D8C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C22 | sing | 1.47Å | 1.48Å | |
| N4 | C25 | sing | 1.47Å | 1.47Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | N3 | sing | 1.47Å | 1.46Å | |
| C24 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C16 | sing | 1.39Å | 1.41Å | |
| C16 | C17 | doub | 1.39Å | 1.43Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.54Å | |
| C17 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.36Å | 1.42Å | Aromatic |
| C12 | O3 | sing | 1.35Å | 1.39Å | |
| C12 | C13 | doub | 1.41Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| O3 | C10 | sing | 1.34Å | 1.37Å | |
| C13 | C11 | sing | 1.47Å | 1.47Å | |
| C10 | O1 | doub | 1.22Å | 1.23Å | |
| C10 | C9 | sing | 1.42Å | 1.48Å | |
| C11 | C9 | doub | 1.35Å | 1.36Å | |
| C11 | C7 | sing | 1.50Å | 1.51Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C8 | N1 | sing | 1.47Å | 1.46Å | |
| C6 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.35Å | 1.35Å | |
| C4 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | O2 | doub | 1.22Å | 1.24Å | |
| C5 | C3 | sing | 1.48Å | 1.48Å | |
| C1 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| O5 | S1 | doub | 1.42Å | 1.48Å | |
| C27 | S1 | sing | 1.81Å | 1.83Å | |
| C21 | N2 | sing | 1.39Å | 1.38Å | |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| S1 | N2 | sing | 1.66Å | 1.68Å | |
| S1 | O4 | doub | 1.42Å | 1.47Å | |
| C2 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | CL1 | sing | 1.74Å | 1.72Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | N4 | C22 | 108.7° | 111.0° |
| C26 | N4 | C25 | 106.6° | 111.0° |
| N4 | C26 | H28 | 109.5° | 109.4° |
| N4 | C26 | H29 | 109.4° | 109.5° |
| N4 | C26 | H30 | 109.4° | 109.5° |
| C22 | N4 | C25 | 111.7° | 110.9° |
| N4 | C22 | C23 | 112.9° | 109.4° |
| N4 | C22 | H4 | 108.6° | 109.5° |
| N4 | C22 | H5 | 108.6° | 109.5° |
| N4 | C25 | C24 | 111.3° | 109.4° |
| N4 | C25 | H25 | 109.0° | 109.5° |
| N4 | C25 | H26 | 109.0° | 109.6° |
| C22 | C23 | N3 | 109.8° | 109.4° |
| C23 | C22 | H4 | 108.6° | 109.5° |
| C23 | C22 | H5 | 108.6° | 109.5° |
| C22 | C23 | H21 | 109.4° | 109.5° |
| C22 | C23 | H22 | 109.4° | 109.5° |
| C25 | C24 | N3 | 109.1° | 109.3° |
| C25 | C24 | H23 | 109.6° | 109.5° |
| C25 | C24 | H24 | 109.6° | 109.5° |
| C24 | C25 | H25 | 109.0° | 109.4° |
| C24 | C25 | H26 | 109.0° | 109.4° |
| C23 | N3 | C24 | 112.6° | 110.9° |
| C23 | N3 | C16 | 116.8° | 111.0° |
| N3 | C23 | H21 | 109.4° | 109.5° |
| N3 | C23 | H22 | 109.4° | 109.4° |
| C24 | N3 | C16 | 108.9° | 111.0° |
| N3 | C24 | H23 | 109.6° | 109.5° |
| N3 | C24 | H24 | 109.5° | 109.5° |
| N3 | C16 | C17 | 124.4° | 119.7° |
| N3 | C16 | C15 | 116.4° | 119.7° |
| C17 | C16 | C15 | 119.2° | 120.5° |
| C16 | C17 | C18 | 124.9° | 120.1° |
| C16 | C17 | C12 | 119.0° | 119.7° |
| C16 | C15 | C14 | 121.3° | 120.5° |
| C16 | C15 | H6 | 119.4° | 119.8° |
| C18 | C17 | C12 | 116.1° | 120.2° |
| C17 | C18 | H1 | 109.5° | 109.5° |
| C17 | C18 | H2 | 109.4° | 109.5° |
| C17 | C18 | H3 | 109.5° | 109.5° |
| C17 | C12 | O3 | 116.4° | 120.8° |
| C17 | C12 | C13 | 121.4° | 119.5° |
| C15 | C14 | C13 | 118.9° | 119.7° |
| C14 | C15 | H6 | 119.4° | 119.8° |
| C15 | C14 | H20 | 120.6° | 120.2° |
| O3 | C12 | C13 | 122.2° | 119.7° |
| C12 | O3 | C10 | 122.5° | 121.2° |
| C12 | C13 | C14 | 120.2° | 120.1° |
| C12 | C13 | C11 | 116.7° | 119.3° |
| C14 | C13 | C11 | 123.1° | 120.6° |
| C13 | C14 | H20 | 120.6° | 120.1° |
| O3 | C10 | O1 | 123.4° | 118.9° |
| O3 | C10 | C9 | 116.6° | 122.1° |
| C13 | C11 | C9 | 119.9° | 118.1° |
| C13 | C11 | C7 | 118.7° | 118.4° |
| O1 | C10 | C9 | 120.1° | 119.0° |
| C10 | C9 | C11 | 122.2° | 119.5° |
| C10 | C9 | C8 | 111.8° | 118.0° |
| C9 | C11 | C7 | 121.4° | 123.5° |
| C11 | C9 | C8 | 126.0° | 122.4° |
| C11 | C7 | C6 | 109.5° | 110.9° |
| C11 | C7 | H18 | 109.5° | 109.2° |
| C11 | C7 | H19 | 109.5° | 109.2° |
| C9 | C8 | N1 | 108.2° | 109.8° |
| C9 | C8 | H7 | 109.8° | 109.4° |
| C9 | C8 | H8 | 109.8° | 109.4° |
| C7 | C6 | N1 | 113.2° | 107.8° |
| C7 | C6 | H12 | 108.5° | 109.8° |
| C7 | C6 | H13 | 108.5° | 109.9° |
| C6 | C7 | H18 | 109.5° | 109.2° |
| C6 | C7 | H19 | 109.5° | 109.2° |
| C8 | N1 | C6 | 114.3° | 117.3° |
| C8 | N1 | C5 | 119.5° | 121.3° |
| N1 | C8 | H7 | 109.8° | 109.4° |
| N1 | C8 | H8 | 109.8° | 109.5° |
| C6 | N1 | C5 | 126.1° | 121.4° |
| N1 | C6 | H12 | 108.5° | 109.8° |
| N1 | C6 | H13 | 108.5° | 109.8° |
| N1 | C5 | O2 | 124.0° | 120.0° |
| N1 | C5 | C3 | 118.5° | 120.0° |
| C1 | C4 | C3 | 119.8° | 120.0° |
| C4 | C1 | C21 | 119.4° | 120.0° |
| C1 | C4 | H9 | 120.1° | 120.0° |
| C4 | C1 | H11 | 120.3° | 120.0° |
| C4 | C3 | C5 | 121.8° | 120.1° |
| C4 | C3 | C2 | 120.4° | 119.9° |
| C3 | C4 | H9 | 120.1° | 120.0° |
| O2 | C5 | C3 | 117.5° | 120.0° |
| C5 | C3 | C2 | 117.8° | 120.1° |
| C1 | C21 | N2 | 123.9° | 119.9° |
| C1 | C21 | C20 | 120.2° | 120.1° |
| C21 | C1 | H11 | 120.3° | 120.0° |
| C3 | C2 | C20 | 119.3° | 120.0° |
| C3 | C2 | H10 | 120.3° | 120.0° |
| O5 | S1 | C27 | 108.4° | 110.6° |
| O5 | S1 | N2 | 109.1° | 104.3° |
| O5 | S1 | O4 | 120.5° | 121.0° |
| C27 | S1 | N2 | 98.8° | 104.4° |
| C27 | S1 | O4 | 115.0° | 110.5° |
| S1 | C27 | H14 | 109.5° | 109.4° |
| S1 | C27 | H15 | 109.5° | 109.5° |
| S1 | C27 | H16 | 109.5° | 109.5° |
| N2 | C21 | C20 | 115.9° | 119.9° |
| C21 | N2 | S1 | 124.2° | 120.0° |
| C21 | N2 | H17 | 105.7° | 120.0° |
| C21 | C20 | C2 | 120.9° | 120.0° |
| C21 | C20 | CL1 | 118.5° | 120.0° |
| N2 | S1 | O4 | 102.4° | 104.3° |
| S1 | N2 | H17 | 105.7° | 120.0° |
| C2 | C20 | CL1 | 120.6° | 120.0° |
| C20 | C2 | H10 | 120.3° | 120.0° |
| H1 | C18 | H2 | 109.5° | 109.4° |
| H1 | C18 | H3 | 109.5° | 109.5° |
| H2 | C18 | H3 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.4° | 109.4° |
| H12 | C6 | H13 | 109.5° | 109.8° |
| H14 | C27 | H15 | 109.5° | 109.4° |
| H14 | C27 | H16 | 109.5° | 109.4° |
| H15 | C27 | H16 | 109.5° | 109.5° |
| H18 | C7 | H19 | 109.5° | 109.2° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.5° | 109.4° |
| H28 | C26 | H30 | 109.4° | 109.5° |
| H29 | C26 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | N4 | C22 | C25 | 117.3° | 123.9° |
| C26 | N4 | C22 | C23 | 169.1° | 176.8° |
| C26 | N4 | C25 | C24 | 173.1° | 176.8° |
| C26 | N4 | C22 | H4 | 48.5° | 56.8° |
| C26 | N4 | C22 | H5 | 70.5° | 63.2° |
| C26 | N4 | C25 | H25 | 66.6° | 63.3° |
| C26 | N4 | C25 | H26 | 52.9° | 56.8° |
| N4 | C26 | H28 | H29 | 120.0° | 120.0° |
| N4 | C26 | H28 | H30 | 120.0° | 120.0° |
| N4 | C26 | H29 | H30 | 120.0° | 120.0° |
| N4 | C22 | C23 | H4 | 120.5° | 119.9° |
| N4 | C22 | C23 | H5 | 120.5° | 120.0° |
| C22 | N4 | C25 | C24 | 54.5° | 59.4° |
| N4 | C22 | C23 | N3 | 51.8° | 58.4° |
| N4 | C22 | H4 | H5 | 118.4° | 120.1° |
| N4 | C22 | C23 | H21 | 171.8° | 178.4° |
| N4 | C22 | C23 | H22 | 68.2° | 61.5° |
| C22 | N4 | C25 | H25 | 174.8° | 60.6° |
| C22 | N4 | C25 | H26 | 65.8° | 179.3° |
| C22 | N4 | C26 | H28 | 180.0° | 60.0° |
| C22 | N4 | C26 | H29 | 60.0° | 179.9° |
| C22 | N4 | C26 | H30 | 60.0° | 60.0° |
| C25 | N4 | C22 | C23 | 51.7° | 59.4° |
| N4 | C25 | C24 | H25 | 120.3° | 120.0° |
| N4 | C25 | C24 | H26 | 120.3° | 120.0° |
| N4 | C25 | C24 | N3 | 57.8° | 58.4° |
| C25 | N4 | C22 | H4 | 68.8° | 179.3° |
| C25 | N4 | C22 | H5 | 172.2° | 60.6° |
| N4 | C25 | C24 | H23 | 62.2° | 178.4° |
| N4 | C25 | C24 | H24 | 177.7° | 61.5° |
| N4 | C25 | H25 | H26 | 119.2° | 120.2° |
| C25 | N4 | C26 | H28 | 59.5° | 63.8° |
| C25 | N4 | C26 | H29 | 179.5° | 56.1° |
| C25 | N4 | C26 | H30 | 60.5° | 176.2° |
| C22 | C23 | N3 | H21 | 120.0° | 120.0° |
| C22 | C23 | N3 | H22 | 120.0° | 120.0° |
| C22 | C23 | N3 | C24 | 56.4° | 59.3° |
| C22 | C23 | N3 | C16 | 176.5° | 176.8° |
| C23 | C22 | H4 | H5 | 118.5° | 120.0° |
| C22 | C23 | H21 | H22 | 119.8° | 120.1° |
| C25 | C24 | N3 | C23 | 59.7° | 59.3° |
| C25 | C24 | N3 | H23 | 120.0° | 120.0° |
| C25 | C24 | N3 | H24 | 119.9° | 119.9° |
| C25 | C24 | N3 | C16 | 169.2° | 176.8° |
| C25 | C24 | H23 | H24 | 120.2° | 120.0° |
| C24 | C25 | H25 | H26 | 119.2° | 119.9° |
| C23 | N3 | C24 | C16 | 131.1° | 123.9° |
| C23 | N3 | C16 | C17 | 159.7° | 120.0° |
| C23 | N3 | C16 | C15 | 22.5° | 60.3° |
| N3 | C23 | C22 | H4 | 68.7° | 178.3° |
| N3 | C23 | C22 | H5 | 172.3° | 61.6° |
| N3 | C23 | H21 | H22 | 119.9° | 120.0° |
| C23 | N3 | C24 | H23 | 60.3° | 179.2° |
| C23 | N3 | C24 | H24 | 179.6° | 60.6° |
| C24 | N3 | C16 | C17 | 71.5° | 116.2° |
| C24 | N3 | C16 | C15 | 106.4° | 63.6° |
| C24 | N3 | C23 | H21 | 176.5° | 179.3° |
| C24 | N3 | C23 | H22 | 63.6° | 60.7° |
| N3 | C24 | H23 | H24 | 120.2° | 120.1° |
| N3 | C24 | C25 | H25 | 178.1° | 61.6° |
| N3 | C24 | C25 | H26 | 62.5° | 178.4° |
| N3 | C16 | C17 | C15 | 177.8° | 179.8° |
| N3 | C16 | C17 | C18 | 1.8° | 0.2° |
| N3 | C16 | C17 | C12 | 178.5° | 179.8° |
| N3 | C16 | C15 | C14 | 179.2° | 179.8° |
| N3 | C16 | C15 | H6 | 0.8° | 0.1° |
| C16 | N3 | C23 | H21 | 56.4° | 56.8° |
| C16 | N3 | C23 | H22 | 63.5° | 63.2° |
| C16 | N3 | C24 | H23 | 70.9° | 56.9° |
| C16 | N3 | C24 | H24 | 49.2° | 63.3° |
| C16 | C17 | C18 | C12 | 179.7° | 180.0° |
| C17 | C16 | C15 | C14 | 1.2° | 0.0° |
| C16 | C17 | C12 | O3 | 179.3° | 179.9° |
| C16 | C17 | C12 | C13 | 0.2° | 0.1° |
| C16 | C17 | C18 | H1 | 89.8° | 90.1° |
| C16 | C17 | C18 | H2 | 150.2° | 150.0° |
| C16 | C17 | C18 | H3 | 30.2° | 30.0° |
| C17 | C16 | C15 | H6 | 178.8° | 179.9° |
| C15 | C16 | C17 | C18 | 179.6° | 180.0° |
| C15 | C16 | C17 | C12 | 0.7° | 0.0° |
| C16 | C15 | C14 | H6 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.8° | 0.1° |
| C16 | C15 | C14 | H20 | 179.2° | 180.0° |
| C18 | C17 | C12 | O3 | 0.4° | 0.1° |
| C18 | C17 | C12 | C13 | 179.6° | 179.9° |
| C17 | C18 | H1 | H2 | 120.0° | 120.0° |
| C17 | C18 | H1 | H3 | 120.0° | 120.0° |
| C17 | C18 | H2 | H3 | 120.0° | 120.0° |
| C17 | C12 | O3 | C13 | 179.1° | 180.0° |
| C17 | C12 | C13 | C14 | 0.6° | 0.1° |
| C17 | C12 | O3 | C10 | 179.8° | 179.7° |
| C17 | C12 | C13 | C11 | 179.4° | 179.9° |
| C12 | C17 | C18 | H1 | 89.9° | 89.9° |
| C12 | C17 | C18 | H2 | 30.1° | 30.0° |
| C12 | C17 | C18 | H3 | 150.1° | 150.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.1° |
| C15 | C14 | C13 | H20 | 180.0° | 180.0° |
| C15 | C14 | C13 | C11 | 179.9° | 179.9° |
| O3 | C12 | C13 | C14 | 179.7° | 179.9° |
| O3 | C12 | C13 | C11 | 0.3° | 0.1° |
| C12 | O3 | C10 | O1 | 179.1° | 179.9° |
| C12 | O3 | C10 | C9 | 1.1° | 0.0° |
| C12 | C13 | C14 | C11 | 180.0° | 180.0° |
| C13 | C12 | O3 | C10 | 1.1° | 0.3° |
| C12 | C13 | C11 | C9 | 0.4° | 0.9° |
| C12 | C13 | C11 | C7 | 179.3° | 178.5° |
| C12 | C13 | C14 | H20 | 179.9° | 179.9° |
| C14 | C13 | C11 | C9 | 179.7° | 179.2° |
| C14 | C13 | C11 | C7 | 0.8° | 1.5° |
| C13 | C14 | C15 | H6 | 179.2° | 180.0° |
| O3 | C10 | O1 | C9 | 179.7° | 179.9° |
| O3 | C10 | C9 | C11 | 0.5° | 0.8° |
| O3 | C10 | C9 | C8 | 179.7° | 178.7° |
| C13 | C11 | C9 | C10 | 0.3° | 1.1° |
| C13 | C11 | C9 | C7 | 178.9° | 179.3° |
| C13 | C11 | C9 | C8 | 178.8° | 178.3° |
| C13 | C11 | C7 | C6 | 166.4° | 160.2° |
| C13 | C11 | C7 | H18 | 73.6° | 79.5° |
| C13 | C11 | C7 | H19 | 46.4° | 39.8° |
| C11 | C13 | C14 | H20 | 0.1° | 0.1° |
| O1 | C10 | C9 | C11 | 179.8° | 179.3° |
| O1 | C10 | C9 | C8 | 0.6° | 1.3° |
| C10 | C9 | C11 | C8 | 179.1° | 179.4° |
| C10 | C9 | C11 | C7 | 179.2° | 178.2° |
| C10 | C9 | C8 | N1 | 164.6° | 168.4° |
| C10 | C9 | C8 | H7 | 75.6° | 71.6° |
| C10 | C9 | C8 | H8 | 44.8° | 48.3° |
| C9 | C11 | C7 | C6 | 12.5° | 20.5° |
| C11 | C9 | C8 | N1 | 16.2° | 12.2° |
| C11 | C9 | C8 | H7 | 103.6° | 107.9° |
| C11 | C9 | C8 | H8 | 136.0° | 132.3° |
| C9 | C11 | C7 | H18 | 107.5° | 99.8° |
| C9 | C11 | C7 | H19 | 132.5° | 140.9° |
| C7 | C11 | C9 | C8 | 0.1° | 2.4° |
| C11 | C7 | C6 | H18 | 120.0° | 120.4° |
| C11 | C7 | C6 | H19 | 120.0° | 120.3° |
| C11 | C7 | C6 | N1 | 42.1° | 46.9° |
| C11 | C7 | C6 | H12 | 162.6° | 72.7° |
| C11 | C7 | C6 | H13 | 78.5° | 166.5° |
| C11 | C7 | H18 | H19 | 120.0° | 119.3° |
| C9 | C8 | N1 | H7 | 119.8° | 120.1° |
| C9 | C8 | N1 | H8 | 119.8° | 120.1° |
| C9 | C8 | N1 | C6 | 46.6° | 44.2° |
| C9 | C8 | N1 | C5 | 135.5° | 135.8° |
| C9 | C8 | H7 | H8 | 120.6° | 119.8° |
| C7 | C6 | N1 | C8 | 63.6° | 63.2° |
| C7 | C6 | N1 | H12 | 120.6° | 119.6° |
| C7 | C6 | N1 | H13 | 120.6° | 119.7° |
| C7 | C6 | N1 | C5 | 118.7° | 116.8° |
| C7 | C6 | H12 | H13 | 118.3° | 120.9° |
| C6 | C7 | H18 | H19 | 120.0° | 119.2° |
| C8 | N1 | C6 | C5 | 177.8° | 180.0° |
| C8 | N1 | C5 | O2 | 3.3° | 175.9° |
| C8 | N1 | C5 | C3 | 175.2° | 4.1° |
| N1 | C8 | H7 | H8 | 120.6° | 119.9° |
| C8 | N1 | C6 | H12 | 175.9° | 56.4° |
| C8 | N1 | C6 | H13 | 57.0° | 177.2° |
| C6 | N1 | C5 | O2 | 174.4° | 4.1° |
| C6 | N1 | C5 | C3 | 7.2° | 175.9° |
| C6 | N1 | C8 | H7 | 73.2° | 75.9° |
| C6 | N1 | C8 | H8 | 166.4° | 164.3° |
| N1 | C6 | H12 | H13 | 118.3° | 120.7° |
| N1 | C6 | C7 | H18 | 77.9° | 73.5° |
| N1 | C6 | C7 | H19 | 162.1° | 167.2° |
| N1 | C5 | C3 | C4 | 44.4° | 37.7° |
| N1 | C5 | O2 | C3 | 178.5° | 180.0° |
| N1 | C5 | C3 | C2 | 136.6° | 142.3° |
| C5 | N1 | C8 | H7 | 104.7° | 104.2° |
| C5 | N1 | C8 | H8 | 15.6° | 15.7° |
| C5 | N1 | C6 | H12 | 1.9° | 123.6° |
| C5 | N1 | C6 | H13 | 120.8° | 2.9° |
| C1 | C4 | C3 | H9 | 180.0° | 179.7° |
| C1 | C4 | C3 | C5 | 179.5° | 179.7° |
| C4 | C1 | C21 | H11 | 180.0° | 179.8° |
| C1 | C4 | C3 | C2 | 1.5° | 0.3° |
| C4 | C1 | C21 | N2 | 178.2° | 179.9° |
| C4 | C1 | C21 | C20 | 1.3° | 0.1° |
| C4 | C3 | C5 | O2 | 134.2° | 142.3° |
| C4 | C3 | C5 | C2 | 179.0° | 180.0° |
| C3 | C4 | C1 | C21 | 1.6° | 0.3° |
| C4 | C3 | C2 | C20 | 1.0° | 0.0° |
| C4 | C3 | C2 | H10 | 179.0° | 180.0° |
| C3 | C4 | C1 | H11 | 178.4° | 179.9° |
| O2 | C5 | C3 | C2 | 44.8° | 37.8° |
| C5 | C3 | C2 | C20 | 180.0° | 180.0° |
| C5 | C3 | C4 | H9 | 0.4° | 0.1° |
| C5 | C3 | C2 | H10 | 0.0° | 0.1° |
| C1 | C21 | N2 | C20 | 179.6° | 179.9° |
| C1 | C21 | N2 | S1 | 23.1° | 35.2° |
| C1 | C21 | C20 | C2 | 0.8° | 0.4° |
| C1 | C21 | C20 | CL1 | 179.4° | 180.0° |
| C21 | C1 | C4 | H9 | 178.4° | 179.9° |
| C1 | C21 | N2 | H17 | 145.1° | 144.7° |
| C3 | C2 | C20 | C21 | 0.7° | 0.3° |
| C3 | C2 | C20 | H10 | 180.0° | 180.0° |
| C3 | C2 | C20 | CL1 | 179.2° | 180.0° |
| C2 | C3 | C4 | H9 | 178.6° | 180.0° |
| O5 | S1 | C27 | N2 | 113.6° | 111.7° |
| O5 | S1 | C27 | O4 | 138.2° | 136.7° |
| O5 | S1 | N2 | C21 | 24.9° | 55.0° |
| O5 | S1 | N2 | O4 | 128.8° | 127.9° |
| O5 | S1 | C27 | H14 | 180.0° | 51.6° |
| O5 | S1 | C27 | H15 | 60.0° | 171.6° |
| O5 | S1 | C27 | H16 | 60.0° | 68.3° |
| O5 | S1 | N2 | H17 | 97.1° | 125.0° |
| C27 | S1 | N2 | C21 | 88.1° | 61.1° |
| C27 | S1 | N2 | O4 | 118.1° | 116.0° |
| S1 | C27 | H14 | H15 | 120.0° | 120.0° |
| S1 | C27 | H14 | H16 | 120.0° | 120.0° |
| S1 | C27 | H15 | H16 | 120.0° | 120.0° |
| C27 | S1 | N2 | H17 | 149.9° | 118.9° |
| C21 | N2 | S1 | H17 | 122.0° | 180.0° |
| C21 | N2 | S1 | O4 | 153.8° | 177.1° |
| N2 | C21 | C20 | C2 | 178.7° | 179.8° |
| N2 | C21 | C20 | CL1 | 0.2° | 0.1° |
| N2 | C21 | C1 | H11 | 1.8° | 0.2° |
| C20 | C21 | N2 | S1 | 157.3° | 144.6° |
| C21 | C20 | C2 | CL1 | 178.6° | 179.7° |
| C21 | C20 | C2 | H10 | 179.3° | 179.6° |
| C20 | C21 | C1 | H11 | 178.7° | 179.7° |
| C20 | C21 | N2 | H17 | 35.3° | 35.4° |
| N2 | S1 | C27 | H14 | 66.4° | 60.0° |
| N2 | S1 | C27 | H15 | 53.6° | 59.9° |
| N2 | S1 | C27 | H16 | 173.6° | 180.0° |
| O4 | S1 | C27 | H14 | 41.8° | 171.6° |
| O4 | S1 | C27 | H15 | 161.8° | 51.7° |
| O4 | S1 | C27 | H16 | 78.2° | 68.4° |
| O4 | S1 | N2 | H17 | 31.7° | 2.9° |
| CL1 | C20 | C2 | H10 | 0.8° | 0.0° |
| H1 | C18 | H2 | H3 | 120.0° | 120.0° |
| H4 | C22 | C23 | H21 | 51.3° | 61.7° |
| H4 | C22 | C23 | H22 | 171.2° | 58.4° |
| H5 | C22 | C23 | H21 | 67.7° | 58.4° |
| H5 | C22 | C23 | H22 | 52.2° | 178.5° |
| H6 | C15 | C14 | H20 | 0.8° | 0.1° |
| H9 | C4 | C1 | H11 | 1.6° | 0.3° |
| H12 | C6 | C7 | H18 | 42.6° | 166.9° |
| H12 | C6 | C7 | H19 | 77.4° | 47.7° |
| H13 | C6 | C7 | H18 | 161.5° | 46.1° |
| H13 | C6 | C7 | H19 | 41.6° | 73.2° |
| H14 | C27 | H15 | H16 | 120.0° | 120.0° |
| H23 | C24 | C25 | H25 | 58.1° | 58.4° |
| H23 | C24 | C25 | H26 | 177.6° | 61.6° |
| H24 | C24 | C25 | H25 | 62.0° | 178.5° |
| H24 | C24 | C25 | H26 | 57.4° | 58.5° |
| H28 | C26 | H29 | H30 | 120.0° | 120.0° |
