PRD_002308
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | O2 | sing | 1.36Å | 1.37Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| N2 | C10 | sing | 1.47Å | 1.45Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | C12 | sing | 1.51Å | 1.51Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | O3 | doub | 1.21Å | 1.23Å | |
| N3 | C13 | sing | 1.46Å | 1.45Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | O4 | doub | 1.21Å | 1.23Å | |
| C15 | N4 | sing | 1.46Å | 1.44Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| N4 | C16 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | sing | 1.51Å | 1.48Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H25 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | H26 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C24 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | N5 | sing | 1.46Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| C26 | O6 | sing | 1.43Å | 1.46Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| O6 | H35 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C12 | N3 | sing | 1.35Å | 1.33Å | |
| C14 | N4 | sing | 1.35Å | 1.34Å | |
| C17 | N5 | sing | 1.35Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.4° | 111.0° |
| N1 | C1 | C2 | 108.3° | 109.5° |
| N1 | C1 | C3 | 110.8° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 110.7° | 109.4° |
| C2 | C1 | H3 | 108.8° | 109.4° |
| C1 | C2 | O1 | 120.1° | 119.9° |
| C1 | C2 | N2 | 117.4° | 120.0° |
| C3 | C1 | H3 | 108.7° | 109.5° |
| C1 | C3 | C4 | 114.0° | 109.4° |
| C1 | C3 | H4 | 108.3° | 109.5° |
| C1 | C3 | H5 | 108.3° | 109.5° |
| O1 | C2 | N2 | 122.5° | 120.0° |
| C4 | C3 | H4 | 108.3° | 109.5° |
| C4 | C3 | H5 | 108.3° | 109.5° |
| C3 | C4 | C5 | 120.6° | 120.0° |
| C3 | C4 | C6 | 121.2° | 119.9° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| C5 | C4 | C6 | 118.2° | 120.1° |
| C4 | C5 | C7 | 121.2° | 120.1° |
| C4 | C5 | H6 | 119.4° | 120.0° |
| C4 | C6 | C8 | 121.0° | 120.0° |
| C4 | C6 | H7 | 119.5° | 120.0° |
| C7 | C5 | H6 | 119.4° | 120.0° |
| C5 | C7 | C9 | 119.7° | 119.9° |
| C5 | C7 | H8 | 120.2° | 120.1° |
| C8 | C6 | H7 | 119.5° | 120.0° |
| C6 | C8 | C9 | 119.5° | 120.0° |
| C6 | C8 | H9 | 120.2° | 120.0° |
| C9 | C7 | H8 | 120.2° | 120.0° |
| C7 | C9 | C8 | 120.3° | 119.9° |
| C7 | C9 | O2 | 119.8° | 120.1° |
| C9 | C8 | H9 | 120.2° | 120.1° |
| C8 | C9 | O2 | 119.9° | 120.0° |
| C9 | O2 | H10 | 109.5° | 114.0° |
| C10 | N2 | H11 | 119.7° | 120.0° |
| N2 | C10 | C11 | 110.7° | 109.5° |
| N2 | C10 | C12 | 108.9° | 109.5° |
| N2 | C10 | H12 | 109.4° | 109.4° |
| C10 | N2 | C2 | 120.6° | 120.0° |
| H11 | N2 | C2 | 119.7° | 120.0° |
| C11 | C10 | C12 | 110.4° | 109.5° |
| C11 | C10 | H12 | 108.7° | 109.5° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C10 | C11 | H15 | 109.5° | 109.5° |
| C12 | C10 | H12 | 108.8° | 109.5° |
| C10 | C12 | O3 | 120.4° | 120.0° |
| C10 | C12 | N3 | 116.0° | 120.0° |
| H13 | C11 | H14 | 109.4° | 109.5° |
| H13 | C11 | H15 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| O3 | C12 | N3 | 123.6° | 120.0° |
| C13 | N3 | H16 | 118.7° | 120.0° |
| N3 | C13 | C14 | 111.8° | 109.5° |
| N3 | C13 | H17 | 108.9° | 109.5° |
| N3 | C13 | H18 | 108.9° | 109.5° |
| C13 | N3 | C12 | 122.6° | 120.0° |
| H16 | N3 | C12 | 118.7° | 120.0° |
| C14 | C13 | H17 | 108.9° | 109.4° |
| C14 | C13 | H18 | 108.9° | 109.5° |
| C13 | C14 | O4 | 118.6° | 119.9° |
| C13 | C14 | N4 | 116.9° | 120.0° |
| H17 | C13 | H18 | 109.5° | 109.4° |
| O4 | C14 | N4 | 124.4° | 120.1° |
| N4 | C15 | H19 | 109.5° | 109.5° |
| N4 | C15 | H20 | 109.5° | 109.5° |
| N4 | C15 | H21 | 109.5° | 109.4° |
| C15 | N4 | C16 | 110.0° | 120.0° |
| C15 | N4 | C14 | 125.3° | 120.1° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H19 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| N4 | C16 | C17 | 107.0° | 109.5° |
| N4 | C16 | C18 | 117.5° | 109.4° |
| N4 | C16 | H22 | 108.5° | 109.4° |
| C16 | N4 | C14 | 124.2° | 120.0° |
| C17 | C16 | C18 | 108.3° | 109.5° |
| C17 | C16 | H22 | 107.8° | 109.5° |
| C16 | C17 | O5 | 126.2° | 120.0° |
| C16 | C17 | N5 | 106.9° | 120.0° |
| C18 | C16 | H22 | 107.5° | 109.5° |
| C16 | C18 | C19 | 115.6° | 109.5° |
| C16 | C18 | H23 | 108.0° | 109.5° |
| C16 | C18 | H24 | 107.9° | 109.5° |
| O5 | C17 | N5 | 126.7° | 120.0° |
| C19 | C18 | H23 | 107.9° | 109.5° |
| C19 | C18 | H24 | 107.9° | 109.5° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C18 | C19 | C24 | 119.5° | 120.0° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| C20 | C19 | C24 | 120.1° | 120.0° |
| C19 | C20 | C21 | 119.8° | 120.0° |
| C19 | C20 | H25 | 120.1° | 120.0° |
| C19 | C24 | C23 | 120.1° | 120.0° |
| C19 | C24 | H29 | 120.0° | 119.9° |
| C21 | C20 | H25 | 120.1° | 120.0° |
| C20 | C21 | C22 | 119.9° | 120.0° |
| C20 | C21 | H26 | 120.1° | 120.0° |
| C22 | C21 | H26 | 120.0° | 120.0° |
| C21 | C22 | C23 | 120.6° | 120.0° |
| C21 | C22 | H27 | 119.7° | 120.0° |
| C23 | C22 | H27 | 119.7° | 119.9° |
| C22 | C23 | C24 | 119.5° | 120.0° |
| C22 | C23 | H28 | 120.3° | 120.0° |
| C24 | C23 | H28 | 120.2° | 119.9° |
| C23 | C24 | H29 | 119.9° | 120.1° |
| N5 | C25 | C26 | 113.0° | 109.5° |
| N5 | C25 | H30 | 108.6° | 109.5° |
| N5 | C25 | H31 | 108.6° | 109.5° |
| C25 | N5 | H32 | 126.9° | 120.0° |
| C25 | N5 | C17 | 106.2° | 120.0° |
| C26 | C25 | H30 | 108.6° | 109.5° |
| C26 | C25 | H31 | 108.6° | 109.5° |
| C25 | C26 | O6 | 107.5° | 109.5° |
| C25 | C26 | H33 | 109.9° | 109.5° |
| C25 | C26 | H34 | 109.9° | 109.5° |
| H30 | C25 | H31 | 109.4° | 109.4° |
| H32 | N5 | C17 | 126.9° | 120.0° |
| O6 | C26 | H33 | 110.0° | 109.5° |
| O6 | C26 | H34 | 109.9° | 109.5° |
| C26 | O6 | H35 | 109.5° | 114.0° |
| H33 | C26 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C3 | 121.7° | 120.0° |
| N1 | C1 | C2 | H3 | 119.0° | 120.1° |
| N1 | C1 | C3 | H3 | 120.4° | 120.1° |
| N1 | C1 | C2 | O1 | 22.1° | 20.0° |
| N1 | C1 | C3 | C4 | 167.7° | 65.0° |
| N1 | C1 | C3 | H4 | 47.0° | 54.9° |
| N1 | C1 | C3 | H5 | 71.6° | 175.0° |
| N1 | C1 | C2 | N2 | 157.2° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 64.0° |
| H1 | N1 | C1 | C3 | 58.4° | 176.1° |
| H1 | N1 | C1 | H3 | 61.5° | 56.0° |
| H2 | N1 | C1 | C2 | 60.0° | 60.0° |
| H2 | N1 | C1 | C3 | 178.4° | 60.0° |
| H2 | N1 | C1 | H3 | 58.5° | 180.0° |
| C2 | C1 | C3 | H3 | 119.4° | 119.9° |
| C1 | C2 | O1 | N2 | 179.3° | 180.0° |
| C2 | C1 | C3 | C4 | 72.1° | 175.0° |
| C2 | C1 | C3 | H4 | 167.2° | 65.1° |
| C2 | C1 | C3 | H5 | 48.6° | 55.0° |
| C1 | C2 | N2 | C10 | 179.9° | 180.0° |
| C1 | C2 | N2 | H11 | 0.1° | 0.0° |
| C3 | C1 | C2 | O1 | 99.6° | 100.0° |
| C1 | C3 | C4 | H4 | 120.7° | 119.9° |
| C1 | C3 | C4 | H5 | 120.7° | 120.0° |
| C1 | C3 | H4 | H5 | 117.9° | 120.1° |
| C1 | C3 | C4 | C5 | 75.8° | 90.0° |
| C1 | C3 | C4 | C6 | 104.1° | 90.3° |
| C3 | C1 | C2 | N2 | 81.0° | 80.0° |
| H3 | C1 | C2 | O1 | 141.1° | 140.1° |
| H3 | C1 | C3 | C4 | 47.3° | 55.1° |
| H3 | C1 | C3 | H4 | 73.4° | 175.0° |
| H3 | C1 | C3 | H5 | 168.0° | 64.9° |
| H3 | C1 | C2 | N2 | 38.3° | 40.0° |
| O1 | C2 | N2 | C10 | 0.5° | 0.0° |
| O1 | C2 | N2 | H11 | 179.5° | 180.0° |
| C4 | C3 | H4 | H5 | 118.0° | 120.0° |
| C3 | C4 | C5 | C6 | 179.9° | 179.7° |
| C3 | C4 | C5 | C7 | 179.8° | 180.0° |
| C3 | C4 | C5 | H6 | 0.2° | 0.0° |
| C3 | C4 | C6 | C8 | 179.9° | 180.0° |
| C3 | C4 | C6 | H7 | 0.1° | 0.0° |
| H4 | C3 | C4 | C5 | 44.9° | 30.0° |
| H4 | C3 | C4 | C6 | 135.2° | 149.8° |
| H5 | C3 | C4 | C5 | 163.6° | 150.0° |
| H5 | C3 | C4 | C6 | 16.5° | 29.7° |
| C4 | C5 | C7 | H6 | 180.0° | 180.0° |
| C5 | C4 | C6 | C8 | 0.0° | 0.3° |
| C5 | C4 | C6 | H7 | 180.0° | 179.8° |
| C4 | C5 | C7 | C9 | 0.3° | 0.0° |
| C4 | C5 | C7 | H8 | 179.7° | 180.0° |
| C6 | C4 | C5 | C7 | 0.1° | 0.2° |
| C6 | C4 | C5 | H6 | 179.9° | 179.7° |
| C4 | C6 | C8 | H7 | 180.0° | 180.0° |
| C4 | C6 | C8 | C9 | 0.1° | 0.0° |
| C4 | C6 | C8 | H9 | 179.9° | 179.9° |
| C5 | C7 | C9 | H8 | 180.0° | 180.0° |
| C5 | C7 | C9 | C8 | 0.3° | 0.2° |
| C5 | C7 | C9 | O2 | 179.9° | 179.9° |
| H6 | C5 | C7 | C9 | 179.8° | 180.0° |
| H6 | C5 | C7 | H8 | 0.2° | 0.0° |
| C6 | C8 | C9 | C7 | 0.3° | 0.2° |
| C6 | C8 | C9 | H9 | 180.0° | 179.9° |
| C6 | C8 | C9 | O2 | 180.0° | 180.0° |
| H7 | C6 | C8 | C9 | 179.9° | 180.0° |
| H7 | C6 | C8 | H9 | 0.1° | 0.1° |
| C7 | C9 | C8 | O2 | 179.7° | 179.8° |
| C7 | C9 | C8 | H9 | 179.8° | 179.7° |
| C7 | C9 | O2 | H10 | 180.0° | 90.0° |
| H8 | C7 | C9 | C8 | 179.7° | 179.7° |
| H8 | C7 | C9 | O2 | 0.1° | 0.1° |
| C8 | C9 | O2 | H10 | 0.2° | 89.8° |
| H9 | C8 | C9 | O2 | 0.0° | 0.1° |
| C10 | N2 | H11 | C2 | 180.0° | 180.0° |
| N2 | C10 | C11 | C12 | 120.6° | 120.0° |
| N2 | C10 | C11 | H12 | 120.2° | 120.0° |
| N2 | C10 | C12 | H12 | 119.2° | 120.0° |
| N2 | C10 | C11 | H13 | 180.0° | 60.0° |
| N2 | C10 | C11 | H14 | 60.0° | 60.0° |
| N2 | C10 | C11 | H15 | 60.0° | 180.0° |
| N2 | C10 | C12 | O3 | 115.8° | 0.0° |
| N2 | C10 | C12 | N3 | 63.0° | 180.0° |
| H11 | N2 | C10 | C11 | 33.3° | 95.0° |
| H11 | N2 | C10 | C12 | 88.2° | 25.0° |
| H11 | N2 | C10 | H12 | 153.1° | 145.0° |
| C11 | C10 | C12 | H12 | 119.2° | 120.0° |
| C10 | C11 | H13 | H14 | 120.0° | 120.0° |
| C10 | C11 | H13 | H15 | 120.0° | 120.0° |
| C10 | C11 | H14 | H15 | 120.0° | 120.0° |
| C11 | C10 | C12 | O3 | 5.9° | 120.0° |
| C11 | C10 | N2 | C2 | 146.6° | 85.0° |
| C11 | C10 | C12 | N3 | 175.3° | 60.0° |
| C12 | C10 | C11 | H13 | 59.4° | 60.0° |
| C12 | C10 | C11 | H14 | 60.6° | 180.0° |
| C12 | C10 | C11 | H15 | 179.4° | 60.0° |
| C10 | C12 | O3 | N3 | 178.7° | 180.0° |
| C10 | C12 | N3 | C13 | 173.7° | 180.0° |
| C10 | C12 | N3 | H16 | 6.3° | 0.0° |
| C12 | C10 | N2 | C2 | 91.9° | 155.0° |
| H12 | C10 | C11 | H13 | 59.8° | 180.0° |
| H12 | C10 | C11 | H14 | 179.8° | 60.0° |
| H12 | C10 | C11 | H15 | 60.2° | 60.0° |
| H12 | C10 | C12 | O3 | 125.0° | 120.0° |
| H12 | C10 | N2 | C2 | 26.9° | 35.1° |
| H12 | C10 | C12 | N3 | 56.2° | 60.0° |
| H13 | C11 | H14 | H15 | 120.0° | 120.0° |
| O3 | C12 | N3 | C13 | 5.1° | 0.0° |
| O3 | C12 | N3 | H16 | 175.0° | 180.0° |
| C13 | N3 | H16 | C12 | 180.0° | 180.0° |
| N3 | C13 | C14 | H17 | 120.3° | 120.0° |
| N3 | C13 | C14 | H18 | 120.4° | 120.1° |
| N3 | C13 | H17 | H18 | 119.0° | 120.0° |
| N3 | C13 | C14 | O4 | 21.0° | 0.0° |
| N3 | C13 | C14 | N4 | 160.2° | 180.0° |
| H16 | N3 | C13 | C14 | 117.8° | 0.1° |
| H16 | N3 | C13 | H17 | 121.9° | 120.0° |
| H16 | N3 | C13 | H18 | 2.6° | 120.0° |
| C14 | C13 | H17 | H18 | 119.0° | 120.0° |
| C13 | C14 | O4 | N4 | 178.8° | 180.0° |
| C13 | C14 | N4 | C15 | 7.3° | 0.0° |
| C13 | C14 | N4 | C16 | 164.4° | 180.0° |
| C14 | C13 | N3 | C12 | 62.2° | 180.0° |
| H17 | C13 | C14 | O4 | 141.3° | 120.0° |
| H17 | C13 | N3 | C12 | 58.1° | 60.0° |
| H17 | C13 | C14 | N4 | 39.8° | 60.0° |
| H18 | C13 | C14 | O4 | 99.4° | 120.0° |
| H18 | C13 | N3 | C12 | 177.4° | 60.0° |
| H18 | C13 | C14 | N4 | 79.5° | 59.9° |
| O4 | C14 | N4 | C15 | 171.5° | 180.0° |
| O4 | C14 | N4 | C16 | 16.8° | 0.0° |
| N4 | C15 | H19 | H20 | 120.0° | 120.0° |
| N4 | C15 | H19 | H21 | 120.0° | 120.0° |
| N4 | C15 | H20 | H21 | 120.0° | 119.9° |
| C15 | N4 | C16 | C14 | 172.8° | 180.0° |
| C15 | N4 | C16 | C17 | 114.8° | 60.0° |
| C15 | N4 | C16 | C18 | 123.2° | 60.1° |
| C15 | N4 | C16 | H22 | 1.2° | 180.0° |
| H19 | C15 | H20 | H21 | 120.0° | 120.0° |
| H19 | C15 | N4 | C16 | 180.0° | 90.0° |
| H19 | C15 | N4 | C14 | 7.3° | 90.0° |
| H20 | C15 | N4 | C16 | 60.0° | 30.0° |
| H20 | C15 | N4 | C14 | 127.3° | 150.0° |
| H21 | C15 | N4 | C16 | 60.0° | 150.0° |
| H21 | C15 | N4 | C14 | 112.7° | 30.0° |
| N4 | C16 | C17 | C18 | 127.6° | 120.0° |
| N4 | C16 | C17 | H22 | 116.5° | 120.0° |
| N4 | C16 | C18 | H22 | 122.5° | 119.9° |
| N4 | C16 | C17 | O5 | 91.2° | 0.0° |
| N4 | C16 | C18 | C19 | 23.6° | 65.0° |
| N4 | C16 | C18 | H23 | 97.4° | 55.0° |
| N4 | C16 | C18 | H24 | 144.4° | 175.0° |
| N4 | C16 | C17 | N5 | 84.0° | 180.0° |
| C17 | C16 | C18 | H22 | 116.2° | 120.0° |
| C16 | C17 | O5 | N5 | 174.3° | 180.0° |
| C17 | C16 | C18 | C19 | 144.9° | 175.0° |
| C17 | C16 | C18 | H23 | 24.0° | 65.0° |
| C17 | C16 | C18 | H24 | 94.3° | 55.0° |
| C16 | C17 | N5 | C25 | 175.7° | 180.0° |
| C16 | C17 | N5 | H32 | 4.3° | 0.1° |
| C17 | C16 | N4 | C14 | 58.0° | 120.0° |
| C18 | C16 | C17 | O5 | 36.3° | 120.0° |
| C16 | C18 | C19 | H23 | 120.9° | 120.0° |
| C16 | C18 | C19 | H24 | 120.9° | 120.0° |
| C16 | C18 | H23 | H24 | 117.2° | 120.0° |
| C16 | C18 | C19 | C20 | 62.1° | 90.0° |
| C16 | C18 | C19 | C24 | 119.2° | 90.3° |
| C18 | C16 | N4 | C14 | 64.0° | 120.0° |
| C18 | C16 | C17 | N5 | 148.4° | 60.0° |
| H22 | C16 | C17 | O5 | 152.3° | 120.0° |
| H22 | C16 | C18 | C19 | 99.0° | 54.9° |
| H22 | C16 | C18 | H23 | 140.1° | 175.0° |
| H22 | C16 | C18 | H24 | 21.9° | 65.1° |
| H22 | C16 | N4 | C14 | 174.0° | 0.0° |
| H22 | C16 | C17 | N5 | 32.4° | 60.0° |
| O5 | C17 | N5 | C25 | 9.1° | 0.0° |
| O5 | C17 | N5 | H32 | 170.9° | 180.0° |
| C19 | C18 | H23 | H24 | 117.2° | 119.9° |
| C18 | C19 | C20 | C24 | 178.7° | 179.7° |
| C18 | C19 | C20 | C21 | 179.6° | 180.0° |
| C18 | C19 | C20 | H25 | 0.3° | 0.0° |
| C18 | C19 | C24 | C23 | 179.3° | 179.8° |
| C18 | C19 | C24 | H29 | 0.7° | 0.0° |
| H23 | C18 | C19 | C20 | 177.0° | 30.1° |
| H23 | C18 | C19 | C24 | 1.7° | 149.7° |
| H24 | C18 | C19 | C20 | 58.8° | 150.0° |
| H24 | C18 | C19 | C24 | 119.9° | 29.7° |
| C19 | C20 | C21 | H25 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.9° | 0.0° |
| C19 | C20 | C21 | H26 | 179.1° | 180.0° |
| C20 | C19 | C24 | C23 | 0.6° | 0.5° |
| C20 | C19 | C24 | H29 | 179.4° | 179.7° |
| C24 | C19 | C20 | C21 | 0.9° | 0.3° |
| C24 | C19 | C20 | H25 | 179.0° | 179.7° |
| C19 | C24 | C23 | C22 | 0.2° | 0.5° |
| C19 | C24 | C23 | H29 | 180.0° | 179.8° |
| C19 | C24 | C23 | H28 | 179.8° | 179.7° |
| C20 | C21 | C22 | H26 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.5° | 0.1° |
| C20 | C21 | C22 | H27 | 179.5° | 179.9° |
| H25 | C20 | C21 | C22 | 179.1° | 180.0° |
| H25 | C20 | C21 | H26 | 0.9° | 0.0° |
| C21 | C22 | C23 | H27 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.2° |
| C21 | C22 | C23 | H28 | 179.8° | 179.9° |
| H26 | C21 | C22 | C23 | 179.4° | 180.0° |
| H26 | C21 | C22 | H27 | 0.6° | 0.0° |
| C22 | C23 | C24 | H28 | 180.0° | 179.9° |
| C22 | C23 | C24 | H29 | 179.8° | 179.8° |
| H27 | C22 | C23 | C24 | 179.8° | 179.8° |
| H27 | C22 | C23 | H28 | 0.2° | 0.0° |
| H28 | C23 | C24 | H29 | 0.2° | 0.1° |
| N5 | C25 | C26 | H30 | 120.5° | 120.0° |
| N5 | C25 | C26 | H31 | 120.6° | 120.0° |
| N5 | C25 | H30 | H31 | 118.4° | 120.0° |
| C25 | N5 | H32 | C17 | 180.0° | 179.9° |
| N5 | C25 | C26 | O6 | 81.4° | 65.0° |
| N5 | C25 | C26 | H33 | 159.0° | 175.0° |
| N5 | C25 | C26 | H34 | 38.3° | 55.0° |
| C26 | C25 | H30 | H31 | 118.4° | 120.0° |
| C26 | C25 | N5 | H32 | 80.6° | 0.0° |
| C25 | C26 | O6 | H33 | 119.7° | 120.0° |
| C25 | C26 | O6 | H34 | 119.7° | 120.0° |
| C25 | C26 | H33 | H34 | 120.9° | 120.0° |
| C25 | C26 | O6 | H35 | 180.0° | 180.0° |
| C26 | C25 | N5 | C17 | 99.4° | 180.0° |
| H30 | C25 | N5 | H32 | 39.9° | 120.0° |
| H30 | C25 | C26 | O6 | 39.2° | 55.0° |
| H30 | C25 | C26 | H33 | 80.5° | 65.0° |
| H30 | C25 | C26 | H34 | 158.9° | 175.0° |
| H30 | C25 | N5 | C17 | 140.1° | 60.0° |
| H31 | C25 | N5 | H32 | 158.8° | 120.1° |
| H31 | C25 | C26 | O6 | 158.1° | 175.0° |
| H31 | C25 | C26 | H33 | 38.4° | 55.0° |
| H31 | C25 | C26 | H34 | 82.3° | 65.0° |
| H31 | C25 | N5 | C17 | 21.2° | 60.0° |
| O6 | C26 | H33 | H34 | 120.9° | 120.0° |
| H33 | C26 | O6 | H35 | 60.4° | 60.0° |
| H34 | C26 | O6 | H35 | 60.3° | 60.0° |
