A1H56
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| O4 | C11 | doub | 1.22Å | 1.22Å | |
| C22 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| O3 | S1 | doub | 1.42Å | 1.43Å | |
| C11 | N2 | sing | 1.35Å | 1.35Å | |
| C11 | C12 | sing | 1.48Å | 1.51Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N2 | sing | 1.40Å | 1.44Å | |
| C10 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.50Å | |
| C7 | C8 | sing | 1.39Å | 1.43Å | Aromatic |
| C18 | N5 | sing | 1.47Å | 1.47Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C21 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C25 | doub | 1.39Å | 1.45Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| S1 | N5 | sing | 1.66Å | 1.62Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| S1 | C19 | sing | 1.81Å | 1.82Å | |
| C12 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C20 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C2 | N1 | sing | 1.40Å | 1.42Å | |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| N3 | C13 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| C1 | C27 | sing | 1.48Å | 1.51Å | |
| C16 | N4 | sing | 1.47Å | 1.47Å | |
| C15 | N4 | sing | 1.47Å | 1.48Å | |
| C27 | N6 | doub | 1.33Å | 1.34Å | Aromatic |
| C27 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| N6 | C28 | sing | 1.31Å | 1.34Å | Aromatic |
| C34 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.37Å | Aromatic |
| N7 | C31 | sing | 1.47Å | 1.47Å | |
| N7 | C30 | sing | 1.47Å | 1.50Å | |
| C33 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | O5 | sing | 1.43Å | 1.42Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| N4 | H29 | sing | 1.01Å | 1.00Å | |
| N5 | H34 | sing | 0.97Å | 1.00Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| N7 | H39 | sing | 1.01Å | 1.00Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| O5 | H43 | sing | 0.97Å | 0.95Å | |
| C33 | H40 | sing | 1.08Å | 1.08Å | |
| C34 | H41 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 120.2° | 120.2° |
| C23 | C22 | C10 | 120.9° | 120.2° |
| C23 | C22 | H25 | 119.6° | 119.9° |
| C22 | C23 | H26 | 119.9° | 119.9° |
| C23 | C24 | C7 | 121.1° | 120.0° |
| C24 | C23 | H26 | 119.9° | 119.9° |
| C23 | C24 | H27 | 119.4° | 120.0° |
| O4 | C11 | N2 | 124.2° | 120.0° |
| O4 | C11 | C12 | 120.2° | 120.0° |
| C22 | C10 | N2 | 117.2° | 120.0° |
| C22 | C10 | C8 | 120.6° | 120.0° |
| C10 | C22 | H25 | 119.5° | 119.9° |
| C24 | C7 | C6 | 116.0° | 120.1° |
| C24 | C7 | C8 | 119.3° | 119.8° |
| C7 | C24 | H27 | 119.5° | 120.0° |
| O3 | S1 | N5 | 107.2° | 104.3° |
| O3 | S1 | O2 | 118.6° | 121.0° |
| O3 | S1 | C19 | 108.4° | 110.5° |
| N2 | C11 | C12 | 115.4° | 120.0° |
| C11 | N2 | C10 | 130.5° | 120.0° |
| C11 | N2 | H8 | 114.7° | 120.0° |
| C11 | C12 | C21 | 119.8° | 119.7° |
| C11 | C12 | N3 | 117.8° | 119.7° |
| C4 | C5 | C6 | 120.5° | 120.0° |
| C5 | C4 | C3 | 120.8° | 120.2° |
| C5 | C4 | H3 | 119.6° | 119.9° |
| C4 | C5 | H4 | 119.8° | 120.0° |
| C5 | C6 | C7 | 115.6° | 120.1° |
| C5 | C6 | C25 | 119.5° | 119.8° |
| C6 | C5 | H4 | 119.8° | 120.0° |
| N2 | C10 | C8 | 122.2° | 120.0° |
| C10 | N2 | H8 | 114.8° | 120.0° |
| C10 | C8 | C7 | 117.9° | 119.8° |
| C10 | C8 | C9 | 120.9° | 120.1° |
| C6 | C7 | C8 | 124.6° | 120.1° |
| C7 | C6 | C25 | 124.7° | 120.1° |
| C7 | C8 | C9 | 121.1° | 120.1° |
| N5 | C18 | C17 | 113.9° | 109.4° |
| C18 | N5 | S1 | 123.1° | 120.0° |
| N5 | C18 | H18 | 108.4° | 109.4° |
| N5 | C18 | H17 | 108.3° | 109.5° |
| C18 | N5 | H34 | 106.0° | 120.0° |
| C18 | C17 | C16 | 117.8° | 109.4° |
| C18 | C17 | H16 | 107.4° | 109.5° |
| C18 | C17 | H15 | 107.4° | 109.5° |
| C17 | C18 | H18 | 108.4° | 109.5° |
| C17 | C18 | H17 | 108.4° | 109.5° |
| C12 | C21 | C20 | 117.8° | 119.1° |
| C21 | C12 | N3 | 122.3° | 120.6° |
| C12 | C21 | H24 | 121.1° | 120.5° |
| C21 | C20 | C14 | 120.7° | 118.4° |
| C21 | C20 | H23 | 119.6° | 120.8° |
| C20 | C21 | H24 | 121.1° | 120.4° |
| C4 | C3 | C2 | 120.6° | 120.2° |
| C4 | C3 | H2 | 119.7° | 119.9° |
| C3 | C4 | H3 | 119.6° | 119.9° |
| C6 | C25 | C2 | 117.9° | 119.8° |
| C6 | C25 | C26 | 122.1° | 120.1° |
| C8 | C9 | H12 | 109.5° | 109.4° |
| C8 | C9 | H19 | 109.5° | 109.5° |
| C8 | C9 | H28 | 109.5° | 109.5° |
| N5 | S1 | O2 | 106.3° | 104.3° |
| N5 | S1 | C19 | 108.2° | 104.5° |
| S1 | N5 | H34 | 105.9° | 120.0° |
| O2 | S1 | C19 | 107.9° | 110.6° |
| S1 | C19 | H21 | 109.5° | 109.5° |
| S1 | C19 | H22 | 109.5° | 109.5° |
| S1 | C19 | H20 | 109.4° | 109.5° |
| C12 | N3 | C13 | 118.6° | 121.6° |
| C20 | C14 | C13 | 117.0° | 119.4° |
| C20 | C14 | C15 | 122.1° | 120.3° |
| C14 | C20 | H23 | 119.7° | 120.8° |
| C17 | C16 | N4 | 111.5° | 109.4° |
| C17 | C16 | H14 | 109.0° | 109.5° |
| C17 | C16 | H13 | 109.0° | 109.5° |
| C16 | C17 | H16 | 107.3° | 109.5° |
| C16 | C17 | H15 | 107.3° | 109.5° |
| C3 | C2 | C25 | 120.7° | 120.0° |
| C3 | C2 | N1 | 118.8° | 120.0° |
| C2 | C3 | H2 | 119.7° | 119.9° |
| C2 | C25 | C26 | 120.0° | 120.1° |
| C25 | C2 | N1 | 120.3° | 120.0° |
| C25 | C26 | H5 | 109.5° | 109.5° |
| C25 | C26 | H6 | 109.5° | 109.4° |
| C25 | C26 | H7 | 109.5° | 109.5° |
| C2 | N1 | C1 | 131.3° | 120.0° |
| C2 | N1 | H1 | 114.3° | 120.0° |
| O1 | C1 | N1 | 124.3° | 120.0° |
| O1 | C1 | C27 | 120.8° | 120.0° |
| N3 | C13 | C14 | 123.6° | 120.9° |
| N3 | C13 | H9 | 118.2° | 119.5° |
| C13 | C14 | C15 | 120.9° | 120.3° |
| C14 | C13 | H9 | 118.2° | 119.6° |
| C14 | C15 | N4 | 110.3° | 109.4° |
| C14 | C15 | H10 | 109.3° | 109.4° |
| C14 | C15 | H11 | 109.3° | 109.5° |
| N1 | C1 | C27 | 114.9° | 120.0° |
| C1 | N1 | H1 | 114.4° | 120.0° |
| C1 | C27 | N6 | 116.9° | 119.7° |
| C1 | C27 | C34 | 121.5° | 119.7° |
| C16 | N4 | C15 | 115.4° | 111.0° |
| N4 | C16 | H14 | 108.9° | 109.4° |
| N4 | C16 | H13 | 109.0° | 109.5° |
| C16 | N4 | H29 | 107.9° | 111.0° |
| N4 | C15 | H10 | 109.3° | 109.5° |
| N4 | C15 | H11 | 109.3° | 109.4° |
| C15 | N4 | H29 | 108.0° | 111.0° |
| N6 | C27 | C34 | 121.6° | 120.6° |
| C27 | N6 | C28 | 118.1° | 121.6° |
| C27 | C34 | C33 | 119.0° | 119.0° |
| C27 | C34 | H41 | 120.5° | 120.5° |
| N6 | C28 | C29 | 124.3° | 120.9° |
| N6 | C28 | H31 | 117.8° | 119.6° |
| C34 | C33 | C29 | 120.1° | 118.5° |
| C34 | C33 | H40 | 120.0° | 120.7° |
| C33 | C34 | H41 | 120.5° | 120.5° |
| C28 | C29 | C33 | 116.8° | 119.4° |
| C28 | C29 | C30 | 121.1° | 120.3° |
| C29 | C28 | H31 | 117.8° | 119.5° |
| C31 | N7 | C30 | 115.2° | 111.0° |
| N7 | C31 | C32 | 112.2° | 109.5° |
| C31 | N7 | H39 | 108.0° | 111.0° |
| N7 | C31 | H35 | 108.8° | 109.5° |
| N7 | C31 | H36 | 108.8° | 109.5° |
| N7 | C30 | C29 | 108.5° | 109.5° |
| N7 | C30 | H33 | 109.7° | 109.5° |
| N7 | C30 | H32 | 109.7° | 109.4° |
| C30 | N7 | H39 | 108.0° | 111.0° |
| C33 | C29 | C30 | 121.9° | 120.3° |
| C29 | C33 | H40 | 119.9° | 120.8° |
| C29 | C30 | H33 | 109.7° | 109.5° |
| C29 | C30 | H32 | 109.7° | 109.5° |
| C31 | C32 | O5 | 113.8° | 109.5° |
| C32 | C31 | H35 | 108.8° | 109.5° |
| C32 | C31 | H36 | 108.8° | 109.4° |
| C31 | C32 | H37 | 108.4° | 109.5° |
| C31 | C32 | H38 | 108.4° | 109.5° |
| O5 | C32 | H37 | 108.4° | 109.4° |
| O5 | C32 | H38 | 108.4° | 109.4° |
| C32 | O5 | H43 | 109.5° | 114.0° |
| H10 | C15 | H11 | 109.4° | 109.6° |
| H14 | C16 | H13 | 109.5° | 109.5° |
| H16 | C17 | H15 | 109.5° | 109.5° |
| H18 | C18 | H17 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.4° | 109.5° |
| H21 | C19 | H20 | 109.5° | 109.4° |
| H22 | C19 | H20 | 109.5° | 109.4° |
| H5 | C26 | H6 | 109.5° | 109.5° |
| H5 | C26 | H7 | 109.4° | 109.5° |
| H6 | C26 | H7 | 109.4° | 109.5° |
| H12 | C9 | H19 | 109.5° | 109.4° |
| H12 | C9 | H28 | 109.4° | 109.5° |
| H19 | C9 | H28 | 109.5° | 109.5° |
| H33 | C30 | H32 | 109.5° | 109.5° |
| H35 | C31 | H36 | 109.5° | 109.4° |
| H37 | C32 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H26 | 180.0° | 180.0° |
| C23 | C22 | C10 | H25 | 180.0° | 179.8° |
| C22 | C23 | C24 | C7 | 2.3° | 0.0° |
| C23 | C22 | C10 | N2 | 178.3° | 179.7° |
| C23 | C22 | C10 | C8 | 0.2° | 0.1° |
| C22 | C23 | C24 | H27 | 177.7° | 180.0° |
| C24 | C23 | C22 | C10 | 1.0° | 0.0° |
| C23 | C24 | C7 | H27 | 180.0° | 179.9° |
| C23 | C24 | C7 | C6 | 178.7° | 180.0° |
| C23 | C24 | C7 | C8 | 2.6° | 0.1° |
| C24 | C23 | C22 | H25 | 179.0° | 179.8° |
| O4 | C11 | N2 | C12 | 174.8° | 180.0° |
| O4 | C11 | N2 | C10 | 3.4° | 5.6° |
| O4 | C11 | C12 | C21 | 25.2° | 0.1° |
| O4 | C11 | C12 | N3 | 153.7° | 179.9° |
| O4 | C11 | N2 | H8 | 176.6° | 174.4° |
| C22 | C10 | N2 | C11 | 45.7° | 34.2° |
| C22 | C10 | N2 | C8 | 178.4° | 179.7° |
| C22 | C10 | C8 | C7 | 0.5° | 0.0° |
| C22 | C10 | C8 | C9 | 179.8° | 180.0° |
| C10 | C22 | C23 | H26 | 179.0° | 180.0° |
| C22 | C10 | N2 | H8 | 134.3° | 145.8° |
| C24 | C7 | C6 | C5 | 97.5° | 69.0° |
| C24 | C7 | C8 | C10 | 1.7° | 0.0° |
| C24 | C7 | C6 | C8 | 175.9° | 180.0° |
| C24 | C7 | C6 | C25 | 77.2° | 110.5° |
| C24 | C7 | C8 | C9 | 178.7° | 179.9° |
| C7 | C24 | C23 | H26 | 177.7° | 179.9° |
| O3 | S1 | N5 | C18 | 63.8° | 179.0° |
| O3 | S1 | N5 | O2 | 127.7° | 127.8° |
| O3 | S1 | N5 | C19 | 116.7° | 116.1° |
| O3 | S1 | O2 | C19 | 123.5° | 131.4° |
| O3 | S1 | C19 | H21 | 180.0° | 51.7° |
| O3 | S1 | C19 | H22 | 60.0° | 68.4° |
| O3 | S1 | C19 | H20 | 60.0° | 171.7° |
| O3 | S1 | N5 | H34 | 58.1° | 1.1° |
| C11 | N2 | C10 | H8 | 180.0° | 180.0° |
| C11 | N2 | C10 | C8 | 135.9° | 146.1° |
| N2 | C11 | C12 | C21 | 159.7° | 180.0° |
| N2 | C11 | C12 | N3 | 21.3° | 0.1° |
| C12 | C11 | N2 | C10 | 171.5° | 174.5° |
| C11 | C12 | C21 | N3 | 178.9° | 179.9° |
| C11 | C12 | C21 | C20 | 178.8° | 180.0° |
| C11 | C12 | N3 | C13 | 178.8° | 180.0° |
| C11 | C12 | C21 | H24 | 1.1° | 0.1° |
| C12 | C11 | N2 | H8 | 8.6° | 5.5° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 178.9° | 179.9° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | C25 | 3.9° | 0.4° |
| C5 | C4 | C3 | C2 | 1.0° | 0.1° |
| C5 | C4 | C3 | H2 | 179.0° | 180.0° |
| C5 | C6 | C7 | C25 | 174.7° | 179.5° |
| C5 | C6 | C7 | C8 | 78.4° | 111.0° |
| C6 | C5 | C4 | C3 | 2.5° | 0.2° |
| C5 | C6 | C25 | C2 | 1.8° | 0.5° |
| C5 | C6 | C25 | C26 | 177.5° | 179.8° |
| C6 | C5 | C4 | H3 | 177.5° | 179.8° |
| N2 | C10 | C8 | C7 | 177.9° | 179.7° |
| N2 | C10 | C8 | C9 | 1.8° | 0.3° |
| N2 | C10 | C22 | H25 | 1.7° | 0.1° |
| C10 | C8 | C7 | C6 | 177.5° | 180.0° |
| C10 | C8 | C7 | C9 | 179.6° | 180.0° |
| C8 | C10 | C22 | H25 | 179.8° | 179.7° |
| C10 | C8 | C9 | H12 | 90.2° | 85.0° |
| C10 | C8 | C9 | H19 | 149.8° | 34.9° |
| C10 | C8 | C9 | H28 | 29.8° | 155.0° |
| C8 | C10 | N2 | H8 | 44.1° | 33.9° |
| C6 | C7 | C8 | C9 | 2.9° | 0.0° |
| C7 | C6 | C25 | C2 | 176.3° | 180.0° |
| C7 | C6 | C25 | C26 | 3.0° | 0.3° |
| C6 | C7 | C24 | H27 | 1.3° | 0.1° |
| C7 | C6 | C5 | H4 | 1.1° | 0.2° |
| C8 | C7 | C6 | C25 | 106.9° | 69.5° |
| C8 | C7 | C24 | H27 | 177.4° | 180.0° |
| C7 | C8 | C9 | H12 | 90.2° | 95.0° |
| C7 | C8 | C9 | H19 | 29.8° | 145.0° |
| C7 | C8 | C9 | H28 | 149.8° | 25.0° |
| N5 | C18 | C17 | H18 | 120.7° | 120.0° |
| N5 | C18 | C17 | H17 | 120.6° | 120.0° |
| C18 | N5 | S1 | H34 | 121.9° | 180.0° |
| C18 | N5 | S1 | O2 | 64.0° | 51.1° |
| C18 | N5 | S1 | C19 | 179.6° | 65.0° |
| N5 | C18 | C17 | C16 | 10.6° | 180.0° |
| N5 | C18 | C17 | H16 | 110.6° | 60.0° |
| N5 | C18 | C17 | H15 | 131.8° | 60.0° |
| N5 | C18 | H18 | H17 | 118.0° | 120.0° |
| C17 | C18 | N5 | S1 | 122.4° | 165.0° |
| C18 | C17 | C16 | H16 | 121.2° | 120.0° |
| C18 | C17 | C16 | H15 | 121.2° | 120.0° |
| C18 | C17 | C16 | N4 | 166.0° | 180.0° |
| C18 | C17 | C16 | H14 | 73.7° | 60.1° |
| C18 | C17 | C16 | H13 | 45.7° | 60.0° |
| C18 | C17 | H16 | H15 | 116.2° | 120.0° |
| C17 | C18 | H18 | H17 | 118.0° | 120.0° |
| C17 | C18 | N5 | H34 | 115.7° | 15.0° |
| C12 | C21 | C20 | H24 | 180.0° | 179.9° |
| C12 | C21 | C20 | C14 | 0.3° | 0.1° |
| C21 | C12 | N3 | C13 | 0.1° | 0.1° |
| C12 | C21 | C20 | H23 | 179.7° | 179.8° |
| C20 | C21 | C12 | N3 | 0.1° | 0.1° |
| C21 | C20 | C14 | H23 | 180.0° | 179.7° |
| C21 | C20 | C14 | C13 | 0.5° | 0.0° |
| C21 | C20 | C14 | C15 | 178.7° | 179.7° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | C25 | 3.1° | 0.1° |
| C4 | C3 | C2 | N1 | 178.0° | 180.0° |
| C3 | C4 | C5 | H4 | 177.5° | 180.0° |
| C6 | C25 | C2 | C3 | 1.6° | 0.2° |
| C6 | C25 | C2 | C26 | 179.3° | 179.8° |
| C6 | C25 | C2 | N1 | 176.5° | 179.7° |
| C6 | C25 | C26 | H5 | 90.4° | 95.3° |
| C6 | C25 | C26 | H6 | 149.6° | 24.6° |
| C6 | C25 | C26 | H7 | 29.6° | 144.6° |
| C25 | C6 | C5 | H4 | 176.1° | 179.7° |
| C8 | C9 | H12 | H19 | 120.0° | 120.0° |
| C8 | C9 | H12 | H28 | 120.0° | 120.0° |
| C8 | C9 | H19 | H28 | 120.0° | 120.0° |
| N5 | S1 | O2 | C19 | 115.9° | 111.8° |
| S1 | N5 | C18 | H18 | 116.9° | 45.0° |
| S1 | N5 | C18 | H17 | 1.8° | 75.0° |
| N5 | S1 | C19 | H21 | 64.1° | 60.0° |
| N5 | S1 | C19 | H22 | 175.9° | 180.0° |
| N5 | S1 | C19 | H20 | 55.9° | 60.0° |
| O2 | S1 | C19 | H21 | 50.4° | 171.6° |
| O2 | S1 | C19 | H22 | 69.5° | 68.3° |
| O2 | S1 | C19 | H20 | 170.5° | 51.7° |
| O2 | S1 | N5 | H34 | 174.2° | 128.9° |
| S1 | C19 | H21 | H22 | 120.0° | 120.1° |
| S1 | C19 | H21 | H20 | 120.0° | 120.0° |
| S1 | C19 | H22 | H20 | 120.0° | 120.0° |
| C19 | S1 | N5 | H34 | 58.6° | 115.0° |
| C12 | N3 | C13 | C14 | 0.3° | 0.1° |
| N3 | C12 | C21 | H24 | 179.9° | 180.0° |
| C12 | N3 | C13 | H9 | 179.6° | 179.9° |
| C20 | C14 | C13 | N3 | 0.5° | 0.0° |
| C20 | C14 | C13 | C15 | 178.3° | 179.7° |
| C20 | C14 | C15 | N4 | 114.9° | 90.0° |
| C20 | C14 | C15 | H10 | 124.9° | 150.0° |
| C20 | C14 | C15 | H11 | 5.2° | 30.0° |
| C14 | C20 | C21 | H24 | 179.7° | 180.0° |
| C20 | C14 | C13 | H9 | 179.5° | 179.9° |
| C17 | C16 | N4 | H14 | 120.3° | 119.9° |
| C17 | C16 | N4 | H13 | 120.3° | 120.0° |
| C17 | C16 | N4 | C15 | 68.8° | 180.0° |
| C17 | C16 | H14 | H13 | 119.1° | 120.1° |
| C16 | C17 | H16 | H15 | 116.2° | 120.0° |
| C16 | C17 | C18 | H18 | 131.2° | 60.0° |
| C16 | C17 | C18 | H17 | 110.1° | 60.0° |
| C17 | C16 | N4 | H29 | 170.4° | 56.1° |
| C3 | C2 | C25 | N1 | 174.9° | 180.0° |
| C3 | C2 | C25 | C26 | 179.0° | 180.0° |
| C3 | C2 | N1 | C1 | 46.7° | 25.7° |
| C3 | C2 | N1 | H1 | 133.3° | 154.2° |
| C2 | C3 | C4 | H3 | 179.0° | 180.0° |
| C25 | C2 | N1 | C1 | 138.4° | 154.2° |
| C2 | C25 | C26 | H5 | 90.3° | 84.9° |
| C2 | C25 | C26 | H6 | 29.7° | 155.1° |
| C2 | C25 | C26 | H7 | 149.7° | 35.1° |
| C25 | C2 | N1 | H1 | 41.6° | 25.8° |
| C25 | C2 | C3 | H2 | 176.9° | 180.0° |
| C26 | C25 | C2 | N1 | 4.2° | 0.0° |
| C25 | C26 | H5 | H6 | 120.0° | 119.9° |
| C25 | C26 | H5 | H7 | 120.0° | 120.0° |
| C25 | C26 | H6 | H7 | 120.0° | 120.0° |
| C2 | N1 | C1 | O1 | 15.5° | 3.7° |
| C2 | N1 | C1 | H1 | 180.0° | 180.0° |
| C2 | N1 | C1 | C27 | 162.8° | 176.3° |
| N1 | C2 | C3 | H2 | 2.0° | 0.0° |
| O1 | C1 | N1 | C27 | 178.3° | 180.0° |
| O1 | C1 | C27 | N6 | 5.4° | 180.0° |
| O1 | C1 | C27 | C34 | 175.8° | 0.2° |
| O1 | C1 | N1 | H1 | 164.5° | 176.3° |
| N3 | C13 | C14 | H9 | 180.0° | 180.0° |
| N3 | C13 | C14 | C15 | 178.8° | 179.7° |
| C13 | C14 | C15 | N4 | 63.3° | 90.3° |
| C13 | C14 | C15 | H10 | 56.9° | 29.7° |
| C13 | C14 | C15 | H11 | 176.6° | 149.7° |
| C13 | C14 | C20 | H23 | 179.5° | 179.7° |
| C14 | C15 | N4 | C16 | 103.4° | 180.0° |
| C14 | C15 | N4 | H10 | 120.1° | 120.0° |
| C14 | C15 | N4 | H11 | 120.2° | 120.0° |
| C14 | C15 | H10 | H11 | 119.6° | 120.0° |
| C15 | C14 | C20 | H23 | 1.2° | 0.0° |
| C15 | C14 | C13 | H9 | 1.2° | 0.4° |
| C14 | C15 | N4 | H29 | 135.8° | 56.1° |
| N1 | C1 | C27 | N6 | 176.2° | 0.0° |
| N1 | C1 | C27 | C34 | 2.6° | 179.7° |
| C1 | C27 | N6 | C34 | 178.8° | 179.7° |
| C1 | C27 | N6 | C28 | 178.3° | 179.7° |
| C1 | C27 | C34 | C33 | 177.9° | 179.7° |
| C27 | C1 | N1 | H1 | 17.2° | 3.7° |
| C1 | C27 | C34 | H41 | 2.0° | 0.2° |
| C16 | N4 | C15 | H29 | 120.9° | 123.9° |
| C16 | N4 | C15 | H10 | 136.5° | 60.0° |
| C16 | N4 | C15 | H11 | 16.8° | 60.1° |
| N4 | C16 | H14 | H13 | 119.1° | 120.0° |
| N4 | C16 | C17 | H16 | 44.8° | 60.0° |
| N4 | C16 | C17 | H15 | 72.7° | 60.1° |
| N4 | C15 | H10 | H11 | 119.6° | 120.0° |
| C15 | N4 | C16 | H14 | 51.5° | 60.1° |
| C15 | N4 | C16 | H13 | 170.9° | 60.0° |
| N6 | C27 | C34 | C33 | 0.8° | 0.0° |
| C27 | N6 | C28 | C29 | 0.2° | 0.0° |
| C27 | N6 | C28 | H31 | 179.7° | 180.0° |
| N6 | C27 | C34 | H41 | 179.3° | 179.9° |
| C34 | C27 | N6 | C28 | 0.5° | 0.0° |
| C27 | C34 | C33 | H41 | 180.0° | 179.9° |
| C27 | C34 | C33 | C29 | 0.3° | 0.0° |
| C27 | C34 | C33 | H40 | 179.7° | 180.0° |
| N6 | C28 | C29 | H31 | 180.0° | 180.0° |
| N6 | C28 | C29 | C33 | 0.7° | 0.0° |
| N6 | C28 | C29 | C30 | 175.9° | 180.0° |
| C34 | C33 | C29 | C28 | 0.4° | 0.0° |
| C34 | C33 | C29 | H40 | 180.0° | 180.0° |
| C34 | C33 | C29 | C30 | 175.6° | 180.0° |
| C28 | C29 | C30 | N7 | 66.6° | 90.0° |
| C28 | C29 | C33 | C30 | 175.2° | 180.0° |
| C28 | C29 | C30 | H33 | 53.3° | 150.0° |
| C28 | C29 | C30 | H32 | 173.6° | 29.9° |
| C28 | C29 | C33 | H40 | 179.6° | 180.0° |
| C31 | N7 | C30 | H39 | 120.8° | 123.9° |
| C31 | N7 | C30 | C29 | 143.1° | 180.0° |
| N7 | C31 | C32 | H35 | 120.4° | 120.1° |
| N7 | C31 | C32 | H36 | 120.4° | 120.0° |
| N7 | C31 | C32 | O5 | 135.7° | 65.0° |
| C31 | N7 | C30 | H33 | 97.0° | 59.9° |
| C31 | N7 | C30 | H32 | 23.3° | 60.0° |
| N7 | C31 | H35 | H36 | 118.8° | 120.0° |
| N7 | C31 | C32 | H37 | 15.1° | 175.0° |
| N7 | C31 | C32 | H38 | 103.6° | 55.0° |
| N7 | C30 | C29 | C33 | 108.4° | 90.0° |
| N7 | C30 | C29 | H33 | 119.9° | 120.0° |
| N7 | C30 | C29 | H32 | 119.8° | 119.9° |
| C30 | N7 | C31 | C32 | 82.9° | 180.0° |
| N7 | C30 | H33 | H32 | 120.5° | 119.9° |
| C30 | N7 | C31 | H35 | 156.7° | 59.9° |
| C30 | N7 | C31 | H36 | 37.5° | 60.0° |
| C33 | C29 | C28 | H31 | 179.3° | 180.0° |
| C33 | C29 | C30 | H33 | 131.8° | 30.0° |
| C33 | C29 | C30 | H32 | 11.4° | 150.0° |
| C29 | C33 | C34 | H41 | 179.7° | 179.9° |
| C30 | C29 | C28 | H31 | 4.1° | 0.0° |
| C29 | C30 | H33 | H32 | 120.4° | 120.0° |
| C29 | C30 | N7 | H39 | 22.3° | 56.1° |
| C30 | C29 | C33 | H40 | 4.4° | 0.0° |
| C31 | C32 | O5 | H37 | 120.6° | 120.0° |
| C31 | C32 | O5 | H38 | 120.6° | 120.0° |
| C32 | C31 | N7 | H39 | 156.2° | 56.1° |
| C32 | C31 | H35 | H36 | 118.8° | 119.9° |
| C31 | C32 | H37 | H38 | 118.0° | 120.1° |
| C31 | C32 | O5 | H43 | 180.0° | 180.0° |
| O5 | C32 | C31 | H35 | 103.9° | 55.1° |
| O5 | C32 | C31 | H36 | 15.3° | 175.0° |
| O5 | C32 | H37 | H38 | 118.1° | 119.9° |
| H10 | C15 | N4 | H29 | 15.6° | 63.9° |
| H11 | C15 | N4 | H29 | 104.1° | 176.0° |
| H14 | C16 | C17 | H16 | 165.1° | 59.9° |
| H14 | C16 | C17 | H15 | 47.5° | 180.0° |
| H14 | C16 | N4 | H29 | 69.3° | 176.0° |
| H13 | C16 | C17 | H16 | 75.5° | 180.0° |
| H13 | C16 | C17 | H15 | 166.9° | 60.0° |
| H13 | C16 | N4 | H29 | 50.1° | 63.9° |
| H16 | C17 | C18 | H18 | 10.0° | 180.0° |
| H16 | C17 | C18 | H17 | 128.7° | 60.0° |
| H15 | C17 | C18 | H18 | 107.6° | 60.0° |
| H15 | C17 | C18 | H17 | 11.1° | 180.0° |
| H18 | C18 | N5 | H34 | 4.9° | 135.0° |
| H17 | C18 | N5 | H34 | 123.6° | 105.0° |
| H21 | C19 | H22 | H20 | 120.0° | 119.9° |
| H23 | C20 | C21 | H24 | 0.3° | 0.3° |
| H25 | C22 | C23 | H26 | 1.0° | 0.2° |
| H26 | C23 | C24 | H27 | 2.3° | 0.0° |
| H5 | C26 | H6 | H7 | 120.0° | 120.0° |
| H2 | C3 | C4 | H3 | 1.0° | 0.0° |
| H3 | C4 | C5 | H4 | 2.5° | 0.1° |
| H12 | C9 | H19 | H28 | 120.0° | 120.0° |
| H33 | C30 | N7 | H39 | 142.1° | 64.0° |
| H32 | C30 | N7 | H39 | 97.6° | 176.0° |
| H39 | N7 | C31 | H35 | 35.8° | 64.0° |
| H39 | N7 | C31 | H36 | 83.4° | 176.0° |
| H35 | C31 | C32 | H37 | 135.5° | 64.9° |
| H35 | C31 | C32 | H38 | 16.7° | 175.1° |
| H36 | C31 | C32 | H37 | 105.3° | 55.0° |
| H36 | C31 | C32 | H38 | 135.9° | 65.0° |
| H37 | C32 | O5 | H43 | 59.3° | 59.9° |
| H38 | C32 | O5 | H43 | 59.4° | 60.0° |
| H40 | C33 | C34 | H41 | 0.3° | 0.0° |
