3EL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.36Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.36Å | 1.37Å | Aromatic |
| C16 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C19 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| O3 | S1 | doub | 1.42Å | 1.47Å | |
| O2 | S1 | doub | 1.42Å | 1.48Å | |
| C2 | C1 | sing | 1.42Å | 1.38Å | Aromatic |
| C2 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| S1 | N1 | sing | 1.66Å | 1.61Å | |
| S1 | C26 | sing | 1.76Å | 1.69Å | |
| C1 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.40Å | 1.32Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.34Å | |
| C3 | C4 | doub | 1.37Å | 1.38Å | Aromatic |
| O1 | C11 | sing | 1.36Å | 1.33Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | N4 | sing | 1.32Å | 1.30Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| N4 | C15 | doub | 1.32Å | 1.32Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| C11 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C7 | sing | 1.48Å | 1.40Å | |
| C12 | N3 | doub | 1.33Å | 1.32Å | Aromatic |
| N2 | C10 | sing | 1.32Å | 1.31Å | Aromatic |
| C15 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C15 | N5 | sing | 1.38Å | 1.32Å | |
| C7 | C8 | doub | 1.40Å | 1.37Å | Aromatic |
| N5 | C20 | sing | 1.47Å | 1.46Å | |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C20 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | N6 | sing | 1.47Å | 1.46Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| N6 | H6 | sing | 1.01Å | 1.00Å | |
| N6 | H7 | sing | 1.01Å | 1.00Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å | |
| C10 | H19 | sing | 1.08Å | 1.08Å | |
| C4 | H20 | sing | 1.08Å | 1.08Å | |
| C5 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C17 | H24 | sing | 1.08Å | 1.08Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| N1 | H26 | sing | 0.97Å | 1.00Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 120.7° | 120.9° |
| C17 | C18 | C19 | 118.8° | 121.0° |
| C17 | C18 | H23 | 120.6° | 119.5° |
| C18 | C17 | H24 | 119.6° | 119.6° |
| C17 | C16 | C2 | 120.5° | 119.7° |
| C16 | C17 | H24 | 119.7° | 119.5° |
| C17 | C16 | H25 | 119.7° | 120.1° |
| C18 | C19 | C1 | 121.0° | 119.6° |
| C18 | C19 | H22 | 119.5° | 120.2° |
| C19 | C18 | H23 | 120.6° | 119.5° |
| C16 | C2 | C1 | 118.6° | 119.4° |
| C16 | C2 | C6 | 121.3° | 121.2° |
| C2 | C16 | H25 | 119.7° | 120.2° |
| C19 | C1 | C2 | 120.4° | 119.4° |
| C19 | C1 | C3 | 119.7° | 121.2° |
| C1 | C19 | H22 | 119.5° | 120.2° |
| O3 | S1 | O2 | 110.9° | 123.2° |
| O3 | S1 | N1 | 108.5° | 106.4° |
| O3 | S1 | C26 | 105.7° | 106.4° |
| O2 | S1 | N1 | 108.2° | 106.4° |
| O2 | S1 | C26 | 109.7° | 106.4° |
| C1 | C2 | C6 | 120.1° | 119.4° |
| C2 | C1 | C3 | 119.9° | 119.5° |
| C2 | C6 | N1 | 121.8° | 120.3° |
| C2 | C6 | C5 | 119.4° | 119.5° |
| N1 | S1 | C26 | 113.8° | 107.2° |
| S1 | N1 | C6 | 122.3° | 120.0° |
| S1 | N1 | H26 | 106.2° | 120.0° |
| S1 | C26 | C31 | 117.9° | 120.0° |
| S1 | C26 | C27 | 120.7° | 120.0° |
| C1 | C3 | O1 | 117.8° | 120.1° |
| C1 | C3 | C4 | 120.0° | 119.8° |
| N1 | C6 | C5 | 118.7° | 120.2° |
| C6 | N1 | H26 | 106.2° | 120.0° |
| C6 | C5 | C4 | 120.7° | 120.8° |
| C6 | C5 | H21 | 119.7° | 119.6° |
| C26 | C31 | C30 | 119.1° | 120.0° |
| C31 | C26 | C27 | 121.5° | 120.0° |
| C26 | C31 | H31 | 120.4° | 120.0° |
| C31 | C30 | C29 | 119.7° | 120.0° |
| C31 | C30 | H30 | 120.1° | 120.0° |
| C30 | C31 | H31 | 120.4° | 120.0° |
| C26 | C27 | C28 | 119.1° | 120.0° |
| C26 | C27 | H27 | 120.4° | 120.0° |
| O1 | C3 | C4 | 122.1° | 120.1° |
| C3 | O1 | C11 | 126.7° | 118.0° |
| C3 | C4 | C5 | 119.9° | 121.0° |
| C3 | C4 | H20 | 120.1° | 119.5° |
| O1 | C11 | N2 | 119.0° | 119.7° |
| O1 | C11 | C7 | 119.2° | 119.8° |
| C13 | C14 | N4 | 120.2° | 119.2° |
| C14 | C13 | C12 | 119.8° | 118.5° |
| C13 | C14 | H15 | 119.9° | 120.4° |
| C14 | C13 | H16 | 120.1° | 120.7° |
| C14 | N4 | C15 | 120.0° | 121.0° |
| N4 | C14 | H15 | 119.9° | 120.4° |
| C13 | C12 | C7 | 124.7° | 120.5° |
| C13 | C12 | N3 | 116.9° | 119.0° |
| C12 | C13 | H16 | 120.1° | 120.8° |
| N4 | C15 | N3 | 121.0° | 121.7° |
| N4 | C15 | N5 | 119.2° | 119.2° |
| C30 | C29 | C28 | 120.7° | 120.0° |
| C30 | C29 | H29 | 119.7° | 120.0° |
| C29 | C30 | H30 | 120.1° | 120.0° |
| N2 | C11 | C7 | 121.8° | 120.5° |
| C11 | N2 | C10 | 121.4° | 121.7° |
| C11 | C7 | C12 | 125.2° | 120.5° |
| C11 | C7 | C8 | 117.6° | 118.8° |
| C5 | C4 | H20 | 120.1° | 119.5° |
| C4 | C5 | H21 | 119.7° | 119.6° |
| C7 | C12 | N3 | 118.3° | 120.5° |
| C12 | C7 | C8 | 117.2° | 120.6° |
| C12 | N3 | C15 | 122.1° | 120.6° |
| N2 | C10 | C9 | 120.0° | 121.1° |
| N2 | C10 | H19 | 120.0° | 119.4° |
| N3 | C15 | N5 | 119.8° | 119.1° |
| C15 | N5 | C20 | 120.4° | 120.0° |
| C15 | N5 | H14 | 106.7° | 120.1° |
| C7 | C8 | C9 | 119.1° | 118.4° |
| C7 | C8 | H17 | 120.4° | 120.7° |
| N5 | C20 | C25 | 109.5° | 109.5° |
| N5 | C20 | C21 | 109.7° | 109.5° |
| N5 | C20 | H13 | 110.1° | 109.5° |
| C20 | N5 | H14 | 106.7° | 120.0° |
| C27 | C28 | C29 | 119.9° | 120.0° |
| C28 | C27 | H27 | 120.4° | 120.0° |
| C27 | C28 | H28 | 120.0° | 120.0° |
| C10 | C9 | C8 | 120.1° | 119.4° |
| C10 | C9 | H18 | 119.9° | 120.3° |
| C9 | C10 | H19 | 120.0° | 119.4° |
| C20 | C25 | C24 | 110.0° | 109.5° |
| C25 | C20 | C21 | 108.9° | 109.5° |
| C20 | C25 | H11 | 109.3° | 109.5° |
| C20 | C25 | H12 | 109.3° | 109.4° |
| C25 | C20 | H13 | 109.4° | 109.5° |
| C25 | C24 | C23 | 111.6° | 109.5° |
| C25 | C24 | H9 | 108.9° | 109.4° |
| C25 | C24 | H10 | 108.9° | 109.5° |
| C24 | C25 | H11 | 109.3° | 109.5° |
| C24 | C25 | H12 | 109.3° | 109.5° |
| C9 | C8 | H17 | 120.4° | 120.9° |
| C8 | C9 | H18 | 120.0° | 120.3° |
| C20 | C21 | C22 | 110.7° | 109.5° |
| C20 | C21 | H1 | 109.2° | 109.5° |
| C20 | C21 | H2 | 109.1° | 109.5° |
| C21 | C20 | H13 | 109.2° | 109.5° |
| C29 | C28 | H28 | 120.0° | 120.0° |
| C28 | C29 | H29 | 119.7° | 120.0° |
| C24 | C23 | C22 | 110.4° | 109.5° |
| C24 | C23 | N6 | 109.2° | 109.4° |
| C24 | C23 | H5 | 109.1° | 109.5° |
| C23 | C24 | H9 | 108.9° | 109.5° |
| C23 | C24 | H10 | 108.9° | 109.5° |
| C21 | C22 | C23 | 110.8° | 109.5° |
| C22 | C21 | H1 | 109.2° | 109.5° |
| C22 | C21 | H2 | 109.2° | 109.5° |
| C21 | C22 | H3 | 109.1° | 109.4° |
| C21 | C22 | H4 | 109.1° | 109.4° |
| C22 | C23 | N6 | 108.8° | 109.4° |
| C23 | C22 | H3 | 109.1° | 109.5° |
| C23 | C22 | H4 | 109.1° | 109.5° |
| C22 | C23 | H5 | 109.3° | 109.5° |
| N6 | C23 | H5 | 110.1° | 109.5° |
| C23 | N6 | H6 | 109.5° | 111.0° |
| C23 | N6 | H7 | 109.5° | 111.0° |
| H1 | C21 | H2 | 109.5° | 109.4° |
| H3 | C22 | H4 | 109.5° | 109.5° |
| H6 | N6 | H7 | 109.4° | 111.0° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H11 | C25 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H24 | 180.0° | 179.9° |
| C17 | C18 | C19 | H23 | 180.0° | 180.0° |
| C18 | C17 | C16 | C2 | 0.2° | 0.1° |
| C17 | C18 | C19 | C1 | 0.2° | 0.0° |
| C17 | C18 | C19 | H22 | 179.8° | 180.0° |
| C18 | C17 | C16 | H25 | 179.8° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C17 | C16 | C2 | H25 | 180.0° | 179.9° |
| C17 | C16 | C2 | C1 | 0.0° | 0.1° |
| C17 | C16 | C2 | C6 | 179.5° | 179.9° |
| C16 | C17 | C18 | H23 | 179.9° | 180.0° |
| C18 | C19 | C1 | H22 | 180.0° | 180.0° |
| C18 | C19 | C1 | C2 | 0.4° | 0.0° |
| C18 | C19 | C1 | C3 | 179.3° | 179.9° |
| C19 | C18 | C17 | H24 | 179.9° | 180.0° |
| C16 | C2 | C1 | C19 | 0.2° | 0.1° |
| C16 | C2 | C1 | C6 | 179.5° | 180.0° |
| C16 | C2 | C1 | C3 | 179.4° | 180.0° |
| C16 | C2 | C6 | N1 | 0.8° | 0.1° |
| C16 | C2 | C6 | C5 | 179.9° | 179.7° |
| C2 | C16 | C17 | H24 | 179.8° | 180.0° |
| C19 | C1 | C2 | C3 | 179.6° | 179.9° |
| C19 | C1 | C2 | C6 | 179.7° | 180.0° |
| C19 | C1 | C3 | O1 | 2.9° | 0.1° |
| C19 | C1 | C3 | C4 | 179.3° | 179.8° |
| C1 | C19 | C18 | H23 | 179.8° | 180.0° |
| O3 | S1 | O2 | N1 | 118.9° | 123.0° |
| O3 | S1 | O2 | C26 | 116.4° | 122.9° |
| O3 | S1 | N1 | C26 | 117.4° | 113.5° |
| O3 | S1 | N1 | C6 | 29.1° | 53.2° |
| O3 | S1 | C26 | C31 | 35.9° | 23.3° |
| O3 | S1 | C26 | C27 | 144.2° | 156.4° |
| O3 | S1 | N1 | H26 | 92.7° | 126.8° |
| O2 | S1 | N1 | C26 | 122.2° | 113.5° |
| O2 | S1 | N1 | C6 | 149.5° | 173.9° |
| O2 | S1 | C26 | C31 | 83.7° | 156.2° |
| O2 | S1 | C26 | C27 | 96.1° | 23.5° |
| O2 | S1 | N1 | H26 | 27.8° | 6.1° |
| C1 | C2 | C6 | N1 | 179.7° | 179.9° |
| C1 | C2 | C6 | C5 | 0.6° | 0.3° |
| C2 | C1 | C3 | O1 | 177.5° | 180.0° |
| C2 | C1 | C3 | C4 | 1.1° | 0.3° |
| C2 | C1 | C19 | H22 | 179.6° | 180.0° |
| C1 | C2 | C16 | H25 | 179.9° | 180.0° |
| C2 | C6 | N1 | S1 | 94.3° | 144.2° |
| C6 | C2 | C1 | C3 | 0.1° | 0.0° |
| C2 | C6 | N1 | C5 | 179.1° | 179.8° |
| C2 | C6 | C5 | C4 | 0.4° | 0.3° |
| C2 | C6 | C5 | H21 | 179.6° | 179.8° |
| C6 | C2 | C16 | H25 | 0.6° | 0.0° |
| C2 | C6 | N1 | H26 | 27.5° | 35.7° |
| S1 | N1 | C6 | H26 | 121.8° | 180.0° |
| S1 | N1 | C6 | C5 | 86.6° | 35.6° |
| N1 | S1 | C26 | C31 | 154.9° | 90.3° |
| N1 | S1 | C26 | C27 | 25.2° | 90.0° |
| C26 | S1 | N1 | C6 | 88.3° | 60.3° |
| S1 | C26 | C31 | C27 | 179.9° | 179.7° |
| S1 | C26 | C31 | C30 | 179.8° | 179.7° |
| S1 | C26 | C27 | C28 | 179.9° | 180.0° |
| C26 | S1 | N1 | H26 | 149.9° | 119.6° |
| S1 | C26 | C27 | H27 | 0.1° | 0.0° |
| S1 | C26 | C31 | H31 | 0.2° | 0.0° |
| C1 | C3 | O1 | C4 | 176.3° | 179.7° |
| C1 | C3 | O1 | C11 | 135.6° | 85.7° |
| C1 | C3 | C4 | C5 | 1.3° | 0.2° |
| C1 | C3 | C4 | H20 | 178.8° | 179.7° |
| C3 | C1 | C19 | H22 | 0.7° | 0.1° |
| N1 | C6 | C5 | C4 | 179.6° | 179.9° |
| N1 | C6 | C5 | H21 | 0.4° | 0.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.1° |
| C6 | C5 | C4 | H21 | 180.0° | 179.9° |
| C6 | C5 | C4 | H20 | 179.5° | 179.9° |
| C5 | C6 | N1 | H26 | 151.6° | 144.5° |
| C26 | C31 | C30 | H31 | 180.0° | 179.7° |
| C26 | C31 | C30 | C29 | 0.0° | 0.6° |
| C31 | C26 | C27 | C28 | 0.2° | 0.3° |
| C31 | C26 | C27 | H27 | 179.8° | 179.7° |
| C26 | C31 | C30 | H30 | 180.0° | 179.7° |
| C30 | C31 | C26 | C27 | 0.3° | 0.6° |
| C31 | C30 | C29 | H30 | 180.0° | 179.8° |
| C31 | C30 | C29 | C28 | 0.4° | 0.3° |
| C31 | C30 | C29 | H29 | 179.6° | 179.8° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C26 | C27 | C28 | H28 | 179.8° | 180.0° |
| C27 | C26 | C31 | H31 | 179.7° | 179.7° |
| C3 | O1 | C11 | N2 | 9.0° | 4.2° |
| C3 | O1 | C11 | C7 | 171.1° | 175.3° |
| O1 | C3 | C4 | C5 | 177.5° | 179.9° |
| O1 | C3 | C4 | H20 | 2.5° | 0.1° |
| C4 | C3 | O1 | C11 | 48.0° | 94.0° |
| C3 | C4 | C5 | H20 | 180.0° | 180.0° |
| C3 | C4 | C5 | H21 | 179.5° | 180.0° |
| O1 | C11 | N2 | C7 | 179.9° | 179.5° |
| O1 | C11 | C7 | C12 | 0.8° | 0.2° |
| O1 | C11 | N2 | C10 | 179.1° | 179.9° |
| O1 | C11 | C7 | C8 | 178.7° | 180.0° |
| C13 | C14 | N4 | H15 | 180.0° | 179.7° |
| C14 | C13 | C12 | H16 | 180.0° | 179.8° |
| C13 | C14 | N4 | C15 | 0.5° | 0.0° |
| C14 | C13 | C12 | C7 | 179.4° | 180.0° |
| C14 | C13 | C12 | N3 | 0.3° | 0.5° |
| N4 | C14 | C13 | C12 | 0.6° | 0.3° |
| C14 | N4 | C15 | N3 | 0.3° | 0.0° |
| C14 | N4 | C15 | N5 | 179.9° | 179.7° |
| N4 | C14 | C13 | H16 | 179.5° | 179.9° |
| C13 | C12 | C7 | C11 | 7.0° | 179.7° |
| C13 | C12 | C7 | N3 | 179.1° | 179.5° |
| C13 | C12 | N3 | C15 | 0.1° | 0.5° |
| C13 | C12 | C7 | C8 | 175.1° | 0.0° |
| C12 | C13 | C14 | H15 | 179.4° | 179.9° |
| N4 | C15 | N3 | C12 | 0.0° | 0.3° |
| N4 | C15 | N3 | N5 | 179.9° | 179.7° |
| N4 | C15 | N5 | C20 | 170.1° | 0.3° |
| N4 | C15 | N5 | H14 | 68.4° | 179.7° |
| C15 | N4 | C14 | H15 | 179.5° | 179.7° |
| C30 | C29 | C28 | C27 | 0.5° | 0.0° |
| C30 | C29 | C28 | H29 | 180.0° | 180.0° |
| C30 | C29 | C28 | H28 | 179.5° | 180.0° |
| C29 | C30 | C31 | H31 | 180.0° | 179.7° |
| N2 | C11 | C7 | C12 | 179.2° | 179.8° |
| N2 | C11 | C7 | C8 | 1.2° | 0.5° |
| C11 | N2 | C10 | C9 | 0.3° | 0.4° |
| C11 | N2 | C10 | H19 | 179.8° | 179.8° |
| C11 | C7 | C12 | C8 | 178.0° | 179.7° |
| C11 | C7 | C12 | N3 | 172.1° | 0.8° |
| C7 | C11 | N2 | C10 | 0.8° | 0.6° |
| C11 | C7 | C8 | C9 | 1.0° | 0.3° |
| C11 | C7 | C8 | H17 | 179.0° | 179.8° |
| C7 | C12 | N3 | C15 | 179.2° | 180.0° |
| C12 | C7 | C8 | C9 | 179.1° | 180.0° |
| C7 | C12 | C13 | H16 | 0.6° | 0.2° |
| C12 | C7 | C8 | H17 | 0.9° | 0.1° |
| C12 | N3 | C15 | N5 | 179.9° | 180.0° |
| N3 | C12 | C7 | C8 | 5.8° | 179.5° |
| N3 | C12 | C13 | H16 | 179.7° | 179.7° |
| N2 | C10 | C9 | H19 | 180.0° | 179.8° |
| N2 | C10 | C9 | C8 | 0.1° | 0.1° |
| N2 | C10 | C9 | H18 | 179.9° | 179.9° |
| N3 | C15 | N5 | C20 | 10.1° | 180.0° |
| N3 | C15 | N5 | H14 | 111.5° | 0.0° |
| C15 | N5 | C20 | H14 | 121.5° | 179.9° |
| C15 | N5 | C20 | C25 | 160.0° | 155.0° |
| C15 | N5 | C20 | C21 | 80.6° | 85.0° |
| C15 | N5 | C20 | H13 | 39.7° | 35.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.0° |
| C7 | C8 | C9 | H17 | 180.0° | 179.9° |
| C7 | C8 | C9 | H18 | 179.5° | 180.0° |
| N5 | C20 | C25 | C21 | 120.0° | 120.0° |
| N5 | C20 | C25 | H13 | 120.7° | 120.0° |
| N5 | C20 | C25 | C24 | 179.9° | 180.0° |
| N5 | C20 | C21 | H13 | 120.8° | 120.0° |
| N5 | C20 | C21 | C22 | 179.7° | 180.0° |
| N5 | C20 | C21 | H1 | 60.1° | 60.0° |
| N5 | C20 | C21 | H2 | 59.5° | 60.0° |
| N5 | C20 | C25 | H11 | 60.0° | 60.0° |
| N5 | C20 | C25 | H12 | 59.8° | 60.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | H29 | 179.6° | 180.0° |
| C10 | C9 | C8 | H18 | 180.0° | 180.0° |
| C10 | C9 | C8 | H17 | 179.5° | 180.0° |
| C20 | C25 | C24 | H11 | 120.1° | 120.0° |
| C20 | C25 | C24 | H12 | 120.1° | 120.0° |
| C25 | C20 | C21 | H13 | 119.3° | 120.0° |
| C20 | C25 | C24 | C23 | 57.9° | 60.0° |
| C25 | C20 | C21 | C22 | 60.4° | 60.0° |
| C25 | C20 | C21 | H1 | 59.8° | 180.0° |
| C25 | C20 | C21 | H2 | 179.4° | 60.0° |
| C20 | C25 | C24 | H9 | 62.4° | 180.0° |
| C20 | C25 | C24 | H10 | 178.2° | 60.0° |
| C20 | C25 | H11 | H12 | 119.7° | 119.9° |
| C25 | C20 | N5 | H14 | 38.5° | 25.0° |
| C24 | C25 | C20 | C21 | 59.9° | 60.0° |
| C25 | C24 | C23 | H9 | 120.3° | 119.9° |
| C25 | C24 | C23 | H10 | 120.3° | 120.0° |
| C25 | C24 | C23 | C22 | 54.6° | 60.1° |
| C25 | C24 | C23 | N6 | 174.2° | 180.0° |
| C25 | C24 | C23 | H5 | 65.5° | 60.0° |
| C25 | C24 | H9 | H10 | 119.0° | 120.0° |
| C24 | C25 | H11 | H12 | 119.8° | 120.1° |
| C24 | C25 | C20 | H13 | 59.4° | 60.0° |
| C8 | C9 | C10 | H19 | 179.9° | 179.9° |
| C20 | C21 | C22 | H1 | 120.2° | 120.0° |
| C20 | C21 | C22 | H2 | 120.2° | 120.0° |
| C20 | C21 | C22 | C23 | 58.0° | 60.0° |
| C20 | C21 | H1 | H2 | 119.4° | 120.0° |
| C20 | C21 | C22 | H3 | 178.2° | 180.0° |
| C20 | C21 | C22 | H4 | 62.2° | 60.0° |
| C21 | C20 | C25 | H11 | 180.0° | 60.0° |
| C21 | C20 | C25 | H12 | 60.2° | 180.0° |
| C21 | C20 | N5 | H14 | 157.9° | 95.0° |
| C29 | C28 | C27 | H27 | 179.8° | 180.0° |
| C28 | C29 | C30 | H30 | 179.6° | 180.0° |
| C24 | C23 | C22 | C21 | 54.3° | 60.0° |
| C24 | C23 | C22 | N6 | 119.8° | 120.0° |
| C24 | C23 | C22 | H5 | 120.0° | 120.1° |
| C24 | C23 | N6 | H5 | 119.8° | 120.0° |
| C24 | C23 | C22 | H3 | 174.5° | 180.0° |
| C24 | C23 | C22 | H4 | 65.9° | 59.9° |
| C24 | C23 | N6 | H6 | 180.0° | 60.0° |
| C24 | C23 | N6 | H7 | 60.0° | 176.0° |
| C23 | C24 | H9 | H10 | 119.0° | 120.1° |
| C23 | C24 | C25 | H11 | 178.0° | 60.0° |
| C23 | C24 | C25 | H12 | 62.2° | 180.0° |
| C21 | C22 | C23 | H3 | 120.2° | 120.0° |
| C21 | C22 | C23 | H4 | 120.2° | 120.0° |
| C21 | C22 | C23 | N6 | 174.1° | 180.0° |
| C22 | C21 | H1 | H2 | 119.5° | 120.0° |
| C21 | C22 | H3 | H4 | 119.4° | 119.9° |
| C21 | C22 | C23 | H5 | 65.7° | 60.0° |
| C22 | C21 | C20 | H13 | 58.9° | 60.0° |
| C22 | C23 | N6 | H5 | 119.7° | 120.0° |
| C23 | C22 | C21 | H1 | 62.2° | 180.0° |
| C23 | C22 | C21 | H2 | 178.2° | 60.0° |
| C23 | C22 | H3 | H4 | 119.4° | 120.1° |
| C22 | C23 | N6 | H6 | 59.4° | 180.0° |
| C22 | C23 | N6 | H7 | 60.6° | 56.0° |
| C22 | C23 | C24 | H9 | 65.7° | 180.0° |
| C22 | C23 | C24 | H10 | 174.9° | 60.0° |
| N6 | C23 | C22 | H3 | 65.7° | 60.0° |
| N6 | C23 | C22 | H4 | 53.9° | 60.0° |
| C23 | N6 | H6 | H7 | 120.0° | 123.9° |
| N6 | C23 | C24 | H9 | 53.9° | 60.0° |
| N6 | C23 | C24 | H10 | 65.5° | 60.0° |
| H1 | C21 | C22 | H3 | 58.0° | 60.0° |
| H1 | C21 | C22 | H4 | 177.6° | 60.0° |
| H1 | C21 | C20 | H13 | 179.1° | 60.0° |
| H2 | C21 | C22 | H3 | 61.6° | 60.0° |
| H2 | C21 | C22 | H4 | 58.0° | 180.0° |
| H2 | C21 | C20 | H13 | 61.3° | 180.0° |
| H3 | C22 | C23 | H5 | 54.5° | 59.9° |
| H4 | C22 | C23 | H5 | 174.1° | 180.0° |
| H5 | C23 | N6 | H6 | 60.3° | 60.0° |
| H5 | C23 | N6 | H7 | 179.8° | 64.0° |
| H5 | C23 | C24 | H9 | 174.2° | 60.0° |
| H5 | C23 | C24 | H10 | 54.8° | NaN° |
| H9 | C24 | C25 | H11 | 57.7° | 60.0° |
| H9 | C24 | C25 | H12 | 177.5° | 60.0° |
| H10 | C24 | C25 | H11 | 61.7° | 180.0° |
| H10 | C24 | C25 | H12 | 58.1° | 60.0° |
| H11 | C25 | C20 | H13 | 60.7° | 180.0° |
| H12 | C25 | C20 | H13 | 179.5° | 60.0° |
| H13 | C20 | N5 | H14 | 81.8° | 145.0° |
| H15 | C14 | C13 | H16 | 0.5° | 0.3° |
| H17 | C8 | C9 | H18 | 0.5° | 0.0° |
| H18 | C9 | C10 | H19 | 0.1° | 0.1° |
| H20 | C4 | C5 | H21 | 0.5° | 0.0° |
| H22 | C19 | C18 | H23 | 0.2° | 0.1° |
| H23 | C18 | C17 | H24 | 0.1° | 0.1° |
| H24 | C17 | C16 | H25 | 0.2° | 0.0° |
| H27 | C27 | C28 | H28 | 0.2° | 0.0° |
| H28 | C28 | C29 | H29 | 0.5° | 0.0° |
| H29 | C29 | C30 | H30 | 0.4° | 0.0° |
| H30 | C30 | C31 | H31 | 0.0° | 0.0° |
