PRD_000584
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.36Å | |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C8 | doub | 1.39Å | 1.37Å | Aromatic |
| C8 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C9 | sing | 1.43Å | 1.41Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | O6 | doub | 1.21Å | 1.24Å | |
| C10 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | C11 | sing | 1.46Å | 1.44Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C19 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.35Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | O2 | sing | 1.43Å | 1.39Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | O4 | doub | 1.21Å | 1.24Å | |
| C20 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C25 | sing | 1.48Å | 1.48Å | |
| N4 | C21 | sing | 1.46Å | 1.47Å | |
| C25 | S2 | sing | 1.84Å | 1.79Å | |
| S2 | C22 | sing | 1.84Å | 1.81Å | |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | C21 | sing | 1.55Å | 1.55Å | |
| C21 | C26 | sing | 1.51Å | 1.53Å | |
| C26 | O5 | doub | 1.21Å | 1.23Å | |
| C26 | N5 | sing | 1.35Å | 1.33Å | |
| N5 | C27 | sing | 1.46Å | 1.47Å | |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C28 | C30 | sing | 1.51Å | 1.49Å | |
| C28 | C29 | doub | 1.31Å | 1.36Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H29A | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C5 | 119.5° | 120.0° |
| C6 | C7 | C8 | 122.7° | 120.0° |
| C7 | C6 | H6 | 109.5° | 109.4° |
| C7 | C6 | H6A | 109.5° | 109.4° |
| C7 | C6 | H6B | 109.5° | 109.4° |
| C5 | C7 | C8 | 117.8° | 120.0° |
| C7 | C5 | C4 | 123.2° | 120.0° |
| C7 | C5 | H5 | 118.4° | 120.0° |
| C7 | C8 | C2 | 120.8° | 120.0° |
| C7 | C8 | O1 | 117.4° | 120.0° |
| C5 | C4 | N1 | 121.9° | 120.0° |
| C5 | C4 | C3 | 116.3° | 120.0° |
| C4 | C5 | H5 | 118.4° | 120.0° |
| N1 | C4 | C3 | 121.8° | 120.0° |
| C4 | N1 | HN1 | 109.5° | 120.0° |
| C4 | N1 | HN1A | 109.5° | 120.0° |
| C4 | C3 | C2 | 123.3° | 120.0° |
| C4 | C3 | H3 | 118.4° | 120.1° |
| C3 | C2 | C1 | 121.4° | 120.0° |
| C3 | C2 | C8 | 118.6° | 120.0° |
| C2 | C3 | H3 | 118.3° | 120.0° |
| C1 | C2 | C8 | 120.0° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.4° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C8 | O1 | 121.8° | 120.0° |
| C8 | O1 | C9 | 111.8° | 117.0° |
| O1 | C9 | C10 | 109.3° | 109.5° |
| O1 | C9 | H9 | 109.5° | 109.4° |
| O1 | C9 | H9A | 109.5° | 109.4° |
| C9 | C10 | O6 | 117.4° | 120.0° |
| C9 | C10 | N3 | 118.8° | 120.0° |
| C10 | C9 | H9 | 109.5° | 109.5° |
| C10 | C9 | H9A | 109.6° | 109.5° |
| O6 | C10 | N3 | 123.8° | 120.0° |
| C10 | N3 | C11 | 122.0° | 120.0° |
| C10 | N3 | HN3 | 119.0° | 120.1° |
| N3 | C11 | C12 | 110.9° | 109.5° |
| N3 | C11 | C19 | 110.2° | 109.5° |
| C11 | N3 | HN3 | 119.0° | 120.0° |
| N3 | C11 | H11 | 108.9° | 109.5° |
| C12 | C11 | C19 | 112.2° | 109.5° |
| C11 | C12 | C13 | 111.9° | 109.5° |
| C12 | C11 | H11 | 106.8° | 109.5° |
| C11 | C12 | H12 | 108.7° | 109.5° |
| C11 | C12 | H12A | 108.7° | 109.4° |
| C11 | C19 | O2 | 109.0° | 109.5° |
| C11 | C19 | C20 | 109.7° | 109.5° |
| C19 | C11 | H11 | 107.6° | 109.4° |
| C11 | C19 | H19 | 110.4° | 109.5° |
| C12 | C13 | C14 | 121.4° | 120.0° |
| C12 | C13 | C18 | 119.6° | 120.0° |
| C13 | C12 | H12 | 108.7° | 109.5° |
| C13 | C12 | H12A | 108.7° | 109.5° |
| C14 | C13 | C18 | 118.9° | 120.0° |
| C13 | C14 | C15 | 119.8° | 120.0° |
| C13 | C14 | H14 | 120.1° | 120.0° |
| C13 | C18 | C17 | 118.7° | 120.0° |
| C13 | C18 | H18 | 120.6° | 120.0° |
| C14 | C15 | C16 | 120.7° | 120.0° |
| C15 | C14 | H14 | 120.1° | 120.0° |
| C14 | C15 | H15 | 119.7° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C16 | C15 | H15 | 119.6° | 120.0° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| C16 | C17 | C18 | 121.6° | 120.0° |
| C17 | C16 | H16 | 119.9° | 120.1° |
| C16 | C17 | H17 | 119.2° | 120.0° |
| C18 | C17 | H17 | 119.2° | 120.0° |
| C17 | C18 | H18 | 120.7° | 120.0° |
| O2 | C19 | C20 | 111.9° | 109.4° |
| O2 | C19 | H19 | 108.3° | 109.4° |
| C19 | O2 | HO2 | 109.5° | 114.0° |
| C19 | C20 | O4 | 121.1° | 120.1° |
| C19 | C20 | N4 | 118.2° | 120.0° |
| C20 | C19 | H19 | 107.5° | 109.5° |
| O4 | C20 | N4 | 120.7° | 120.0° |
| C20 | N4 | C25 | 124.6° | 122.4° |
| C20 | N4 | C21 | 119.7° | 122.4° |
| C25 | N4 | C21 | 115.7° | 115.1° |
| N4 | C25 | S2 | 106.0° | 102.6° |
| N4 | C25 | H25 | 110.6° | 110.8° |
| N4 | C25 | H25A | 110.7° | 110.8° |
| N4 | C21 | C22 | 105.3° | 113.2° |
| N4 | C21 | C26 | 109.6° | 108.7° |
| N4 | C21 | H21 | 114.5° | 108.8° |
| C25 | S2 | C22 | 90.6° | 93.9° |
| S2 | C25 | H25 | 110.7° | 110.7° |
| S2 | C25 | H25A | 110.6° | 110.8° |
| S2 | C22 | C24 | 110.4° | 111.1° |
| S2 | C22 | C23 | 110.3° | 111.0° |
| S2 | C22 | C21 | 103.8° | 101.4° |
| C24 | C22 | C23 | 110.9° | 110.9° |
| C24 | C22 | C21 | 108.4° | 111.2° |
| C22 | C24 | H24 | 109.5° | 109.5° |
| C22 | C24 | H24A | 109.5° | 109.5° |
| C22 | C24 | H24B | 109.5° | 109.4° |
| C23 | C22 | C21 | 112.8° | 110.9° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H23A | 109.5° | 109.5° |
| C22 | C23 | H23B | 109.5° | 109.5° |
| C22 | C21 | C26 | 115.7° | 108.9° |
| C22 | C21 | H21 | 108.3° | 108.6° |
| C21 | C26 | O5 | 121.7° | 120.0° |
| C21 | C26 | N5 | 114.9° | 120.0° |
| C26 | C21 | H21 | 103.8° | 108.5° |
| O5 | C26 | N5 | 123.3° | 120.0° |
| C26 | N5 | C27 | 122.8° | 120.0° |
| C26 | N5 | HN5 | 118.7° | 119.9° |
| N5 | C27 | C28 | 110.1° | 109.4° |
| C27 | N5 | HN5 | 118.6° | 120.1° |
| N5 | C27 | H27 | 109.2° | 109.4° |
| N5 | C27 | H27A | 109.3° | 109.5° |
| C27 | C28 | C30 | 116.8° | 120.0° |
| C27 | C28 | C29 | 119.1° | 120.0° |
| C28 | C27 | H27 | 109.3° | 109.4° |
| C28 | C27 | H27A | 109.2° | 109.5° |
| C30 | C28 | C29 | 124.1° | 120.0° |
| C28 | C30 | H30 | 109.5° | 109.4° |
| C28 | C30 | H30A | 109.4° | 109.5° |
| C28 | C30 | H30B | 109.4° | 109.5° |
| C28 | C29 | H29 | 120.0° | 120.0° |
| C28 | C29 | H29A | 120.0° | 120.0° |
| H6 | C6 | H6A | 109.4° | 109.6° |
| H6 | C6 | H6B | 109.5° | 109.5° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| HN1 | N1 | HN1A | 109.5° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.4° | 109.4° |
| H12 | C12 | H12A | 110.2° | 109.4° |
| H25 | C25 | H25A | 108.3° | 110.8° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.4° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H23 | C23 | H23B | 109.4° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.7° | 109.6° |
| H30 | C30 | H30A | 109.4° | 109.4° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H29 | C29 | H29A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C5 | C8 | 178.9° | 179.8° |
| C6 | C7 | C5 | C4 | 179.5° | 180.0° |
| C6 | C7 | C8 | C2 | 179.8° | 179.7° |
| C6 | C7 | C8 | O1 | 0.9° | 0.0° |
| C7 | C6 | H6 | H6A | 120.0° | 120.0° |
| C7 | C6 | H6 | H6B | 120.0° | 119.9° |
| C7 | C6 | H6A | H6B | 120.0° | 119.9° |
| C6 | C7 | C5 | H5 | 0.5° | 0.0° |
| C7 | C5 | C4 | H5 | 180.0° | 180.0° |
| C7 | C5 | C4 | N1 | 179.9° | 179.9° |
| C7 | C5 | C4 | C3 | 0.1° | 0.0° |
| C5 | C7 | C8 | C2 | 0.9° | 0.5° |
| C5 | C7 | C8 | O1 | 179.8° | 179.8° |
| C5 | C7 | C6 | H6 | 89.5° | 89.9° |
| C5 | C7 | C6 | H6A | 150.5° | 150.0° |
| C5 | C7 | C6 | H6B | 30.5° | 30.0° |
| C8 | C7 | C5 | C4 | 0.6° | 0.2° |
| C7 | C8 | C2 | C3 | 0.6° | 0.5° |
| C7 | C8 | C2 | C1 | 179.0° | 179.8° |
| C7 | C8 | C2 | O1 | 179.3° | 179.8° |
| C7 | C8 | O1 | C9 | 95.4° | 90.0° |
| C8 | C7 | C6 | H6 | 89.4° | 90.3° |
| C8 | C7 | C6 | H6A | 30.6° | 29.8° |
| C8 | C7 | C6 | H6B | 150.6° | 149.8° |
| C8 | C7 | C5 | H5 | 179.4° | 179.8° |
| C5 | C4 | N1 | C3 | 179.8° | 179.9° |
| C5 | C4 | C3 | C2 | 0.4° | 0.1° |
| C5 | C4 | N1 | HN1 | 180.0° | 0.1° |
| C5 | C4 | N1 | HN1A | 60.0° | 180.0° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| N1 | C4 | C3 | C2 | 179.8° | 180.0° |
| N1 | C4 | C5 | H5 | 0.1° | 0.1° |
| C4 | N1 | HN1 | HN1A | 120.0° | 179.9° |
| N1 | C4 | C3 | H3 | 0.2° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 179.6° | 180.0° |
| C4 | C3 | C2 | C8 | 0.1° | 0.3° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C3 | C4 | N1 | HN1 | 0.2° | 180.0° |
| C3 | C4 | N1 | HN1A | 120.2° | 0.1° |
| C3 | C2 | C1 | C8 | 179.5° | 179.7° |
| C3 | C2 | C8 | O1 | 179.9° | 179.7° |
| C3 | C2 | C1 | H1 | 89.7° | 90.0° |
| C3 | C2 | C1 | H1A | 150.3° | 150.0° |
| C3 | C2 | C1 | H1B | 30.2° | 30.1° |
| C1 | C2 | C8 | O1 | 0.3° | 0.0° |
| C1 | C2 | C3 | H3 | 0.4° | 0.1° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C2 | C8 | O1 | C9 | 84.0° | 89.7° |
| C8 | C2 | C3 | H3 | 179.9° | 179.8° |
| C8 | C2 | C1 | H1 | 89.8° | 89.7° |
| C8 | C2 | C1 | H1A | 30.2° | 30.3° |
| C8 | C2 | C1 | H1B | 150.2° | 150.3° |
| C8 | O1 | C9 | C10 | 168.0° | 180.0° |
| C8 | O1 | C9 | H9 | 72.0° | 59.9° |
| C8 | O1 | C9 | H9A | 47.9° | 59.9° |
| O1 | C9 | C10 | H9 | 120.0° | 120.0° |
| O1 | C9 | C10 | H9A | 120.0° | 120.0° |
| O1 | C9 | C10 | O6 | 164.0° | 0.1° |
| O1 | C9 | C10 | N3 | 15.9° | 180.0° |
| O1 | C9 | H9 | H9A | 120.0° | 119.9° |
| C9 | C10 | O6 | N3 | 179.8° | 179.9° |
| C9 | C10 | N3 | C11 | 177.5° | 180.0° |
| C10 | C9 | H9 | H9A | 120.1° | 120.0° |
| C9 | C10 | N3 | HN3 | 2.5° | 0.0° |
| O6 | C10 | N3 | C11 | 2.7° | 0.0° |
| O6 | C10 | C9 | H9 | 44.0° | 120.0° |
| O6 | C10 | C9 | H9A | 76.0° | 120.0° |
| O6 | C10 | N3 | HN3 | 177.3° | 180.0° |
| C10 | N3 | C11 | HN3 | 180.0° | 180.0° |
| C10 | N3 | C11 | C12 | 126.2° | 85.0° |
| C10 | N3 | C11 | C19 | 108.9° | 155.0° |
| N3 | C10 | C9 | H9 | 135.8° | 60.0° |
| N3 | C10 | C9 | H9A | 104.1° | 60.0° |
| C10 | N3 | C11 | H11 | 8.9° | 35.0° |
| N3 | C11 | C12 | C19 | 123.8° | 120.0° |
| N3 | C11 | C12 | H11 | 118.6° | 120.0° |
| N3 | C11 | C19 | H11 | 118.6° | 120.0° |
| N3 | C11 | C12 | C13 | 52.5° | 65.0° |
| N3 | C11 | C19 | O2 | 85.4° | 65.0° |
| N3 | C11 | C19 | C20 | 151.8° | 175.0° |
| N3 | C11 | C12 | H12 | 67.6° | 55.0° |
| N3 | C11 | C12 | H12A | 172.5° | 175.0° |
| N3 | C11 | C19 | H19 | 33.4° | 55.0° |
| C12 | C11 | C19 | H11 | 117.2° | 120.0° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 120.0° | 120.0° |
| C11 | C12 | C13 | C14 | 75.1° | 90.0° |
| C11 | C12 | C13 | C18 | 102.1° | 90.3° |
| C12 | C11 | C19 | O2 | 38.7° | 55.0° |
| C12 | C11 | C19 | C20 | 84.1° | 65.0° |
| C12 | C11 | N3 | HN3 | 53.9° | 95.0° |
| C11 | C12 | H12 | H12A | 119.0° | 120.0° |
| C12 | C11 | C19 | H19 | 157.6° | 175.0° |
| C19 | C11 | C12 | C13 | 176.2° | 175.0° |
| C11 | C19 | O2 | C20 | 121.5° | 120.0° |
| C11 | C19 | O2 | H19 | 120.2° | 120.0° |
| C11 | C19 | C20 | H19 | 120.2° | 120.0° |
| C11 | C19 | C20 | O4 | 89.4° | 115.0° |
| C11 | C19 | C20 | N4 | 88.0° | 65.0° |
| C19 | C11 | N3 | HN3 | 71.0° | 25.0° |
| C19 | C11 | C12 | H12 | 56.2° | 65.0° |
| C19 | C11 | C12 | H12A | 63.8° | 55.0° |
| C11 | C19 | O2 | HO2 | 108.1° | 60.0° |
| C12 | C13 | C14 | C18 | 177.1° | 179.7° |
| C12 | C13 | C14 | C15 | 175.9° | 180.0° |
| C12 | C13 | C18 | C17 | 175.1° | 179.8° |
| C13 | C12 | C11 | H11 | 66.1° | 55.0° |
| C13 | C12 | H12 | H12A | 119.0° | 120.0° |
| C12 | C13 | C14 | H14 | 4.1° | 0.1° |
| C12 | C13 | C18 | H18 | 4.9° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.2° | 0.0° |
| C14 | C13 | C18 | C17 | 2.1° | 0.6° |
| C14 | C13 | C12 | H12 | 164.9° | 30.0° |
| C14 | C13 | C12 | H12A | 45.0° | 150.0° |
| C13 | C14 | C15 | H15 | 178.8° | 179.9° |
| C14 | C13 | C18 | H18 | 177.9° | 179.7° |
| C18 | C13 | C14 | C15 | 1.2° | 0.3° |
| C13 | C18 | C17 | C16 | 0.7° | 0.5° |
| C13 | C18 | C17 | H18 | 180.0° | 179.7° |
| C18 | C13 | C12 | H12 | 17.9° | 149.7° |
| C18 | C13 | C12 | H12A | 137.9° | 29.7° |
| C18 | C13 | C14 | H14 | 178.8° | 179.8° |
| C13 | C18 | C17 | H17 | 179.3° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 2.6° | 0.0° |
| C14 | C15 | C16 | H16 | 177.4° | 179.9° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.7° | 0.2° |
| C16 | C15 | C14 | H14 | 178.8° | 179.9° |
| C15 | C16 | C17 | H17 | 178.3° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.8° |
| C17 | C16 | C15 | H15 | 177.3° | 180.0° |
| C16 | C17 | C18 | H18 | 179.3° | 179.8° |
| C18 | C17 | C16 | H16 | 178.3° | 179.8° |
| O2 | C19 | C20 | H19 | 118.8° | 120.0° |
| O2 | C19 | C20 | O4 | 31.7° | 5.0° |
| O2 | C19 | C20 | N4 | 150.9° | 175.0° |
| O2 | C19 | C11 | H11 | 155.9° | 175.0° |
| C19 | C20 | O4 | N4 | 177.3° | 180.0° |
| C19 | C20 | N4 | C25 | 4.3° | 0.0° |
| C19 | C20 | N4 | C21 | 178.9° | 179.8° |
| C20 | C19 | C11 | H11 | 33.1° | 55.0° |
| C20 | C19 | O2 | HO2 | 13.4° | 60.0° |
| O4 | C20 | N4 | C25 | 178.3° | 180.0° |
| O4 | C20 | N4 | C21 | 1.5° | 0.2° |
| O4 | C20 | C19 | H19 | 150.5° | 125.0° |
| C20 | N4 | C25 | C21 | 176.9° | 179.8° |
| C20 | N4 | C25 | S2 | 171.2° | 155.2° |
| C20 | N4 | C21 | C22 | 159.4° | 178.7° |
| C20 | N4 | C21 | C26 | 75.6° | 60.1° |
| N4 | C20 | C19 | H19 | 32.1° | 55.0° |
| C20 | N4 | C25 | H25 | 68.8° | 36.9° |
| C20 | N4 | C25 | H25A | 51.2° | 86.5° |
| C20 | N4 | C21 | H21 | 40.6° | 57.9° |
| N4 | C25 | S2 | H25 | 120.0° | 118.3° |
| N4 | C25 | S2 | H25A | 120.0° | 118.3° |
| N4 | C25 | S2 | C22 | 30.5° | 33.4° |
| C25 | N4 | C21 | C22 | 17.7° | 1.5° |
| C25 | N4 | C21 | C26 | 107.4° | 119.7° |
| N4 | C25 | H25 | H25A | 121.4° | 123.4° |
| C25 | N4 | C21 | H21 | 136.5° | 122.4° |
| C21 | N4 | C25 | S2 | 11.9° | 25.0° |
| N4 | C21 | C22 | S2 | 38.6° | 22.7° |
| N4 | C21 | C22 | C24 | 78.9° | 140.9° |
| N4 | C21 | C22 | C23 | 157.9° | 95.2° |
| N4 | C21 | C22 | C26 | 121.1° | 121.0° |
| N4 | C21 | C22 | H21 | 122.9° | 120.9° |
| N4 | C21 | C26 | H21 | 122.7° | 118.2° |
| N4 | C21 | C26 | O5 | 30.5° | 18.5° |
| N4 | C21 | C26 | N5 | 147.5° | 161.5° |
| C21 | N4 | C25 | H25 | 108.1° | 143.3° |
| C21 | N4 | C25 | H25A | 131.9° | 93.2° |
| C25 | S2 | C22 | C24 | 75.6° | 150.3° |
| C25 | S2 | C22 | C23 | 161.5° | 85.8° |
| C25 | S2 | C22 | C21 | 40.5° | 32.1° |
| S2 | C25 | H25 | H25A | 121.4° | 123.3° |
| S2 | C22 | C24 | C23 | 122.5° | 124.0° |
| S2 | C22 | C24 | C21 | 113.1° | 112.2° |
| S2 | C22 | C23 | C21 | 115.5° | 111.9° |
| S2 | C22 | C21 | C26 | 82.6° | 143.8° |
| C22 | S2 | C25 | H25 | 89.5° | 151.7° |
| C22 | S2 | C25 | H25A | 150.6° | 84.9° |
| S2 | C22 | C24 | H24 | 180.0° | 61.4° |
| S2 | C22 | C24 | H24A | 60.0° | 178.5° |
| S2 | C22 | C24 | H24B | 60.0° | 58.6° |
| S2 | C22 | C23 | H23 | 180.0° | 58.5° |
| S2 | C22 | C23 | H23A | 60.0° | 178.5° |
| S2 | C22 | C23 | H23B | 60.0° | 61.5° |
| S2 | C22 | C21 | H21 | 161.4° | 98.2° |
| C24 | C22 | C23 | C21 | 121.8° | 124.0° |
| C24 | C22 | C21 | C26 | 160.0° | 98.1° |
| C22 | C24 | H24 | H24A | 120.0° | 120.0° |
| C22 | C24 | H24 | H24B | 120.0° | 119.9° |
| C22 | C24 | H24A | H24B | 120.0° | 119.9° |
| C24 | C22 | C23 | H23 | 57.4° | 177.4° |
| C24 | C22 | C23 | H23A | 62.7° | 57.5° |
| C24 | C22 | C23 | H23B | 177.3° | 62.5° |
| C24 | C22 | C21 | H21 | 44.0° | 20.0° |
| C23 | C22 | C21 | C26 | 36.8° | 25.8° |
| C23 | C22 | C24 | H24 | 57.5° | 62.6° |
| C23 | C22 | C24 | H24A | 177.5° | 57.5° |
| C23 | C22 | C24 | H24B | 62.5° | 177.4° |
| C22 | C23 | H23 | H23A | 120.0° | 120.0° |
| C22 | C23 | H23 | H23B | 120.0° | 120.0° |
| C22 | C23 | H23A | H23B | 120.0° | 120.0° |
| C23 | C22 | C21 | H21 | 79.2° | 143.8° |
| C22 | C21 | C26 | H21 | 118.5° | 118.1° |
| C22 | C21 | C26 | O5 | 88.2° | 105.2° |
| C22 | C21 | C26 | N5 | 93.7° | 74.8° |
| C21 | C22 | C24 | H24 | 66.9° | 173.6° |
| C21 | C22 | C24 | H24A | 53.1° | 66.4° |
| C21 | C22 | C24 | H24B | 173.1° | 53.6° |
| C21 | C22 | C23 | H23 | 64.5° | 53.4° |
| C21 | C22 | C23 | H23A | 175.5° | 66.6° |
| C21 | C22 | C23 | H23B | 55.5° | 173.4° |
| C21 | C26 | O5 | N5 | 177.9° | 180.0° |
| C21 | C26 | N5 | C27 | 178.1° | 180.0° |
| C21 | C26 | N5 | HN5 | 1.9° | 0.0° |
| O5 | C26 | N5 | C27 | 0.0° | 0.0° |
| O5 | C26 | C21 | H21 | 153.3° | 136.7° |
| O5 | C26 | N5 | HN5 | 180.0° | 180.0° |
| C26 | N5 | C27 | HN5 | 180.0° | 180.0° |
| C26 | N5 | C27 | C28 | 102.7° | 180.0° |
| N5 | C26 | C21 | H21 | 24.8° | 43.3° |
| C26 | N5 | C27 | H27 | 137.3° | 60.1° |
| C26 | N5 | C27 | H27A | 17.3° | 60.0° |
| N5 | C27 | C28 | H27 | 120.0° | 119.9° |
| N5 | C27 | C28 | H27A | 120.0° | 120.0° |
| N5 | C27 | C28 | C30 | 64.7° | 85.1° |
| N5 | C27 | C28 | C29 | 115.4° | 95.0° |
| N5 | C27 | H27 | H27A | 119.7° | 120.1° |
| C27 | C28 | C30 | C29 | 179.8° | 179.9° |
| C28 | C27 | N5 | HN5 | 77.3° | 0.0° |
| C28 | C27 | H27 | H27A | 119.7° | 120.1° |
| C27 | C28 | C30 | H30 | 180.0° | 90.1° |
| C27 | C28 | C30 | H30A | 60.0° | 150.0° |
| C27 | C28 | C30 | H30B | 60.0° | 29.9° |
| C27 | C28 | C29 | H29 | 179.8° | 0.1° |
| C27 | C28 | C29 | H29A | 0.2° | 180.0° |
| C30 | C28 | C27 | H27 | 175.3° | 155.0° |
| C30 | C28 | C27 | H27A | 55.3° | 34.9° |
| C28 | C30 | H30 | H30A | 120.0° | 120.0° |
| C28 | C30 | H30 | H30B | 120.0° | 120.0° |
| C28 | C30 | H30A | H30B | 120.0° | 120.1° |
| C30 | C28 | C29 | H29 | 0.0° | 180.0° |
| C30 | C28 | C29 | H29A | 180.0° | 0.1° |
| C29 | C28 | C27 | H27 | 4.6° | 24.9° |
| C29 | C28 | C27 | H27A | 124.6° | 145.0° |
| C29 | C28 | C30 | H30 | 0.2° | 90.1° |
| C29 | C28 | C30 | H30A | 119.8° | 29.9° |
| C29 | C28 | C30 | H30B | 120.2° | 149.9° |
| C28 | C29 | H29 | H29A | 180.0° | 179.9° |
| H6 | C6 | H6A | H6B | 120.0° | 120.1° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| HN3 | N3 | C11 | H11 | 171.2° | 145.0° |
| H11 | C11 | C12 | H12 | 173.9° | 175.0° |
| H11 | C11 | C12 | H12A | 53.9° | 65.0° |
| H11 | C11 | C19 | H19 | 85.2° | 65.0° |
| H14 | C14 | C15 | H15 | 1.2° | 0.0° |
| H15 | C15 | C16 | H16 | 2.6° | 0.0° |
| H16 | C16 | C17 | H17 | 1.7° | 0.0° |
| H17 | C17 | C18 | H18 | 0.7° | 0.0° |
| H19 | C19 | O2 | HO2 | 131.7° | 180.0° |
| H24 | C24 | H24A | H24B | 120.0° | 120.1° |
| H23 | C23 | H23A | H23B | 119.9° | 120.0° |
| HN5 | N5 | C27 | H27 | 42.7° | 119.9° |
| HN5 | N5 | C27 | H27A | 162.7° | 120.0° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
