LIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| N1 | C11 | sing | 1.47Å | 1.48Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N3 | C8 | sing | 1.47Å | 1.47Å | |
| N3 | C10 | sing | 1.47Å | 1.47Å | |
| N3 | C14 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | O6 | sing | 1.34Å | 1.25Å | |
| C5 | O5 | doub | 1.21Å | 1.25Å | |
| C6 | N2 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | O7 | doub | 1.21Å | 1.25Å | |
| C7 | O8 | sing | 1.34Å | 1.25Å | |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | N2 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | N4 | sing | 1.40Å | 1.33Å | |
| C24 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | N4 | sing | 1.35Å | 1.33Å | |
| C26 | S1 | doub | 1.71Å | 1.75Å | |
| C26 | N5 | sing | 1.35Å | 1.33Å | |
| C28 | N5 | sing | 1.46Å | 1.47Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C9 | O10 | sing | 1.34Å | 1.25Å | |
| C9 | O9 | doub | 1.21Å | 1.25Å | |
| C14 | C18 | sing | 1.53Å | 1.53Å | |
| N2 | C12 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C25 | sing | 1.53Å | 1.53Å | |
| C3 | O4 | sing | 1.34Å | 1.25Å | |
| C3 | O3 | doub | 1.21Å | 1.25Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C1 | O2 | doub | 1.21Å | 1.25Å | |
| C1 | O1 | sing | 1.34Å | 1.25Å | |
| C25 | C19 | sing | 1.51Å | 1.53Å | |
| C29 | O11 | sing | 1.43Å | 1.43Å | |
| C30 | O12 | sing | 1.43Å | 1.43Å | |
| C27 | O13 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N1 | C11 | 112.3° | 111.0° |
| C4 | N1 | C2 | 109.2° | 111.0° |
| N1 | C4 | C3 | 110.7° | 109.5° |
| N1 | C4 | H4 | 109.0° | 109.4° |
| N1 | C4 | H4A | 108.8° | 109.5° |
| C11 | N1 | C2 | 110.4° | 111.0° |
| N1 | C11 | C12 | 111.5° | 109.5° |
| N1 | C11 | C25 | 110.8° | 109.4° |
| N1 | C11 | H11 | 107.1° | 109.5° |
| N1 | C2 | C1 | 108.8° | 109.5° |
| N1 | C2 | H2 | 109.7° | 109.5° |
| N1 | C2 | H2A | 109.8° | 109.5° |
| C8 | N3 | C10 | 109.7° | 111.0° |
| C8 | N3 | C14 | 113.4° | 111.0° |
| N3 | C8 | C7 | 110.5° | 109.5° |
| N3 | C8 | H8 | 109.1° | 109.5° |
| N3 | C8 | H8A | 108.9° | 109.5° |
| C10 | N3 | C14 | 107.6° | 111.0° |
| N3 | C10 | C9 | 109.4° | 109.5° |
| N3 | C10 | H10 | 109.5° | 109.5° |
| N3 | C10 | H10A | 109.5° | 109.4° |
| N3 | C14 | C13 | 112.8° | 109.5° |
| N3 | C14 | C18 | 110.5° | 109.4° |
| N3 | C14 | H14 | 106.8° | 109.5° |
| C4 | C3 | O4 | 117.2° | 120.0° |
| C4 | C3 | O3 | 117.3° | 120.0° |
| C3 | C4 | H4 | 109.1° | 109.5° |
| C3 | C4 | H4A | 108.8° | 109.5° |
| C6 | C5 | O6 | 117.2° | 120.0° |
| C6 | C5 | O5 | 117.9° | 120.0° |
| C5 | C6 | N2 | 112.8° | 109.5° |
| C5 | C6 | H6 | 108.3° | 109.4° |
| C5 | C6 | H6A | 107.6° | 109.5° |
| O6 | C5 | O5 | 124.9° | 120.0° |
| C5 | O6 | HO6 | 109.5° | 117.0° |
| C6 | N2 | C13 | 111.1° | 111.0° |
| C6 | N2 | C12 | 110.2° | 111.0° |
| N2 | C6 | H6 | 108.4° | 109.4° |
| N2 | C6 | H6A | 107.6° | 109.5° |
| C8 | C7 | O7 | 117.4° | 120.0° |
| C8 | C7 | O8 | 117.7° | 120.0° |
| C7 | C8 | H8 | 109.1° | 109.5° |
| C7 | C8 | H8A | 108.9° | 109.4° |
| O7 | C7 | O8 | 124.9° | 120.0° |
| C7 | O8 | HO8 | 109.5° | 117.0° |
| C10 | C9 | O10 | 117.4° | 120.0° |
| C10 | C9 | O9 | 116.9° | 119.9° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| C15 | C13 | C14 | 109.8° | 109.5° |
| C15 | C13 | N2 | 110.2° | 109.5° |
| C13 | C15 | C16 | 111.5° | 109.5° |
| C15 | C13 | H13 | 109.6° | 109.4° |
| C13 | C15 | H15 | 108.8° | 109.5° |
| C13 | C15 | H15A | 108.4° | 109.5° |
| C14 | C13 | N2 | 111.9° | 109.5° |
| C13 | C14 | C18 | 110.5° | 109.5° |
| C14 | C13 | H13 | 107.8° | 109.4° |
| C13 | C14 | H14 | 106.8° | 109.4° |
| C13 | N2 | C12 | 107.0° | 111.0° |
| N2 | C13 | H13 | 107.5° | 109.5° |
| C15 | C16 | C17 | 111.2° | 109.5° |
| C16 | C15 | H15 | 108.8° | 109.5° |
| C16 | C15 | H15A | 108.4° | 109.4° |
| C15 | C16 | H16 | 108.9° | 109.5° |
| C15 | C16 | H16A | 108.5° | 109.5° |
| C18 | C17 | C16 | 110.4° | 109.5° |
| C17 | C18 | C14 | 110.6° | 109.4° |
| C18 | C17 | H17 | 109.2° | 109.4° |
| C18 | C17 | H17A | 109.0° | 109.4° |
| C17 | C18 | H18 | 109.1° | 109.5° |
| C17 | C18 | H18A | 108.9° | 109.5° |
| C16 | C17 | H17 | 109.1° | 109.5° |
| C16 | C17 | H17A | 109.0° | 109.5° |
| C17 | C16 | H16 | 108.9° | 109.4° |
| C17 | C16 | H16A | 108.5° | 109.4° |
| C21 | C20 | C19 | 119.8° | 120.0° |
| C20 | C21 | C22 | 120.8° | 120.0° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C20 | C21 | H21 | 119.6° | 120.0° |
| C20 | C19 | C24 | 119.7° | 120.2° |
| C20 | C19 | C25 | 119.9° | 119.9° |
| C19 | C20 | H20 | 120.1° | 120.0° |
| C21 | C22 | C23 | 119.1° | 119.8° |
| C21 | C22 | N4 | 121.7° | 120.1° |
| C22 | C21 | H21 | 119.6° | 120.0° |
| C23 | C22 | N4 | 119.0° | 120.1° |
| C22 | C23 | C24 | 120.4° | 119.9° |
| C22 | C23 | H23 | 119.8° | 120.0° |
| C22 | N4 | C26 | 122.8° | 120.0° |
| C22 | N4 | HN4 | 118.6° | 120.0° |
| C19 | C24 | C23 | 120.2° | 120.1° |
| C24 | C19 | C25 | 120.3° | 119.9° |
| C19 | C24 | H24 | 119.9° | 120.0° |
| C23 | C24 | H24 | 119.9° | 119.9° |
| C24 | C23 | H23 | 119.8° | 120.1° |
| N4 | C26 | S1 | 120.1° | 120.0° |
| N4 | C26 | N5 | 119.8° | 120.0° |
| C26 | N4 | HN4 | 118.6° | 120.0° |
| S1 | C26 | N5 | 119.7° | 120.0° |
| C26 | N5 | C28 | 119.0° | 120.0° |
| C26 | N5 | HN5 | 120.5° | 120.0° |
| N5 | C28 | C29 | 108.7° | 109.5° |
| N5 | C28 | C30 | 105.2° | 109.5° |
| N5 | C28 | C27 | 112.8° | 109.5° |
| C28 | N5 | HN5 | 120.5° | 120.0° |
| C29 | C28 | C30 | 111.7° | 109.5° |
| C29 | C28 | C27 | 109.9° | 109.4° |
| C28 | C29 | O11 | 109.0° | 109.4° |
| C28 | C29 | H29 | 109.6° | 109.5° |
| C28 | C29 | H29A | 109.7° | 109.5° |
| C30 | C28 | C27 | 108.4° | 109.5° |
| C28 | C30 | O12 | 107.3° | 109.5° |
| C28 | C30 | H30 | 110.2° | 109.5° |
| C28 | C30 | H30A | 110.7° | 109.5° |
| C28 | C27 | O13 | 109.2° | 109.5° |
| C28 | C27 | H27 | 109.6° | 109.5° |
| C28 | C27 | H27A | 109.6° | 109.4° |
| O10 | C9 | O9 | 125.8° | 120.1° |
| C9 | O10 | HO10 | 109.5° | 117.0° |
| C18 | C14 | H14 | 109.2° | 109.5° |
| C14 | C18 | H18 | 109.1° | 109.4° |
| C14 | C18 | H18A | 108.9° | 109.5° |
| N2 | C12 | C11 | 112.4° | 109.5° |
| N2 | C12 | H12 | 108.5° | 109.5° |
| N2 | C12 | H12A | 107.8° | 109.4° |
| C12 | C11 | C25 | 109.1° | 109.5° |
| C11 | C12 | H12 | 108.5° | 109.5° |
| C11 | C12 | H12A | 107.8° | 109.5° |
| C12 | C11 | H11 | 108.8° | 109.5° |
| C11 | C25 | C19 | 110.7° | 109.5° |
| C25 | C11 | H11 | 109.5° | 109.5° |
| C11 | C25 | H25 | 109.0° | 109.5° |
| C11 | C25 | H25A | 108.8° | 109.5° |
| O4 | C3 | O3 | 125.5° | 120.0° |
| C3 | O4 | HO4 | 109.5° | 117.0° |
| C2 | C1 | O2 | 117.3° | 120.1° |
| C2 | C1 | O1 | 116.8° | 120.0° |
| C1 | C2 | H2 | 109.7° | 109.5° |
| C1 | C2 | H2A | 109.9° | 109.5° |
| O2 | C1 | O1 | 125.8° | 119.9° |
| C1 | O1 | HO1 | 109.5° | 117.0° |
| C19 | C25 | H25 | 109.1° | 109.5° |
| C19 | C25 | H25A | 108.8° | 109.4° |
| O11 | C29 | H29 | 109.6° | 109.5° |
| O11 | C29 | H29A | 109.7° | 109.5° |
| C29 | O11 | HO11 | 109.5° | 114.0° |
| O12 | C30 | H30 | 110.2° | 109.4° |
| O12 | C30 | H30A | 110.7° | 109.5° |
| C30 | O12 | HO12 | 109.5° | 114.0° |
| O13 | C27 | H27 | 109.5° | 109.5° |
| O13 | C27 | H27A | 109.6° | 109.5° |
| C27 | O13 | HO13 | 109.5° | 114.0° |
| H4 | C4 | H4A | 110.5° | 109.5° |
| H6 | C6 | H6A | 112.2° | 109.5° |
| H8 | C8 | H8A | 110.3° | 109.5° |
| H10 | C10 | H10A | 109.4° | 109.5° |
| H15 | C15 | H15A | 111.0° | 109.5° |
| H17 | C17 | H17A | 110.2° | 109.5° |
| H18 | C18 | H18A | 110.3° | 109.5° |
| H16 | C16 | H16A | 110.8° | 109.5° |
| H12 | C12 | H12A | 111.8° | 109.5° |
| H2 | C2 | H2A | 108.9° | 109.4° |
| H25 | C25 | H25A | 110.5° | 109.5° |
| H29 | C29 | H29A | 109.2° | 109.5° |
| H30 | C30 | H30A | 107.8° | 109.4° |
| H27 | C27 | H27A | 109.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N1 | C11 | C2 | 122.1° | 124.0° |
| N1 | C4 | C3 | H4 | 120.0° | 120.0° |
| N1 | C4 | C3 | H4A | 119.5° | 120.0° |
| C4 | N1 | C11 | C12 | 71.9° | 108.8° |
| C4 | N1 | C11 | C25 | 49.8° | 131.2° |
| N1 | C4 | C3 | O4 | 163.5° | 175.7° |
| N1 | C4 | C3 | O3 | 16.6° | 4.4° |
| C4 | N1 | C2 | C1 | 84.9° | 173.5° |
| N1 | C4 | H4 | H4A | 119.5° | 120.0° |
| C4 | N1 | C11 | H11 | 169.2° | 11.2° |
| C4 | N1 | C2 | H2 | 155.0° | 66.5° |
| C4 | N1 | C2 | H2A | 35.3° | 53.5° |
| C11 | N1 | C4 | C3 | 95.6° | 69.4° |
| N1 | C11 | C12 | N2 | 63.8° | 79.7° |
| N1 | C11 | C12 | C25 | 122.7° | 119.9° |
| N1 | C11 | C12 | H11 | 117.9° | 120.0° |
| N1 | C11 | C25 | H11 | 117.9° | 120.0° |
| C11 | N1 | C2 | C1 | 151.2° | 62.6° |
| N1 | C11 | C25 | C19 | 170.9° | 68.6° |
| C11 | N1 | C4 | H4 | 144.4° | 170.6° |
| C11 | N1 | C4 | H4A | 23.9° | 50.6° |
| N1 | C11 | C12 | H12 | 176.2° | 160.3° |
| N1 | C11 | C12 | H12A | 55.0° | 40.3° |
| C11 | N1 | C2 | H2 | 31.1° | 57.4° |
| C11 | N1 | C2 | H2A | 88.6° | 177.4° |
| N1 | C11 | C25 | H25 | 69.1° | 171.4° |
| N1 | C11 | C25 | H25A | 51.4° | 51.4° |
| C2 | N1 | C4 | C3 | 141.6° | 166.7° |
| C2 | N1 | C11 | C12 | 166.0° | 15.1° |
| C2 | N1 | C11 | C25 | 72.3° | 104.8° |
| N1 | C2 | C1 | H2 | 120.0° | 120.0° |
| N1 | C2 | C1 | H2A | 120.3° | 120.1° |
| N1 | C2 | C1 | O2 | 169.9° | 2.9° |
| N1 | C2 | C1 | O1 | 10.6° | 177.1° |
| C2 | N1 | C4 | H4 | 21.6° | 46.6° |
| C2 | N1 | C4 | H4A | 98.9° | 73.3° |
| C2 | N1 | C11 | H11 | 47.0° | 135.2° |
| N1 | C2 | H2 | H2A | 120.2° | 120.0° |
| C8 | N3 | C10 | C14 | 123.7° | 123.9° |
| N3 | C8 | C7 | H8 | 120.0° | 120.0° |
| N3 | C8 | C7 | H8A | 119.6° | 120.0° |
| N3 | C8 | C7 | O7 | 7.8° | 6.8° |
| N3 | C8 | C7 | O8 | 173.7° | 173.2° |
| C8 | N3 | C10 | C9 | 161.2° | 58.6° |
| C8 | N3 | C14 | C13 | 86.0° | 176.0° |
| C8 | N3 | C14 | C18 | 38.2° | 56.0° |
| N3 | C8 | H8 | H8A | 119.6° | 120.0° |
| C8 | N3 | C10 | H10 | 41.2° | 61.4° |
| C8 | N3 | C10 | H10A | 78.8° | 178.6° |
| C8 | N3 | C14 | H14 | 156.9° | 64.0° |
| C10 | N3 | C8 | C7 | 76.4° | 137.2° |
| N3 | C10 | C9 | H10 | 120.0° | 120.0° |
| N3 | C10 | C9 | H10A | 120.0° | 120.0° |
| C10 | N3 | C14 | C13 | 152.5° | 60.0° |
| N3 | C10 | C9 | O10 | 147.5° | 175.0° |
| N3 | C10 | C9 | O9 | 33.2° | 5.1° |
| C10 | N3 | C14 | C18 | 83.2° | 180.0° |
| C10 | N3 | C8 | H8 | 163.6° | 102.8° |
| C10 | N3 | C8 | H8A | 43.2° | 17.2° |
| N3 | C10 | H10 | H10A | 120.0° | 120.0° |
| C10 | N3 | C14 | H14 | 35.5° | 60.0° |
| C14 | N3 | C8 | C7 | 163.4° | 98.9° |
| C14 | N3 | C10 | C9 | 75.1° | 177.5° |
| N3 | C14 | C13 | C15 | 177.6° | 180.0° |
| N3 | C14 | C13 | C18 | 124.3° | 120.0° |
| N3 | C14 | C13 | H14 | 117.0° | 120.0° |
| N3 | C14 | C13 | N2 | 54.9° | 60.0° |
| N3 | C14 | C18 | C17 | 175.5° | 180.0° |
| N3 | C14 | C18 | H14 | 117.2° | 120.0° |
| C14 | N3 | C8 | H8 | 43.4° | 21.1° |
| C14 | N3 | C8 | H8A | 77.1° | 141.1° |
| C14 | N3 | C10 | H10 | 165.0° | 62.5° |
| C14 | N3 | C10 | H10A | 45.0° | 57.5° |
| N3 | C14 | C13 | H13 | 63.0° | 60.0° |
| N3 | C14 | C18 | H18 | 64.5° | 60.0° |
| N3 | C14 | C18 | H18A | 56.0° | 60.0° |
| C4 | C3 | O4 | O3 | 180.0° | 179.9° |
| C3 | C4 | H4 | H4A | 119.5° | 120.0° |
| C4 | C3 | O4 | HO4 | 180.0° | 175.1° |
| C6 | C5 | O6 | O5 | 179.1° | 180.0° |
| C5 | C6 | N2 | H6 | 120.0° | 119.9° |
| C5 | C6 | N2 | H6A | 118.5° | 120.0° |
| C5 | C6 | N2 | C13 | 161.9° | 165.0° |
| C5 | C6 | N2 | C12 | 79.6° | 71.0° |
| C5 | C6 | H6 | H6A | 118.6° | 120.0° |
| C6 | C5 | O6 | HO6 | 179.1° | 180.0° |
| O6 | C5 | C6 | N2 | 164.0° | 174.9° |
| O6 | C5 | C6 | H6 | 44.0° | 54.9° |
| O6 | C5 | C6 | H6A | 77.5° | 65.1° |
| O5 | C5 | C6 | N2 | 16.9° | 5.1° |
| O5 | C5 | C6 | H6 | 136.9° | 125.0° |
| O5 | C5 | C6 | H6A | 101.7° | 115.0° |
| O5 | C5 | O6 | HO6 | 0.0° | 0.1° |
| C6 | N2 | C13 | C15 | 51.8° | 78.3° |
| C6 | N2 | C13 | C14 | 70.7° | 41.8° |
| C6 | N2 | C13 | C12 | 120.4° | 124.0° |
| C6 | N2 | C12 | C11 | 78.9° | 140.2° |
| N2 | C6 | H6 | H6A | 118.6° | 120.0° |
| C6 | N2 | C13 | H13 | 171.1° | 161.8° |
| C6 | N2 | C12 | H12 | 41.1° | 20.2° |
| C6 | N2 | C12 | H12A | 162.4° | 99.8° |
| C8 | C7 | O7 | O8 | 178.4° | 179.9° |
| C7 | C8 | H8 | H8A | 119.6° | 120.0° |
| C8 | C7 | O8 | HO8 | 178.4° | 180.0° |
| O7 | C7 | C8 | H8 | 112.2° | 126.8° |
| O7 | C7 | C8 | H8A | 127.4° | 113.2° |
| O7 | C7 | O8 | HO8 | 0.0° | 0.0° |
| O8 | C7 | C8 | H8 | 66.3° | 53.2° |
| O8 | C7 | C8 | H8A | 54.1° | 66.8° |
| C10 | C9 | O10 | O9 | 179.2° | 180.0° |
| C9 | C10 | H10 | H10A | 120.0° | 120.0° |
| C10 | C9 | O10 | HO10 | 179.2° | 180.0° |
| C15 | C13 | C14 | N2 | 122.7° | 120.0° |
| C15 | C13 | C14 | H13 | 119.3° | 120.0° |
| C15 | C13 | N2 | H13 | 119.3° | 120.0° |
| C13 | C15 | C16 | H15 | 120.0° | 120.0° |
| C13 | C15 | C16 | H15A | 119.2° | 120.0° |
| C13 | C15 | C16 | C17 | 55.6° | 60.0° |
| C15 | C13 | C14 | C18 | 58.1° | 60.0° |
| C15 | C13 | N2 | C12 | 68.6° | 45.7° |
| C13 | C15 | H15 | H15A | 119.2° | 120.0° |
| C15 | C13 | C14 | H14 | 60.6° | 60.0° |
| C13 | C15 | C16 | H16 | 64.4° | 60.0° |
| C13 | C15 | C16 | H16A | 174.9° | 180.0° |
| C14 | C13 | N2 | H13 | 118.2° | 120.0° |
| C14 | C13 | C15 | C16 | 56.6° | 60.0° |
| C13 | C14 | C18 | C17 | 58.9° | 60.0° |
| C13 | C14 | C18 | H14 | 117.3° | 120.0° |
| C14 | C13 | N2 | C12 | 168.9° | 165.8° |
| C14 | C13 | C15 | H15 | 176.6° | 180.0° |
| C14 | C13 | C15 | H15A | 62.6° | 60.0° |
| C13 | C14 | C18 | H18 | 61.0° | 60.0° |
| C13 | C14 | C18 | H18A | 178.5° | 180.0° |
| N2 | C13 | C15 | C16 | 179.7° | 180.0° |
| N2 | C13 | C14 | C18 | 179.2° | 180.0° |
| C13 | N2 | C12 | C11 | 160.2° | 95.8° |
| C13 | N2 | C6 | H6 | 78.1° | 75.1° |
| C13 | N2 | C6 | H6A | 43.4° | 45.0° |
| N2 | C13 | C15 | H15 | 59.7° | 60.0° |
| N2 | C13 | C15 | H15A | 61.1° | 60.1° |
| N2 | C13 | C14 | H14 | 62.1° | 60.0° |
| C13 | N2 | C12 | H12 | 79.8° | 144.2° |
| C13 | N2 | C12 | H12A | 41.5° | 24.2° |
| C15 | C16 | C17 | C18 | 55.4° | 60.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 119.3° | 120.0° |
| C16 | C15 | C13 | H13 | 61.7° | 60.0° |
| C16 | C15 | H15 | H15A | 119.2° | 120.0° |
| C15 | C16 | C17 | H17 | 64.6° | 60.0° |
| C15 | C16 | C17 | H17A | 175.1° | 180.0° |
| C15 | C16 | H16 | H16A | 119.3° | 120.0° |
| C18 | C17 | C16 | H17 | 120.0° | 120.0° |
| C18 | C17 | C16 | H17A | 119.6° | 120.0° |
| C17 | C18 | C14 | H18 | 120.0° | 120.0° |
| C17 | C18 | C14 | H18A | 119.5° | 120.0° |
| C18 | C17 | H17 | H17A | 119.6° | 119.9° |
| C17 | C18 | C14 | H14 | 58.3° | 60.0° |
| C17 | C18 | H18 | H18A | 119.5° | 120.0° |
| C18 | C17 | C16 | H16 | 64.6° | 60.0° |
| C18 | C17 | C16 | H16A | 174.7° | 180.0° |
| C16 | C17 | C18 | C14 | 57.1° | 60.0° |
| C17 | C16 | C15 | H15 | 175.6° | 180.0° |
| C17 | C16 | C15 | H15A | 63.6° | 60.0° |
| C16 | C17 | H17 | H17A | 119.6° | 120.1° |
| C16 | C17 | C18 | H18 | 62.9° | 60.0° |
| C16 | C17 | C18 | H18A | 176.7° | 180.0° |
| C17 | C16 | H16 | H16A | 119.3° | 119.9° |
| C21 | C20 | C19 | H20 | 180.0° | 179.6° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C21 | C22 | N4 | 175.6° | 179.9° |
| C21 | C20 | C19 | C24 | 1.2° | 0.1° |
| C21 | C20 | C19 | C25 | 175.7° | 180.0° |
| C19 | C20 | C21 | C22 | 0.9° | 0.1° |
| C20 | C19 | C24 | C25 | 176.9° | 180.0° |
| C20 | C19 | C24 | C23 | 0.2° | 0.0° |
| C20 | C19 | C25 | C11 | 65.3° | 82.1° |
| C19 | C20 | C21 | H21 | 179.0° | 180.0° |
| C20 | C19 | C24 | H24 | 179.8° | 180.0° |
| C20 | C19 | C25 | H25 | 174.7° | 37.9° |
| C20 | C19 | C25 | H25A | 54.1° | 157.9° |
| C21 | C22 | C23 | N4 | 175.4° | 180.0° |
| C21 | C22 | C23 | C24 | 1.3° | 0.0° |
| C21 | C22 | N4 | C26 | 8.8° | 63.3° |
| C22 | C21 | C20 | H20 | 179.1° | 179.7° |
| C21 | C22 | C23 | H23 | 178.7° | 180.0° |
| C21 | C22 | N4 | HN4 | 171.1° | 116.7° |
| C22 | C23 | C24 | C19 | 1.1° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C23 | C22 | N4 | C26 | 175.9° | 116.7° |
| C23 | C22 | C21 | H21 | 179.7° | 180.0° |
| C22 | C23 | C24 | H24 | 178.9° | 180.0° |
| C23 | C22 | N4 | HN4 | 4.1° | 63.3° |
| N4 | C22 | C23 | C24 | 176.7° | 180.0° |
| C22 | N4 | C26 | HN4 | 180.0° | 179.9° |
| C22 | N4 | C26 | S1 | 10.3° | 5.0° |
| C22 | N4 | C26 | N5 | 177.5° | 175.1° |
| N4 | C22 | C21 | H21 | 4.5° | 0.0° |
| N4 | C22 | C23 | H23 | 3.3° | 0.0° |
| C19 | C24 | C23 | H24 | 180.0° | 180.0° |
| C24 | C19 | C25 | C11 | 117.8° | 97.8° |
| C24 | C19 | C20 | H20 | 178.8° | 179.7° |
| C24 | C19 | C25 | H25 | 2.2° | 142.1° |
| C24 | C19 | C25 | H25A | 122.7° | 22.2° |
| C19 | C24 | C23 | H23 | 178.9° | 180.0° |
| C23 | C24 | C19 | C25 | 176.7° | 180.0° |
| N4 | C26 | S1 | N5 | 172.2° | 179.9° |
| N4 | C26 | N5 | C28 | 177.7° | 176.8° |
| N4 | C26 | N5 | HN5 | 2.3° | 3.3° |
| S1 | C26 | N5 | C28 | 5.5° | 3.1° |
| S1 | C26 | N4 | HN4 | 169.8° | 175.1° |
| S1 | C26 | N5 | HN5 | 174.5° | 176.8° |
| C26 | N5 | C28 | HN5 | 180.0° | 179.9° |
| C26 | N5 | C28 | C29 | 45.6° | 59.2° |
| C26 | N5 | C28 | C30 | 74.2° | 60.8° |
| C26 | N5 | C28 | C27 | 167.8° | 179.2° |
| N5 | C26 | N4 | HN4 | 2.4° | 4.8° |
| N5 | C28 | C29 | C30 | 115.6° | 120.0° |
| N5 | C28 | C29 | C27 | 124.0° | 120.0° |
| N5 | C28 | C30 | C27 | 121.0° | 120.0° |
| N5 | C28 | C29 | O11 | 14.6° | 53.6° |
| N5 | C28 | C30 | O12 | 43.8° | 62.9° |
| N5 | C28 | C27 | O13 | 179.9° | 180.0° |
| N5 | C28 | C29 | H29 | 134.6° | 66.3° |
| N5 | C28 | C29 | H29A | 105.6° | 173.7° |
| N5 | C28 | C30 | H30 | 76.2° | 177.1° |
| N5 | C28 | C30 | H30A | 164.6° | 57.1° |
| N5 | C28 | C27 | H27 | 60.1° | 60.0° |
| N5 | C28 | C27 | H27A | 59.8° | 59.9° |
| C29 | C28 | C30 | C27 | 121.3° | 119.9° |
| C28 | C29 | O11 | H29 | 120.0° | 120.0° |
| C28 | C29 | O11 | H29A | 120.2° | 120.0° |
| C29 | C28 | C30 | O12 | 161.5° | 177.1° |
| C29 | C28 | C27 | O13 | 58.6° | 59.9° |
| C29 | C28 | N5 | HN5 | 134.4° | 120.9° |
| C28 | C29 | H29 | H29A | 120.2° | 120.0° |
| C28 | C29 | O11 | HO11 | 30.4° | 180.0° |
| C29 | C28 | C30 | H30 | 41.5° | 57.1° |
| C29 | C28 | C30 | H30A | 77.6° | 62.9° |
| C29 | C28 | C27 | H27 | 61.4° | 180.0° |
| C29 | C28 | C27 | H27A | 178.7° | 60.1° |
| C30 | C28 | C29 | O11 | 130.2° | 173.6° |
| C28 | C30 | O12 | H30 | 120.0° | 120.0° |
| C28 | C30 | O12 | H30A | 120.8° | 120.1° |
| C30 | C28 | C27 | O13 | 63.7° | 60.0° |
| C30 | C28 | N5 | HN5 | 105.8° | 119.1° |
| C30 | C28 | C29 | H29 | 109.8° | 53.7° |
| C30 | C28 | C29 | H29A | 10.0° | 66.3° |
| C28 | C30 | H30 | H30A | 120.9° | 120.0° |
| C28 | C30 | O12 | HO12 | 162.6° | 180.0° |
| C30 | C28 | C27 | H27 | 176.3° | 60.1° |
| C30 | C28 | C27 | H27A | 56.4° | 180.0° |
| C27 | C28 | C29 | O11 | 109.4° | 66.4° |
| C27 | C28 | C30 | O12 | 77.2° | 57.1° |
| C28 | C27 | O13 | H27 | 120.0° | 120.1° |
| C28 | C27 | O13 | H27A | 120.1° | 120.0° |
| C27 | C28 | N5 | HN5 | 12.2° | 0.9° |
| C27 | C28 | C29 | H29 | 10.6° | 173.6° |
| C27 | C28 | C29 | H29A | 130.5° | 53.6° |
| C27 | C28 | C30 | H30 | 162.8° | 62.8° |
| C27 | C28 | C30 | H30A | 43.7° | 177.2° |
| C28 | C27 | H27 | H27A | 120.1° | 119.9° |
| C28 | C27 | O13 | HO13 | 26.3° | 180.0° |
| O10 | C9 | C10 | H10 | 92.5° | 65.0° |
| O10 | C9 | C10 | H10A | 27.5° | 55.0° |
| O9 | C9 | C10 | H10 | 86.8° | 114.9° |
| O9 | C9 | C10 | H10A | 153.2° | 125.1° |
| O9 | C9 | O10 | HO10 | 0.0° | 0.0° |
| C18 | C14 | C13 | H13 | 61.2° | 60.0° |
| C14 | C18 | C17 | H17 | 62.9° | 60.0° |
| C14 | C18 | C17 | H17A | 176.7° | 180.0° |
| C14 | C18 | H18 | H18A | 119.6° | 120.0° |
| N2 | C12 | C11 | H12 | 120.0° | 120.0° |
| N2 | C12 | C11 | H12A | 118.7° | 120.0° |
| N2 | C12 | C11 | C25 | 173.6° | 160.4° |
| C12 | N2 | C6 | H6 | 40.3° | 48.9° |
| C12 | N2 | C6 | H6A | 161.9° | 169.0° |
| C12 | N2 | C13 | H13 | 50.7° | 74.2° |
| N2 | C12 | H12 | H12A | 118.8° | 119.9° |
| N2 | C12 | C11 | H11 | 54.1° | 40.3° |
| C12 | C11 | C25 | H11 | 119.0° | 120.1° |
| C12 | C11 | C25 | C19 | 66.0° | 171.5° |
| C11 | C12 | H12 | H12A | 118.8° | 120.1° |
| C12 | C11 | C25 | H25 | 54.0° | 51.5° |
| C12 | C11 | C25 | H25A | 174.5° | 68.5° |
| C11 | C25 | C19 | H25 | 120.0° | 120.0° |
| C11 | C25 | C19 | H25A | 119.5° | 120.0° |
| C25 | C11 | C12 | H12 | 53.6° | 40.4° |
| C25 | C11 | C12 | H12A | 67.7° | 79.7° |
| C11 | C25 | H25 | H25A | 119.5° | 120.0° |
| O4 | C3 | C4 | H4 | 76.5° | 64.3° |
| O4 | C3 | C4 | H4A | 44.0° | 55.7° |
| O3 | C3 | C4 | H4 | 103.4° | 115.6° |
| O3 | C3 | C4 | H4A | 136.0° | 124.4° |
| O3 | C3 | O4 | HO4 | 0.0° | 5.0° |
| C2 | C1 | O2 | O1 | 179.5° | 180.0° |
| C1 | C2 | H2 | H2A | 120.3° | 120.0° |
| C2 | C1 | O1 | HO1 | 179.5° | 175.0° |
| O2 | C1 | C2 | H2 | 70.1° | 122.9° |
| O2 | C1 | C2 | H2A | 49.6° | 117.1° |
| O2 | C1 | O1 | HO1 | 0.0° | 5.0° |
| O1 | C1 | C2 | H2 | 109.5° | 57.1° |
| O1 | C1 | C2 | H2A | 130.8° | 62.9° |
| C25 | C19 | C20 | H20 | 4.3° | 0.3° |
| C25 | C19 | C24 | H24 | 3.3° | 0.0° |
| C19 | C25 | C11 | H11 | 53.0° | 51.4° |
| C19 | C25 | H25 | H25A | 119.5° | 120.0° |
| O11 | C29 | H29 | H29A | 120.2° | 120.0° |
| O12 | C30 | H30 | H30A | 120.9° | 120.0° |
| O13 | C27 | H27 | H27A | 120.1° | 120.0° |
| H13 | C13 | C15 | H15 | 58.3° | 60.0° |
| H13 | C13 | C15 | H15A | 179.2° | 179.9° |
| H13 | C13 | C14 | H14 | 180.0° | 180.0° |
| H15 | C15 | C16 | H16 | 55.6° | 60.0° |
| H15 | C15 | C16 | H16A | 65.1° | 60.0° |
| H15A | C15 | C16 | H16 | 176.4° | 180.0° |
| H15A | C15 | C16 | H16A | 55.7° | 60.0° |
| H17 | C17 | C18 | H18 | 177.1° | 180.0° |
| H17 | C17 | C18 | H18A | 56.7° | 60.0° |
| H17 | C17 | C16 | H16 | 175.4° | 180.0° |
| H17 | C17 | C16 | H16A | 54.7° | 60.1° |
| H17A | C17 | C18 | H18 | 56.7° | 60.1° |
| H17A | C17 | C18 | H18A | 63.7° | 60.0° |
| H17A | C17 | C16 | H16 | 55.1° | 60.0° |
| H17A | C17 | C16 | H16A | 65.7° | 60.0° |
| H20 | C20 | C21 | H21 | 1.0° | 0.4° |
| H24 | C24 | C23 | H23 | 1.1° | 0.0° |
| H14 | C14 | C18 | H18 | 178.3° | 180.0° |
| H14 | C14 | C18 | H18A | 61.2° | 60.0° |
| H12 | C12 | C11 | H11 | 65.9° | 79.7° |
| H12A | C12 | C11 | H11 | 172.8° | 160.3° |
| H11 | C11 | C25 | H25 | 173.0° | 68.6° |
| H11 | C11 | C25 | H25A | 66.4° | 171.4° |
| H29 | C29 | O11 | HO11 | 89.6° | 60.0° |
| H29A | C29 | O11 | HO11 | 150.6° | 60.0° |
| H30 | C30 | O12 | HO12 | 42.6° | 60.0° |
| H30A | C30 | O12 | HO12 | 76.5° | 59.9° |
| H27 | C27 | O13 | HO13 | 93.7° | 60.0° |
| H27A | C27 | O13 | HO13 | 146.4° | 60.0° |
