28 | S1 | 178.9° | 179.7° |
| C24 | C23 | N3 | C21 | 1.9° | 0.0° |
| C23 | C24 | S1 | C21 | 0.9° | 0.0° |
| C24 | C23 | C25 | H3 | 179.2° | 180.0° |
| C23 | C24 | C28 | H4 | 178.7° | 179.7° |
| C28 | C24 | S1 | C21 | 178.1° | 179.7° |
| N3 | C21 | S1 | C24 | 0.2° | 0.0° |
| N3 | C21 | S1 | N2 | 176.7° | 179.9° |
| N3 | C21 | N2 | C16 | 8.9° | 124.3° |
| N3 | C21 | N2 | C18 | 164.5° | 0.0° |
| C24 | S1 | C21 | N2 | 176.5° | 179.9° |
| S1 | C24 | C28 | H4 | 0.2° | 0.0° |
| S1 | C21 | N2 | C16 | 174.6° | 55.7° |
| S1 | C21 | N2 | C18 | 11.9° | 180.0° |
| C21 | N2 | C16 | C18 | 172.8° | 124.2° |
| C21 | N2 | C16 | C14 | 165.9° | 174.2° |
| C21 | N2 | C18 | C17 | 157.3° | 174.2° |
| C21 | N2 | C16 | H5 | 45.4° | 54.2° |
| C21 | N2 | C16 | H6 | 73.6° | 65.7° |
| C21 | N2 | C18 | H7 | 82.8° | 65.7° |
| C21 | N2 | C18 | H8 | 37.4° | 54.2° |
| C22 | C19 | C14 | H14 | 120.1° | 120.0° |
| C22 | C19 | C14 | H15 | 120.1° | 120.0° |
| C22 | C19 | C14 | C16 | 108.6° | 58.8° |
| C19 | C22 | C20 | H12 | 120.4° | 120.0° |
| C19 | C22 | C20 | H13 | 120.4° | 120.0° |
| C22 | C19 | C14 | C15 | 17.4° | 60.5° |
| C19 | C22 | C20 | C17 | 56.1° | 59.8° |
| C19 | C22 | C20 | H10 | 64.5° | 60.3° |
| C19 | C22 | C20 | H11 | 176.7° | 179.7° |
| C19 | C22 | H12 | H13 | 118.9° | 120.0° |
| C22 | C19 | H14 | H15 | 119.6° | 120.0° |
| C22 | C19 | C14 | H16 | 135.8° | 179.0° |
| C19 | C14 | C16 | N2 | 92.1° | 59.9° |
| C19 | C14 | C16 | C15 | 128.4° | 119.3° |
| C19 | C14 | C16 | H16 | 115.3° | 120.2° |
| C14 | C19 | C22 | C20 | 41.1° | 59.7° |
| C19 | C14 | C15 | H16 | 118.3° | 120.3° |
| C19 | C14 | C15 | C17 | 62.1° | 61.2° |
| C19 | C14 | C15 | O2 | 56.4° | 58.6° |
| C19 | C14 | C16 | H5 | 28.4° | 60.1° |
| C19 | C14 | C16 | H6 | 147.4° | 179.9° |
| C14 | C19 | C22 | H12 | 161.5° | 179.7° |
| C14 | C19 | C22 | H13 | 79.3° | 60.3° |
| C14 | C19 | H14 | H15 | 119.6° | 120.0° |
| C19 | C14 | C15 | H17 | 178.9° | 179.0° |
| N2 | C16 | C14 | H5 | 120.5° | 120.0° |
| N2 | C16 | C14 | H6 | 120.5° | 120.1° |
| N2 | C16 | C14 | C15 | 36.3° | 59.4° |
| C16 | N2 | C18 | C17 | 29.9° | 61.6° |
| N2 | C16 | H5 | H6 | 118.4° | 120.0° |
| C16 | N2 | C18 | H7 | 89.9° | 58.5° |
| C16 | N2 | C18 | H8 | 149.8° | 178.4° |
| N2 | C16 | C14 | H16 | 152.6° | 180.0° |
| C14 | C16 | N2 | C18 | 21.3° | 61.6° |
| C16 | C14 | C15 | H16 | 116.4° | 120.3° |
| C16 | C14 | C15 | C17 | 63.2° | 58.2° |
| C16 | C14 | C15 | O2 | 178.3° | 178.0° |
| C14 | C16 | H5 | H6 | 118.4° | 120.0° |
| C16 | C14 | C19 | H14 | 131.3° | 178.8° |
| C16 | C14 | C19 | H15 | 11.5° | 61.2° |
| C16 | C14 | C15 | H17 | 53.6° | 61.6° |
| N2 | C18 | C17 | C20 | 69.9° | 59.9° |
| N2 | C18 | C17 | H7 | 119.9° | 120.1° |
| N2 | C18 | C17 | H8 | 119.9° | 120.0° |
| N2 | C18 | C17 | C15 | 54.5° | 59.4° |
| C18 | N2 | C16 | H5 | 141.9° | 178.4° |
| C18 | N2 | C16 | H6 | 99.2° | 58.5° |
| N2 | C18 | H7 | H8 | 120.4° | 119.9° |
| N2 | C18 | C17 | H9 | 172.5° | 179.5° |
| C22 | C20 | C17 | H10 | 120.6° | 120.0° |
| C22 | C20 | C17 | H11 | 120.6° | 120.0° |
| C22 | C20 | C17 | C18 | 128.8° | 58.8° |
| C22 | C20 | C17 | C15 | 8.5° | 60.5° |
| C22 | C20 | C17 | H9 | 113.6° | 179.2° |
| C22 | C20 | H10 | H11 | 118.2° | 120.0° |
| C20 | C22 | H12 | H13 | 118.9° | 119.9° |
| C20 | C22 | C19 | H14 | 161.2° | 60.3° |
| C20 | C22 | C19 | H15 | 79.0° | 179.7° |
| C11 | C12 | C13 | H25 | 180.0° | 180.0° |
| C12 | C11 | C10 | H26 | 180.0° | 179.9° |
| C11 | C12 | C13 | CL1 | 179.8° | 180.0° |
| C11 | C12 | C13 | C5 | 2.9° | 0.0° |
| C12 | C11 | C10 | C9 | 0.7° | 0.0° |
| C12 | C11 | C10 | H27 | 179.3° | 180.0° |
| C13 | C12 | C11 | C10 | 2.1° | 0.0° |
| C12 | C13 | CL1 | C5 | 177.0° | 180.0° |
| C12 | C13 | C5 | C9 | 1.1° | 0.0° |
| C12 | C13 | C5 | C3 | 179.7° | 179.7° |
| C13 | C12 | C11 | H26 | 177.9° | 180.0° |
| C14 | C15 | C17 | C20 | 46.9° | 61.2° |
| C14 | C15 | C17 | C18 | 73.3° | 58.2° |
| C14 | C15 | C17 | O2 | 124.4° | 119.9° |
| C14 | C15 | C17 | H17 | 116.5° | 119.8° |
| C14 | C15 | O2 | H17 | 123.9° | 120.3° |
| C14 | C15 | O2 | C6 | 60.2° | 90.6° |
| C15 | C14 | C16 | H5 | 156.9° | 179.4° |
| C15 | C14 | C16 | H6 | 84.2° | 60.6° |
| C14 | C15 | C17 | H9 | 168.8° | 178.3° |
| C15 | C14 | C19 | H14 | 102.7° | 59.5° |
| C15 | C14 | C19 | H15 | 137.6° | 179.5° |
| C11 | C10 | C9 | H27 | 180.0° | 180.0° |
| C11 | C10 | C9 | C5 | 2.6° | 0.0° |
| C11 | C10 | C9 | CL2 | 179.6° | 179.8° |
| C10 | C11 | C12 | H25 | 177.9° | 180.0° |
| C20 | C17 | C18 | C15 | 124.4° | 119.3° |
| C20 | C17 | C18 | H9 | 117.6° | 120.6° |
| C20 | C17 | C15 | H9 | 121.9° | 120.5° |
| C20 | C17 | C15 | O2 | 77.5° | 58.6° |
| C20 | C17 | C18 | H7 | 170.3° | 180.0° |
| C20 | C17 | C18 | H8 | 50.0° | 60.1° |
| C17 | C20 | H10 | H11 | 118.2° | 120.0° |
| C17 | C20 | C22 | H12 | 176.5° | 179.8° |
| C17 | C20 | C22 | H13 | 64.3° | 60.3° |
| C20 | C17 | C15 | H17 | 163.4° | 179.0° |
| CL1 | C13 | C5 | C9 | 178.1° | 179.9° |
| CL1 | C13 | C5 | C3 | 3.3° | 0.2° |
| CL1 | C13 | C12 | H25 | 0.2° | 0.0° |
| C18 | C17 | C15 | H9 | 117.9° | 120.1° |
| C18 | C17 | C15 | O2 | 162.3° | 178.0° |
| C17 | C18 | H7 | H8 | 120.4° | 119.9° |
| C18 | C17 | C20 | H10 | 8.2° | 178.8° |
| C18 | C17 | C20 | H11 | 110.6° | 61.2° |
| C18 | C17 | C15 | H17 | 43.3° | 61.6° |
| C13 | C5 | C9 | C10 | 1.8° | 0.0° |
| C13 | C5 | C9 | C3 | 178.6° | 179.7° |
| C13 | C5 | C9 | CL2 | 178.8° | 179.8° |
| C13 | C5 | C3 | C2 | 77.5° | 121.7° |
| C13 | C5 | C3 | N1 | 101.7° | 58.0° |
| C5 | C13 | C12 | H25 | 177.1° | 180.0° |
| C10 | C9 | C5 | CL2 | 177.0° | 179.8° |
| C10 | C9 | C5 | C3 | 176.8° | 179.7° |
| C9 | C10 | C11 | H26 | 179.3° | 179.9° |
| C17 | C15 | O2 | H17 | 118.3° | 120.2° |
| C17 | C15 | O2 | C6 | 178.0° | 150.0° |
| C15 | C17 | C18 | H7 | 65.4° | 60.7° |
| C15 | C17 | C18 | H8 | 174.3° | 179.4° |
| C15 | C17 | C20 | H10 | 112.1° | 59.5° |
| C15 | C17 | C20 | H11 | 129.1° | 179.5° |
| C17 | C15 | C14 | H16 | 179.6° | 178.5° |
| C15 | O2 | C6 | C2 | 171.9° | 180.0° |
| O2 | C15 | C17 | H9 | 44.4° | 61.9° |
| O2 | C15 | C14 | H16 | 61.8° | 61.6° |
| C15 | O2 | C6 | H18 | 68.3° | 60.0° |
| C15 | O2 | C6 | H19 | 52.2° | 60.0° |
| C9 | C5 | C3 | C2 | 101.1° | 58.6° |
| C9 | C5 | C3 | N1 | 79.6° | 121.6° |
| C5 | C9 | C10 | H27 | 177.4° | 179.9° |
| C3 | C5 | C9 | CL2 | 0.2° | 0.1° |
| C5 | C3 | C2 | C6 | 2.5° | 0.0° |
| C5 | C3 | C2 | N1 | 179.4° | 179.8° |
| C5 | C3 | C2 | C1 | 179.6° | 179.8° |
| C5 | C3 | N1 | O1 | 179.8° | 179.7° |
| O2 | C6 | C2 | H18 | 119.7° | 120.0° |
| O2 | C6 | C2 | H19 | 119.7° | 120.0° |
| O2 | C6 | C2 | C3 | 63.8° | 96.3° |
| O2 | C6 | C2 | C1 | 118.9° | 84.0° |
| C6 | O2 | C15 | H17 | 63.6° | 29.7° |
| O2 | C6 | H18 | H19 | 120.8° | 120.0° |
| CL2 | C9 | C10 | H27 | 0.3° | 0.3° |
| C6 | C2 | C3 | C1 | 177.9° | 179.8° |
| C6 | C2 | C3 | N1 | 176.9° | 179.8° |
| C6 | C2 | C1 | O1 | 177.1° | 180.0° |
| C6 | C2 | C1 | C4 | 2.2° | 0.1° |
| C2 | C6 | H18 | H19 | 120.8° | 120.0° |
| C2 | C3 | N1 | O1 | 0.8° | 0.5° |
| C3 | C2 | C1 | O1 | 0.8° | 0.2° |
| C3 | C2 | C1 | C4 | 179.9° | 179.7° |
| C3 | C2 | C6 | H18 | 56.0° | 143.7° |
| C3 | C2 | C6 | H19 | 176.5° | 23.8° |
| N1 | C3 | C2 | C1 | 1.0° | 0.4° |
| C3 | N1 | O1 | C1 | 0.3° | 0.3° |
| C2 | C1 | O1 | N1 | 0.3° | 0.0° |
| C2 | C1 | O1 | C4 | 179.5° | 179.9° |
| C2 | C1 | C4 | C8 | 119.3° | 120.0° |
| C2 | C1 | C4 | C7 | 174.2° | 171.4° |
| C1 | C2 | C6 | H18 | 121.4° | 36.0° |
| C1 | C2 | C6 | H19 | 0.9° | 155.9° |
| C2 | C1 | C4 | H20 | 22.3° | 25.7° |
| N1 | O1 | C1 | C4 | 179.8° | 180.0° |
| O1 | C1 | C4 | C8 | 60.0° | 60.0° |
| O1 | C1 | C4 | C7 | 6.5° | 8.6° |
| O1 | C1 | C4 | H20 | 158.4° | 154.3° |
| C1 | C4 | C8 | C7 | 110.4° | 107.5° |
| C1 | C4 | C8 | H20 | 142.0° | 145.0° |
| C1 | C4 | C7 | H20 | 152.1° | 145.0° |
| C1 | C4 | C8 | H21 | 1.0° | 0.0° |
| C1 | C4 | C8 | H22 | 140.1° | 145.0° |
| C1 | C4 | C7 | H23 | 149.9° | 145.0° |
| C1 | C4 | C7 | H24 | 9.0° | 0.0° |
| C8 | C4 | C7 | H20 | 107.3° | 107.5° |
| C4 | C8 | C7 | H21 | 109.4° | 107.5° |
| C4 | C8 | C7 | H22 | 109.4° | 107.5° |
| C4 | C8 | H21 | H22 | 144.8° | 145.7° |
| C8 | C4 | C7 | H23 | 109.5° | 107.5° |
| C8 | C4 | C7 | H24 | 109.6° | 107.5° |
| C4 | C7 | H23 | H24 | 144.6° | 145.6° |
| C7 | C8 | H21 | H22 | 144.8° | 145.6° |
| C8 | C7 | H23 | H24 | 144.6° | 145.8° |
| H2 | C26 | C25 | H3 | 1.1° | 0.0° |
| H5 | C16 | C14 | H16 | 86.8° | 60.0° |
| H6 | C16 | C14 | H16 | 32.1° | 59.9° |
| H7 | C18 | C17 | H9 | 52.7° | 59.4° |
| H8 | C18 | C17 | H9 | 67.6° | 60.5° |
| H9 | C17 | C20 | H10 | 125.8° | 60.8° |
| H9 | C17 | C20 | H11 | 7.0° | 59.3° |
| H9 | C17 | C15 | H17 | 74.7° | 58.5° |
| H10 | C20 | C22 | H12 | 55.9° | 59.8° |
| H10 | C20 | C22 | H13 | 175.1° | 179.7° |
| H11 | C20 | C22 | H12 | 62.9° | 60.3° |
| H11 | C20 | C22 | H13 | 56.3° | 59.7° |
| H12 | C22 | C19 | H14 | 78.4° | 59.7° |
| H12 | C22 | C19 | H15 | 41.3° | 60.3° |
| H13 | C22 | C19 | H14 | 40.8° | 179.7° |
| H13 | C22 | C19 | H15 | 160.6° | 59.7° |
| H14 | C19 | C14 | H16 | 15.7° | 61.0° |
| H15 | C19 | C14 | H16 | 104.1° | 59.0° |
| H16 | C14 | C15 | H17 | 62.8° | 58.8° |
| H20 | C4 | C8 | H21 | 143.0° | 145.0° |
| H20 | C4 | C8 | H22 | 1.9° | 0.0° |
| H20 | C4 | C7 | H23 | 2.2° | 0.0° |
| H20 | C4 | C7 | H24 | 143.1° | 145.0° |
| H21 | C8 | C7 | H23 | 141.0° | 145.1° |
| H21 | C8 | C7 | H24 | 0.1° | 0.1° |
| H22 | C8 | C7 | H23 | 0.1° | 0.1° |
| H22 | C8 | C7 | H24 | 141.0° | 145.0° |
| H25 | C12 | C11 | H26 | 2.1° | 0.0° |
| H26 | C11 | C10 | H27 | 0.7° | 0.1° |
