PRD_000309
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 0.00Å | |
| C1 | O2 | sing | 1.35Å | 0.00Å | |
| O2 | C2 | sing | 1.45Å | 0.00Å | |
| C2 | C3 | sing | 1.51Å | 0.00Å | |
| C2 | H1 | sing | 1.09Å | 0.00Å | |
| C2 | H2 | sing | 1.09Å | 0.00Å | |
| C3 | C4 | doub | 1.38Å | 0.00Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | H3 | sing | 1.08Å | 0.00Å | |
| C5 | C6 | doub | 1.38Å | 0.00Å | Aromatic |
| C5 | H4 | sing | 1.08Å | 0.00Å | |
| C6 | C7 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | H5 | sing | 1.08Å | 0.00Å | |
| C7 | C8 | doub | 1.38Å | 0.00Å | Aromatic |
| C7 | H6 | sing | 1.08Å | 0.00Å | |
| C8 | H7 | sing | 1.08Å | 0.00Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | C11 | sing | 1.53Å | 1.51Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.24Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| N2 | C15 | sing | 1.47Å | 1.47Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | O4 | doub | 1.21Å | 1.23Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| N3 | C24 | sing | 1.46Å | 1.49Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | O5 | doub | 1.22Å | 1.23Å | |
| C26 | N4 | doub | 1.25Å | 11.61Å | |
| N4 | N5 | doub | 1.12Å | 0.00Å | |
| C26 | H31 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 9.00Å | |
| C25 | C26 | sing | 1.39Å | 1.52Å | |
| C10 | N2 | sing | 1.35Å | 1.36Å | |
| C16 | N3 | sing | 1.35Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 90.0° | 120.0° |
| O1 | C1 | N1 | 90.0° | 120.0° |
| C1 | O2 | C2 | 90.0° | 117.0° |
| O2 | C1 | N1 | 90.0° | 120.0° |
| O2 | C2 | C3 | 90.0° | 109.4° |
| O2 | C2 | H1 | 90.0° | 109.5° |
| O2 | C2 | H2 | 90.0° | 109.4° |
| C3 | C2 | H1 | 90.0° | 109.5° |
| C3 | C2 | H2 | 90.0° | 109.5° |
| C2 | C3 | C4 | 90.0° | 120.0° |
| C2 | C3 | C8 | 90.0° | 120.0° |
| H1 | C2 | H2 | 90.0° | 109.5° |
| C4 | C3 | C8 | 90.0° | 120.0° |
| C3 | C4 | C5 | 90.0° | 120.0° |
| C3 | C4 | H3 | 90.0° | 120.0° |
| C3 | C8 | C7 | 90.0° | 120.0° |
| C3 | C8 | H7 | 90.0° | 120.0° |
| C5 | C4 | H3 | 90.0° | 120.0° |
| C4 | C5 | C6 | 90.0° | 120.0° |
| C4 | C5 | H4 | 90.0° | 120.0° |
| C6 | C5 | H4 | 90.0° | 120.0° |
| C5 | C6 | C7 | 90.0° | 120.0° |
| C5 | C6 | H5 | 90.0° | 120.0° |
| C7 | C6 | H5 | 90.0° | 120.0° |
| C6 | C7 | C8 | 90.0° | 120.0° |
| C6 | C7 | H6 | 90.0° | 120.0° |
| C8 | C7 | H6 | 90.0° | 120.0° |
| C7 | C8 | H7 | 90.0° | 119.9° |
| C9 | N1 | H8 | 149.3° | 120.0° |
| N1 | C9 | C10 | 114.1° | 109.5° |
| N1 | C9 | C11 | 111.8° | 109.5° |
| N1 | C9 | H9 | 107.1° | 109.4° |
| C9 | N1 | C1 | 61.4° | 120.0° |
| H8 | N1 | C1 | 149.3° | 120.0° |
| C10 | C9 | C11 | 110.4° | 109.5° |
| C10 | C9 | H9 | 106.3° | 109.5° |
| C9 | C10 | O3 | 118.1° | 120.0° |
| C9 | C10 | N2 | 119.4° | 120.0° |
| C11 | C9 | H9 | 106.5° | 109.4° |
| C9 | C11 | C12 | 117.3° | 109.5° |
| C9 | C11 | H10 | 107.5° | 109.4° |
| C9 | C11 | H11 | 107.5° | 109.4° |
| O3 | C10 | N2 | 122.6° | 120.0° |
| C12 | C11 | H10 | 107.5° | 109.5° |
| C12 | C11 | H11 | 107.4° | 109.5° |
| C11 | C12 | C13 | 109.0° | 109.5° |
| C11 | C12 | C14 | 109.9° | 109.5° |
| C11 | C12 | H12 | 109.0° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| C13 | C12 | C14 | 111.5° | 109.5° |
| C13 | C12 | H12 | 108.7° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H14 | 109.5° | 109.5° |
| C12 | C13 | H15 | 109.5° | 109.5° |
| C14 | C12 | H12 | 108.7° | 109.4° |
| C12 | C14 | H16 | 109.5° | 109.5° |
| C12 | C14 | H17 | 109.4° | 109.5° |
| C12 | C14 | H18 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H15 | 109.4° | 109.4° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.4° |
| H16 | C14 | H18 | 109.4° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| C15 | N2 | H19 | 119.6° | 120.0° |
| N2 | C15 | C16 | 111.5° | 109.4° |
| N2 | C15 | C17 | 113.0° | 109.5° |
| N2 | C15 | H20 | 109.4° | 109.4° |
| C15 | N2 | C10 | 120.8° | 120.0° |
| H19 | N2 | C10 | 119.6° | 120.0° |
| C16 | C15 | C17 | 105.6° | 109.5° |
| C16 | C15 | H20 | 108.7° | 109.5° |
| C15 | C16 | O4 | 116.7° | 120.0° |
| C15 | C16 | N3 | 119.0° | 120.0° |
| C17 | C15 | H20 | 108.5° | 109.5° |
| C15 | C17 | C18 | 112.6° | 109.5° |
| C15 | C17 | H21 | 108.7° | 109.5° |
| C15 | C17 | H22 | 108.7° | 109.4° |
| O4 | C16 | N3 | 124.3° | 120.0° |
| C18 | C17 | H21 | 108.7° | 109.5° |
| C18 | C17 | H22 | 108.7° | 109.5° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C17 | C18 | C20 | 119.1° | 120.0° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| C19 | C18 | C20 | 120.6° | 120.0° |
| C18 | C19 | C21 | 118.4° | 119.9° |
| C18 | C19 | H23 | 120.8° | 120.0° |
| C18 | C20 | C22 | 121.0° | 120.0° |
| C18 | C20 | H24 | 119.5° | 120.0° |
| C21 | C19 | H23 | 120.8° | 120.0° |
| C19 | C21 | C23 | 121.8° | 120.0° |
| C19 | C21 | H25 | 119.1° | 120.0° |
| C22 | C20 | H24 | 119.5° | 120.0° |
| C20 | C22 | C23 | 119.1° | 120.0° |
| C20 | C22 | H26 | 120.5° | 120.0° |
| C23 | C21 | H25 | 119.1° | 120.0° |
| C21 | C23 | C22 | 119.3° | 120.0° |
| C21 | C23 | H27 | 120.3° | 120.0° |
| C23 | C22 | H26 | 120.5° | 120.0° |
| C22 | C23 | H27 | 120.4° | 120.0° |
| C24 | N3 | H28 | 117.0° | 120.0° |
| N3 | C24 | C25 | 112.3° | 109.5° |
| N3 | C24 | H29 | 108.8° | 109.5° |
| N3 | C24 | H30 | 108.8° | 109.5° |
| C24 | N3 | C16 | 126.0° | 120.0° |
| H28 | N3 | C16 | 117.0° | 120.0° |
| C25 | C24 | H29 | 108.8° | 109.4° |
| C25 | C24 | H30 | 108.7° | 109.5° |
| C24 | C25 | O5 | 127.3° | 120.0° |
| C24 | C25 | C26 | 118.4° | 120.0° |
| H29 | C24 | H30 | 109.5° | 109.4° |
| O5 | C25 | C26 | 114.3° | 120.0° |
| C26 | N4 | N5 | 90.0° | 179.9° |
| N4 | C26 | H31 | 137.0° | 120.0° |
| N4 | C26 | C25 | 86.1° | 120.0° |
| H31 | C26 | C25 | 136.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 90.0° | 179.6° |
| O1 | C1 | O2 | C2 | 90.0° | 0.1° |
| O1 | C1 | N1 | C9 | 90.0° | 0.1° |
| O1 | C1 | N1 | H8 | 90.0° | 180.0° |
| C1 | O2 | C2 | C3 | 90.0° | 180.0° |
| C1 | O2 | C2 | H1 | 90.0° | 60.0° |
| C1 | O2 | C2 | H2 | 90.0° | 60.0° |
| O2 | C1 | N1 | C9 | 90.0° | 179.7° |
| O2 | C1 | N1 | H8 | 90.0° | 0.3° |
| O2 | C2 | C3 | H1 | 90.0° | 120.0° |
| O2 | C2 | C3 | H2 | 90.0° | 119.9° |
| O2 | C2 | H1 | H2 | 90.0° | 120.0° |
| O2 | C2 | C3 | C4 | 90.0° | 90.0° |
| O2 | C2 | C3 | C8 | 90.0° | 90.2° |
| C2 | O2 | C1 | N1 | 90.0° | 179.7° |
| C3 | C2 | H1 | H2 | 90.0° | 120.0° |
| C2 | C3 | C4 | C8 | 90.0° | 179.8° |
| C2 | C3 | C4 | C5 | 90.0° | 180.0° |
| C2 | C3 | C4 | H3 | 90.0° | 0.0° |
| C2 | C3 | C8 | C7 | 90.0° | 179.8° |
| C2 | C3 | C8 | H7 | 90.0° | 0.0° |
| H1 | C2 | C3 | C4 | 90.0° | 30.0° |
| H1 | C2 | C3 | C8 | 90.0° | 149.7° |
| H2 | C2 | C3 | C4 | 90.0° | 150.0° |
| H2 | C2 | C3 | C8 | 90.0° | 29.7° |
| C3 | C4 | C5 | H3 | 90.0° | 180.0° |
| C3 | C4 | C5 | C6 | 90.0° | 0.0° |
| C3 | C4 | C5 | H4 | 90.0° | 180.0° |
| C4 | C3 | C8 | C7 | 90.0° | 0.4° |
| C4 | C3 | C8 | H7 | 90.0° | 179.7° |
| C8 | C3 | C4 | C5 | 90.0° | 0.2° |
| C8 | C3 | C4 | H3 | 90.0° | 179.8° |
| C3 | C8 | C7 | C6 | 90.0° | 0.4° |
| C3 | C8 | C7 | H7 | 90.0° | 179.8° |
| C3 | C8 | C7 | H6 | 90.0° | 179.7° |
| C4 | C5 | C6 | H4 | 90.0° | 180.0° |
| C4 | C5 | C6 | C7 | 90.0° | 0.0° |
| C4 | C5 | C6 | H5 | 90.0° | 180.0° |
| H3 | C4 | C5 | C6 | 90.0° | 180.0° |
| H3 | C4 | C5 | H4 | 90.0° | 0.0° |
| C5 | C6 | C7 | H5 | 90.0° | 180.0° |
| C5 | C6 | C7 | C8 | 90.0° | 0.2° |
| C5 | C6 | C7 | H6 | 90.0° | 180.0° |
| H4 | C5 | C6 | C7 | 90.0° | 180.0° |
| H4 | C5 | C6 | H5 | 90.0° | 0.1° |
| C6 | C7 | C8 | H6 | 90.0° | 179.8° |
| C6 | C7 | C8 | H7 | 90.0° | 179.8° |
| H5 | C6 | C7 | C8 | 90.0° | 179.8° |
| H5 | C6 | C7 | H6 | 90.0° | 0.0° |
| H6 | C7 | C8 | H7 | 90.0° | 0.1° |
| C9 | N1 | H8 | C1 | 180.0° | 179.9° |
| N1 | C9 | C10 | C11 | 127.0° | 120.0° |
| N1 | C9 | C10 | H9 | 117.9° | 120.0° |
| N1 | C9 | C11 | H9 | 116.7° | 119.9° |
| N1 | C9 | C10 | O3 | 40.8° | 0.1° |
| N1 | C9 | C11 | C12 | 140.4° | 65.0° |
| N1 | C9 | C11 | H10 | 19.3° | 55.0° |
| N1 | C9 | C11 | H11 | 98.5° | 175.0° |
| N1 | C9 | C10 | N2 | 140.6° | 180.0° |
| H8 | N1 | C9 | C10 | 80.2° | 25.0° |
| H8 | N1 | C9 | C11 | 153.5° | 95.0° |
| H8 | N1 | C9 | H9 | 37.2° | 145.1° |
| C10 | C9 | C11 | H9 | 115.0° | 120.1° |
| C9 | C10 | O3 | N2 | 178.5° | 179.9° |
| C10 | C9 | C11 | C12 | 91.3° | 175.0° |
| C10 | C9 | C11 | H10 | 147.5° | 65.0° |
| C10 | C9 | C11 | H11 | 29.8° | 55.0° |
| C9 | C10 | N2 | C15 | 160.6° | 180.0° |
| C9 | C10 | N2 | H19 | 19.3° | 0.1° |
| C10 | C9 | N1 | C1 | 99.8° | 155.0° |
| C11 | C9 | C10 | O3 | 167.7° | 120.0° |
| C9 | C11 | C12 | H10 | 121.1° | 120.0° |
| C9 | C11 | C12 | H11 | 121.1° | 120.0° |
| C9 | C11 | H10 | H11 | 116.4° | 119.9° |
| C9 | C11 | C12 | C13 | 34.1° | 175.0° |
| C9 | C11 | C12 | C14 | 88.3° | 65.0° |
| C9 | C11 | C12 | H12 | 152.7° | 55.0° |
| C11 | C9 | N1 | C1 | 26.5° | 84.9° |
| C11 | C9 | C10 | N2 | 13.7° | 59.9° |
| H9 | C9 | C10 | O3 | 77.1° | 120.0° |
| H9 | C9 | C11 | C12 | 23.7° | 55.0° |
| H9 | C9 | C11 | H10 | 97.4° | 174.9° |
| H9 | C9 | C11 | H11 | 144.8° | 65.1° |
| H9 | C9 | N1 | C1 | 142.8° | 35.0° |
| H9 | C9 | C10 | N2 | 101.5° | 60.1° |
| O3 | C10 | N2 | C15 | 17.9° | 0.1° |
| O3 | C10 | N2 | H19 | 162.1° | 180.0° |
| C12 | C11 | H10 | H11 | 116.4° | 120.1° |
| C11 | C12 | C13 | C14 | 121.5° | 120.0° |
| C11 | C12 | C13 | H12 | 118.7° | 120.0° |
| C11 | C12 | C14 | H12 | 119.2° | 120.0° |
| C11 | C12 | C13 | H13 | 180.0° | 59.9° |
| C11 | C12 | C13 | H14 | 60.0° | 180.0° |
| C11 | C12 | C13 | H15 | 60.0° | 60.0° |
| C11 | C12 | C14 | H16 | 180.0° | 60.0° |
| C11 | C12 | C14 | H17 | 60.0° | 60.0° |
| C11 | C12 | C14 | H18 | 60.0° | 180.0° |
| H10 | C11 | C12 | C13 | 155.3° | 55.0° |
| H10 | C11 | C12 | C14 | 32.8° | 175.1° |
| H10 | C11 | C12 | H12 | 86.2° | 65.0° |
| H11 | C11 | C12 | C13 | 87.0° | 65.0° |
| H11 | C11 | C12 | C14 | 150.5° | 55.0° |
| H11 | C11 | C12 | H12 | 31.6° | 175.0° |
| C13 | C12 | C14 | H12 | 119.8° | 120.0° |
| C12 | C13 | H13 | H14 | 120.0° | 120.1° |
| C12 | C13 | H13 | H15 | 120.0° | 120.0° |
| C12 | C13 | H14 | H15 | 120.0° | 120.1° |
| C13 | C12 | C14 | H16 | 59.0° | 60.0° |
| C13 | C12 | C14 | H17 | 61.0° | 180.0° |
| C13 | C12 | C14 | H18 | 179.0° | 59.9° |
| C14 | C12 | C13 | H13 | 58.5° | 60.1° |
| C14 | C12 | C13 | H14 | 178.5° | 60.0° |
| C14 | C12 | C13 | H15 | 61.5° | 180.0° |
| C12 | C14 | H16 | H17 | 120.0° | 120.0° |
| C12 | C14 | H16 | H18 | 120.0° | 120.0° |
| C12 | C14 | H17 | H18 | 120.0° | 120.0° |
| H12 | C12 | C13 | H13 | 61.3° | 180.0° |
| H12 | C12 | C13 | H14 | 58.7° | 60.0° |
| H12 | C12 | C13 | H15 | 178.7° | 60.1° |
| H12 | C12 | C14 | H16 | 60.8° | 180.0° |
| H12 | C12 | C14 | H17 | 179.2° | 60.0° |
| H12 | C12 | C14 | H18 | 59.1° | 60.1° |
| H13 | C13 | H14 | H15 | 120.0° | 119.9° |
| H16 | C14 | H17 | H18 | 120.0° | 120.0° |
| C15 | N2 | H19 | C10 | 180.0° | 179.9° |
| N2 | C15 | C16 | C17 | 123.1° | 120.0° |
| N2 | C15 | C16 | H20 | 120.7° | 120.0° |
| N2 | C15 | C17 | H20 | 121.4° | 120.0° |
| N2 | C15 | C16 | O4 | 64.8° | 0.1° |
| N2 | C15 | C17 | C18 | 64.6° | 65.0° |
| N2 | C15 | C17 | H21 | 55.9° | 55.0° |
| N2 | C15 | C17 | H22 | 174.9° | 175.0° |
| N2 | C15 | C16 | N3 | 115.9° | 180.0° |
| H19 | N2 | C15 | C16 | 111.8° | 25.0° |
| H19 | N2 | C15 | C17 | 7.0° | 95.0° |
| H19 | N2 | C15 | H20 | 127.9° | 145.0° |
| C16 | C15 | C17 | H20 | 116.4° | 120.1° |
| C15 | C16 | O4 | N3 | 179.3° | 179.9° |
| C16 | C15 | C17 | C18 | 173.2° | 175.0° |
| C16 | C15 | C17 | H21 | 66.3° | 65.0° |
| C16 | C15 | C17 | H22 | 52.8° | 55.0° |
| C15 | C16 | N3 | C24 | 179.2° | 180.0° |
| C15 | C16 | N3 | H28 | 0.8° | 0.1° |
| C16 | C15 | N2 | C10 | 68.2° | 155.0° |
| C17 | C15 | C16 | O4 | 58.3° | 119.9° |
| C15 | C17 | C18 | H21 | 120.5° | 120.0° |
| C15 | C17 | C18 | H22 | 120.5° | 119.9° |
| C15 | C17 | H21 | H22 | 118.5° | 120.0° |
| C15 | C17 | C18 | C19 | 77.0° | 90.0° |
| C15 | C17 | C18 | C20 | 103.1° | 90.3° |
| C17 | C15 | N2 | C10 | 173.0° | 84.9° |
| C17 | C15 | C16 | N3 | 121.0° | 60.0° |
| H20 | C15 | C16 | O4 | 174.6° | 120.0° |
| H20 | C15 | C17 | C18 | 56.8° | 54.9° |
| H20 | C15 | C17 | H21 | 177.3° | 175.0° |
| H20 | C15 | C17 | H22 | 63.7° | 65.0° |
| H20 | C15 | N2 | C10 | 52.1° | 35.0° |
| H20 | C15 | C16 | N3 | 4.8° | 60.1° |
| O4 | C16 | N3 | C24 | 0.1° | 0.1° |
| O4 | C16 | N3 | H28 | 179.9° | 180.0° |
| C18 | C17 | H21 | H22 | 118.6° | 120.1° |
| C17 | C18 | C19 | C20 | 179.9° | 179.7° |
| C17 | C18 | C19 | C21 | 179.5° | 180.0° |
| C17 | C18 | C19 | H23 | 0.5° | 0.0° |
| C17 | C18 | C20 | C22 | 179.3° | 180.0° |
| C17 | C18 | C20 | H24 | 0.7° | 0.0° |
| H21 | C17 | C18 | C19 | 162.5° | 30.0° |
| H21 | C17 | C18 | C20 | 17.4° | 149.8° |
| H22 | C17 | C18 | C19 | 43.5° | 150.0° |
| H22 | C17 | C18 | C20 | 136.5° | 29.7° |
| C18 | C19 | C21 | H23 | 180.0° | 180.0° |
| C19 | C18 | C20 | C22 | 0.8° | 0.3° |
| C19 | C18 | C20 | H24 | 179.2° | 179.7° |
| C18 | C19 | C21 | C23 | 0.3° | 0.0° |
| C18 | C19 | C21 | H25 | 179.7° | 180.0° |
| C20 | C18 | C19 | C21 | 0.6° | 0.3° |
| C20 | C18 | C19 | H23 | 179.5° | 179.8° |
| C18 | C20 | C22 | H24 | 180.0° | 180.0° |
| C18 | C20 | C22 | C23 | 0.7° | 0.0° |
| C18 | C20 | C22 | H26 | 179.3° | 180.0° |
| C19 | C21 | C23 | H25 | 180.0° | 180.0° |
| C19 | C21 | C23 | C22 | 0.3° | 0.2° |
| C19 | C21 | C23 | H27 | 179.7° | 179.9° |
| H23 | C19 | C21 | C23 | 179.7° | 180.0° |
| H23 | C19 | C21 | H25 | 0.3° | 0.0° |
| C20 | C22 | C23 | C21 | 0.5° | 0.2° |
| C20 | C22 | C23 | H26 | 180.0° | 179.9° |
| C20 | C22 | C23 | H27 | 179.5° | 179.9° |
| H24 | C20 | C22 | C23 | 179.3° | 179.9° |
| H24 | C20 | C22 | H26 | 0.7° | 0.0° |
| C21 | C23 | C22 | H27 | 180.0° | 179.9° |
| C21 | C23 | C22 | H26 | 179.5° | 179.8° |
| H25 | C21 | C23 | C22 | 179.7° | 179.8° |
| H25 | C21 | C23 | H27 | 0.3° | 0.1° |
| H26 | C22 | C23 | H27 | 0.5° | 0.1° |
| C24 | N3 | H28 | C16 | 180.0° | 179.9° |
| N3 | C24 | C25 | H29 | 120.4° | 120.0° |
| N3 | C24 | C25 | H30 | 120.4° | 120.1° |
| N3 | C24 | H29 | H30 | 118.7° | 120.1° |
| N3 | C24 | C25 | O5 | 159.6° | 0.0° |
| N3 | C24 | C25 | C26 | 18.0° | 180.0° |
| H28 | N3 | C24 | C25 | 90.6° | 0.1° |
| H28 | N3 | C24 | H29 | 148.9° | 120.1° |
| H28 | N3 | C24 | H30 | 29.8° | 120.0° |
| C25 | C24 | H29 | H30 | 118.7° | 119.9° |
| C24 | C25 | O5 | C26 | 177.6° | 180.0° |
| C24 | C25 | C26 | N4 | 61.7° | 180.0° |
| C24 | C25 | C26 | H31 | 118.3° | 0.0° |
| C25 | C24 | N3 | C16 | 89.4° | 180.0° |
| H29 | C24 | C25 | O5 | 39.1° | 120.0° |
| H29 | C24 | C25 | C26 | 138.4° | 59.9° |
| H29 | C24 | N3 | C16 | 31.1° | 60.0° |
| H30 | C24 | C25 | O5 | 80.0° | 120.1° |
| H30 | C24 | C25 | C26 | 102.5° | 59.9° |
| H30 | C24 | N3 | C16 | 150.2° | 59.9° |
| O5 | C25 | C26 | N4 | 116.1° | 0.0° |
| O5 | C25 | C26 | H31 | 63.9° | 180.0° |
| N4 | C26 | H31 | C25 | 180.0° | 180.0° |
| N5 | N4 | C26 | H31 | 90.0° | 57.0° |
| N5 | N4 | C26 | C25 | 90.0° | 123.0° |
