PRD_000337
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C1 | O2 | sing | 1.35Å | 1.39Å | |
| O2 | C2 | sing | 1.45Å | 1.45Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.36Å | Aromatic |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.48Å | |
| 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 | 1.46Å | 1.46Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | C17 | sing | 1.53Å | 1.57Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | O4 | doub | 1.21Å | 1.22Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| N3 | C20 | sing | 1.47Å | 1.45Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | O5 | doub | 1.22Å | 1.23Å | |
| C22 | N4 | doub | 1.25Å | 61.80Å | |
| N4 | N5 | doub | 1.12Å | 0.00Å | |
| C22 | H31 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.32Å | |
| C21 | C22 | sing | 1.39Å | 1.47Å | |
| C10 | N2 | sing | 1.35Å | 1.32Å | |
| C16 | N3 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 122.2° | 120.1° |
| O1 | C1 | N1 | 121.8° | 120.0° |
| C1 | O2 | C2 | 118.0° | 117.0° |
| O2 | C1 | N1 | 114.8° | 120.0° |
| O2 | C2 | C3 | 114.9° | 109.5° |
| O2 | C2 | H1 | 108.1° | 109.5° |
| O2 | C2 | H2 | 108.1° | 109.5° |
| C3 | C2 | H1 | 108.1° | 109.5° |
| C3 | C2 | H2 | 108.1° | 109.5° |
| C2 | C3 | C4 | 122.7° | 120.0° |
| C2 | C3 | C8 | 118.7° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| C4 | C3 | C8 | 118.4° | 120.0° |
| C3 | C4 | C5 | 120.1° | 120.0° |
| C3 | C4 | H3 | 120.0° | 120.0° |
| C3 | C8 | C7 | 122.0° | 120.0° |
| C3 | C8 | H7 | 119.0° | 120.0° |
| C5 | C4 | H3 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C4 | C5 | H4 | 120.0° | 119.9° |
| C6 | C5 | H4 | 120.0° | 120.0° |
| C5 | C6 | C7 | 120.3° | 120.0° |
| C5 | C6 | H5 | 119.9° | 120.0° |
| C7 | C6 | H5 | 119.9° | 120.0° |
| C6 | C7 | C8 | 119.1° | 120.0° |
| C6 | C7 | H6 | 120.5° | 120.0° |
| C8 | C7 | H6 | 120.4° | 120.0° |
| C7 | C8 | H7 | 119.0° | 120.1° |
| C9 | N1 | H8 | 119.1° | 120.0° |
| N1 | C9 | C10 | 115.8° | 109.5° |
| N1 | C9 | C11 | 108.3° | 109.5° |
| N1 | C9 | H9 | 106.5° | 109.4° |
| C9 | N1 | C1 | 121.7° | 120.0° |
| H8 | N1 | C1 | 119.2° | 120.0° |
| C10 | C9 | C11 | 114.2° | 109.5° |
| C10 | C9 | H9 | 105.6° | 109.4° |
| C9 | C10 | O3 | 122.7° | 120.0° |
| C9 | C10 | N2 | 114.7° | 120.0° |
| C11 | C9 | H9 | 105.6° | 109.5° |
| C9 | C11 | C12 | 125.5° | 109.5° |
| C9 | C11 | H10 | 105.3° | 109.5° |
| C9 | C11 | H11 | 105.3° | 109.4° |
| O3 | C10 | N2 | 122.6° | 120.0° |
| C12 | C11 | H10 | 105.4° | 109.5° |
| C12 | C11 | H11 | 105.3° | 109.5° |
| C11 | C12 | C13 | 112.2° | 109.5° |
| C11 | C12 | C14 | 107.5° | 109.5° |
| C11 | C12 | H12 | 108.2° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.4° |
| C13 | C12 | C14 | 111.7° | 109.5° |
| C13 | C12 | H12 | 108.8° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C12 | C13 | H14 | 109.4° | 109.4° |
| C12 | C13 | H15 | 109.5° | 109.5° |
| C14 | C12 | H12 | 108.2° | 109.5° |
| C12 | C14 | H16 | 109.5° | 109.5° |
| C12 | C14 | H17 | 109.5° | 109.5° |
| C12 | C14 | H18 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.4° |
| H16 | C14 | H17 | 109.4° | 109.5° |
| H16 | C14 | H18 | 109.5° | 109.4° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| C15 | N2 | H19 | 118.1° | 120.0° |
| N2 | C15 | C16 | 111.4° | 109.5° |
| N2 | C15 | C17 | 111.1° | 109.5° |
| N2 | C15 | H20 | 109.6° | 109.4° |
| C15 | N2 | C10 | 123.8° | 120.0° |
| H19 | N2 | C10 | 118.1° | 120.0° |
| C16 | C15 | C17 | 107.9° | 109.5° |
| C16 | C15 | H20 | 108.5° | 109.4° |
| C15 | C16 | O4 | 120.9° | 120.0° |
| C15 | C16 | N3 | 116.3° | 120.0° |
| C17 | C15 | H20 | 108.1° | 109.5° |
| C15 | C17 | C18 | 110.8° | 109.5° |
| C15 | C17 | C19 | 110.7° | 109.5° |
| C15 | C17 | H21 | 108.3° | 109.5° |
| O4 | C16 | N3 | 122.7° | 120.0° |
| C18 | C17 | C19 | 108.9° | 109.5° |
| C18 | C17 | H21 | 109.2° | 109.4° |
| C17 | C18 | H22 | 109.5° | 109.5° |
| C17 | C18 | H23 | 109.5° | 109.5° |
| C17 | C18 | H24 | 109.5° | 109.4° |
| C19 | C17 | H21 | 108.9° | 109.5° |
| C17 | C19 | H25 | 109.5° | 109.5° |
| C17 | C19 | H26 | 109.5° | 109.4° |
| C17 | C19 | H27 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H22 | C18 | H24 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H25 | C19 | H27 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.4° | 109.5° |
| C20 | N3 | H28 | 119.1° | 120.0° |
| N3 | C20 | C21 | 106.4° | 109.5° |
| N3 | C20 | H29 | 110.2° | 109.5° |
| N3 | C20 | H30 | 110.2° | 109.5° |
| C20 | N3 | C16 | 121.9° | 120.0° |
| H28 | N3 | C16 | 119.1° | 120.0° |
| C21 | C20 | H29 | 110.2° | 109.5° |
| C21 | C20 | H30 | 110.3° | 109.5° |
| C20 | C21 | O5 | 119.8° | 120.0° |
| C20 | C21 | C22 | 120.6° | 120.0° |
| H29 | C20 | H30 | 109.5° | 109.5° |
| O5 | C21 | C22 | 118.4° | 120.0° |
| C22 | N4 | N5 | 90.0° | 180.0° |
| N4 | C22 | H31 | 96.4° | 119.9° |
| N4 | C22 | C21 | 167.1° | 120.0° |
| H31 | C22 | C21 | 96.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 167.4° | 179.8° |
| O1 | C1 | O2 | C2 | 27.7° | 0.0° |
| O1 | C1 | N1 | C9 | 8.7° | 0.0° |
| O1 | C1 | N1 | H8 | 171.3° | 180.0° |
| C1 | O2 | C2 | C3 | 123.8° | 180.0° |
| C1 | O2 | C2 | H1 | 115.5° | 60.0° |
| C1 | O2 | C2 | H2 | 3.0° | 60.0° |
| O2 | C1 | N1 | C9 | 176.2° | 179.7° |
| O2 | C1 | N1 | H8 | 3.8° | 0.2° |
| O2 | C2 | C3 | H1 | 120.8° | 120.0° |
| O2 | C2 | C3 | H2 | 120.8° | 120.0° |
| O2 | C2 | H1 | H2 | 117.5° | 120.0° |
| O2 | C2 | C3 | C4 | 93.7° | 90.0° |
| O2 | C2 | C3 | C8 | 92.3° | 90.3° |
| C2 | O2 | C1 | N1 | 164.9° | 179.7° |
| C3 | C2 | H1 | H2 | 117.5° | 120.0° |
| C2 | C3 | C4 | C8 | 174.0° | 179.7° |
| C2 | C3 | C4 | C5 | 172.8° | 180.0° |
| C2 | C3 | C4 | H3 | 7.2° | 0.0° |
| C2 | C3 | C8 | C7 | 173.2° | 179.8° |
| C2 | C3 | C8 | H7 | 6.8° | 0.0° |
| H1 | C2 | C3 | C4 | 145.5° | 30.0° |
| H1 | C2 | C3 | C8 | 28.4° | 149.7° |
| H2 | C2 | C3 | C4 | 27.1° | 150.0° |
| H2 | C2 | C3 | C8 | 146.9° | 29.7° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C5 | H4 | 179.6° | 179.9° |
| C4 | C3 | C8 | C7 | 1.1° | 0.5° |
| C4 | C3 | C8 | H7 | 178.9° | 179.7° |
| C8 | C3 | C4 | C5 | 1.2° | 0.3° |
| C8 | C3 | C4 | H3 | 178.8° | 179.7° |
| C3 | C8 | C7 | C6 | 0.1° | 0.4° |
| C3 | C8 | C7 | H7 | 180.0° | 179.8° |
| C3 | C8 | C7 | H6 | 179.9° | 179.7° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.1° |
| C4 | C5 | C6 | H5 | 179.5° | 180.0° |
| H3 | C4 | C5 | C6 | 179.5° | 180.0° |
| H3 | C4 | C5 | H4 | 0.5° | 0.1° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.7° | 0.1° |
| C5 | C6 | C7 | H6 | 179.3° | 180.0° |
| H4 | C5 | C6 | C7 | 179.5° | 180.0° |
| H4 | C5 | C6 | H5 | 0.5° | 0.0° |
| C6 | C7 | C8 | H6 | 180.0° | 179.9° |
| C6 | C7 | C8 | H7 | 179.9° | 179.8° |
| H5 | C6 | C7 | C8 | 179.3° | 179.8° |
| H5 | C6 | C7 | H6 | 0.7° | 0.1° |
| H6 | C7 | C8 | H7 | 0.1° | 0.1° |
| C9 | N1 | H8 | C1 | 180.0° | 180.0° |
| N1 | C9 | C10 | C11 | 126.9° | 120.0° |
| N1 | C9 | C10 | H9 | 117.5° | 119.9° |
| N1 | C9 | C11 | H9 | 113.8° | 120.0° |
| N1 | C9 | C10 | O3 | 72.8° | 0.0° |
| N1 | C9 | C11 | C12 | 162.9° | 65.0° |
| N1 | C9 | C11 | H10 | 40.7° | 55.0° |
| N1 | C9 | C11 | H11 | 75.0° | 175.0° |
| N1 | C9 | C10 | N2 | 109.0° | 180.0° |
| H8 | N1 | C9 | C10 | 120.5° | 25.0° |
| H8 | N1 | C9 | C11 | 9.3° | 95.0° |
| H8 | N1 | C9 | H9 | 122.5° | 145.0° |
| C10 | C9 | C11 | H9 | 115.6° | 120.0° |
| C9 | C10 | O3 | N2 | 178.1° | 180.0° |
| C10 | C9 | C11 | C12 | 66.5° | 175.0° |
| C10 | C9 | C11 | H10 | 171.4° | 65.0° |
| C10 | C9 | C11 | H11 | 55.7° | 55.0° |
| C9 | C10 | N2 | C15 | 177.8° | 180.0° |
| C9 | C10 | N2 | H19 | 2.3° | 0.1° |
| C10 | C9 | N1 | C1 | 59.5° | 155.0° |
| C11 | C9 | C10 | O3 | 54.0° | 120.0° |
| C9 | C11 | C12 | H10 | 122.1° | 120.0° |
| C9 | C11 | C12 | H11 | 122.2° | 120.0° |
| C9 | C11 | H10 | H11 | 112.8° | 119.9° |
| C9 | C11 | C12 | C13 | 47.0° | 175.0° |
| C9 | C11 | C12 | C14 | 170.2° | 64.9° |
| C9 | C11 | C12 | H12 | 73.1° | 55.0° |
| C11 | C9 | N1 | C1 | 170.7° | 85.0° |
| C11 | C9 | C10 | N2 | 124.2° | 60.0° |
| H9 | C9 | C10 | O3 | 169.6° | 120.0° |
| H9 | C9 | C11 | C12 | 49.1° | 55.0° |
| H9 | C9 | C11 | H10 | 73.1° | 175.0° |
| H9 | C9 | C11 | H11 | 171.3° | 65.1° |
| H9 | C9 | N1 | C1 | 57.5° | 35.0° |
| H9 | C9 | C10 | N2 | 8.6° | 60.1° |
| O3 | C10 | N2 | C15 | 4.0° | 0.0° |
| O3 | C10 | N2 | H19 | 175.9° | 180.0° |
| C12 | C11 | H10 | H11 | 112.8° | 120.0° |
| C11 | C12 | C13 | C14 | 120.8° | 120.0° |
| C11 | C12 | C13 | H12 | 119.8° | 120.0° |
| C11 | C12 | C14 | H12 | 116.7° | 120.0° |
| C11 | C12 | C13 | H13 | 180.0° | 60.0° |
| C11 | C12 | C13 | H14 | 60.0° | 180.0° |
| C11 | C12 | C13 | H15 | 60.0° | 60.1° |
| 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 | 75.1° | 55.0° |
| H10 | C11 | C12 | C14 | 48.1° | 175.0° |
| H10 | C11 | C12 | H12 | 164.8° | 65.0° |
| H11 | C11 | C12 | C13 | 169.2° | 65.0° |
| H11 | C11 | C12 | C14 | 67.6° | 55.0° |
| H11 | C11 | C12 | H12 | 49.1° | 175.0° |
| C13 | C12 | C14 | H12 | 119.8° | 120.0° |
| C12 | C13 | H13 | H14 | 120.0° | 120.0° |
| C12 | C13 | H13 | H15 | 120.0° | 120.1° |
| C12 | C13 | H14 | H15 | 120.0° | 120.0° |
| C13 | C12 | C14 | H16 | 56.5° | 60.0° |
| C13 | C12 | C14 | H17 | 63.5° | 180.0° |
| C13 | C12 | C14 | H18 | 176.5° | 60.0° |
| C14 | C12 | C13 | H13 | 59.2° | 60.0° |
| C14 | C12 | C13 | H14 | 179.2° | 60.0° |
| C14 | C12 | C13 | H15 | 60.8° | 180.0° |
| C12 | C14 | H16 | H17 | 120.0° | 120.1° |
| C12 | C14 | H16 | H18 | 120.0° | 120.0° |
| C12 | C14 | H17 | H18 | 120.0° | 120.0° |
| H12 | C12 | C13 | H13 | 60.2° | 180.0° |
| H12 | C12 | C13 | H14 | 59.8° | 60.0° |
| H12 | C12 | C13 | H15 | 179.7° | 59.9° |
| H12 | C12 | C14 | H16 | 63.3° | 180.0° |
| H12 | C12 | C14 | H17 | 176.8° | 60.0° |
| H12 | C12 | C14 | H18 | 56.7° | 60.0° |
| H13 | C13 | H14 | H15 | 120.0° | 120.0° |
| H16 | C14 | H17 | H18 | 120.0° | 119.9° |
| C15 | N2 | H19 | C10 | 180.0° | 179.9° |
| N2 | C15 | C16 | C17 | 122.3° | 120.1° |
| N2 | C15 | C16 | H20 | 120.8° | 120.0° |
| N2 | C15 | C17 | H20 | 120.3° | 120.0° |
| N2 | C15 | C16 | O4 | 29.9° | 0.1° |
| N2 | C15 | C17 | C18 | 61.7° | 60.0° |
| N2 | C15 | C17 | C19 | 59.2° | 60.0° |
| N2 | C15 | C17 | H21 | 178.6° | 180.0° |
| N2 | C15 | C16 | N3 | 146.3° | 180.0° |
| H19 | N2 | C15 | C16 | 46.4° | 25.0° |
| H19 | N2 | C15 | C17 | 74.0° | 95.0° |
| H19 | N2 | C15 | H20 | 166.5° | 145.0° |
| C16 | C15 | C17 | H20 | 117.2° | 120.0° |
| C15 | C16 | O4 | N3 | 176.0° | 180.0° |
| C16 | C15 | C17 | C18 | 175.8° | 180.0° |
| C16 | C15 | C17 | C19 | 63.2° | 60.0° |
| C16 | C15 | C17 | H21 | 56.1° | 60.0° |
| C15 | C16 | N3 | C20 | 177.8° | 180.0° |
| C15 | C16 | N3 | H28 | 2.2° | 0.0° |
| C16 | C15 | N2 | C10 | 133.6° | 155.0° |
| C17 | C15 | C16 | O4 | 92.4° | 120.0° |
| C15 | C17 | C18 | C19 | 122.0° | 120.0° |
| C15 | C17 | C18 | H21 | 119.2° | 120.0° |
| C15 | C17 | C19 | H21 | 119.0° | 120.0° |
| C15 | C17 | C18 | H22 | 180.0° | 179.9° |
| C15 | C17 | C18 | H23 | 60.0° | 60.0° |
| C15 | C17 | C18 | H24 | 60.0° | 60.0° |
| C15 | C17 | C19 | H25 | 180.0° | 60.0° |
| C15 | C17 | C19 | H26 | 60.0° | 180.0° |
| C15 | C17 | C19 | H27 | 60.0° | 60.0° |
| C17 | C15 | N2 | C10 | 106.0° | 85.0° |
| C17 | C15 | C16 | N3 | 91.4° | 60.0° |
| H20 | C15 | C16 | O4 | 150.6° | 120.0° |
| H20 | C15 | C17 | C18 | 58.6° | 60.0° |
| H20 | C15 | C17 | C19 | 179.6° | 180.0° |
| H20 | C15 | C17 | H21 | 61.1° | 60.0° |
| H20 | C15 | N2 | C10 | 13.4° | 35.0° |
| H20 | C15 | C16 | N3 | 25.6° | 60.0° |
| O4 | C16 | N3 | C20 | 6.0° | 0.0° |
| O4 | C16 | N3 | H28 | 174.0° | 180.0° |
| C18 | C17 | C19 | H21 | 119.0° | 120.0° |
| C17 | C18 | H22 | H23 | 120.0° | 120.0° |
| C17 | C18 | H22 | H24 | 120.0° | 119.9° |
| C17 | C18 | H23 | H24 | 120.0° | 120.0° |
| C18 | C17 | C19 | H25 | 58.0° | 180.0° |
| C18 | C17 | C19 | H26 | 62.0° | 60.0° |
| C18 | C17 | C19 | H27 | 178.0° | 60.0° |
| C19 | C17 | C18 | H22 | 58.0° | 60.0° |
| C19 | C17 | C18 | H23 | 178.0° | 180.0° |
| C19 | C17 | C18 | H24 | 62.0° | 60.0° |
| C17 | C19 | H25 | H26 | 120.0° | 120.0° |
| C17 | C19 | H25 | H27 | 120.0° | 120.0° |
| C17 | C19 | H26 | H27 | 120.0° | 120.0° |
| H21 | C17 | C18 | H22 | 60.8° | 60.1° |
| H21 | C17 | C18 | H23 | 59.2° | 60.0° |
| H21 | C17 | C18 | H24 | 179.2° | 180.0° |
| H21 | C17 | C19 | H25 | 61.0° | 60.0° |
| H21 | C17 | C19 | H26 | 179.0° | 60.0° |
| H21 | C17 | C19 | H27 | 59.0° | 180.0° |
| H22 | C18 | H23 | H24 | 120.0° | 120.0° |
| H25 | C19 | H26 | H27 | 120.0° | 120.0° |
| C20 | N3 | H28 | C16 | 180.0° | 179.9° |
| N3 | C20 | C21 | H29 | 119.5° | 120.0° |
| N3 | C20 | C21 | H30 | 119.5° | 120.0° |
| N3 | C20 | H29 | H30 | 121.4° | 120.0° |
| N3 | C20 | C21 | O5 | 59.0° | 0.0° |
| N3 | C20 | C21 | C22 | 108.2° | 180.0° |
| H28 | N3 | C20 | C21 | 50.3° | 0.0° |
| H28 | N3 | C20 | H29 | 169.9° | 120.0° |
| H28 | N3 | C20 | H30 | 69.2° | 120.1° |
| C21 | C20 | H29 | H30 | 121.4° | 120.0° |
| C20 | C21 | O5 | C22 | 167.5° | 179.9° |
| C20 | C21 | C22 | N4 | 109.9° | 180.0° |
| C20 | C21 | C22 | H31 | 70.1° | 0.0° |
| C21 | C20 | N3 | C16 | 129.6° | 180.0° |
| H29 | C20 | C21 | O5 | 178.5° | 120.0° |
| H29 | C20 | C21 | C22 | 11.3° | 60.0° |
| H29 | C20 | N3 | C16 | 10.1° | 60.0° |
| H30 | C20 | C21 | O5 | 60.5° | 120.0° |
| H30 | C20 | C21 | C22 | 132.2° | 59.9° |
| H30 | C20 | N3 | C16 | 110.8° | 60.0° |
| O5 | C21 | C22 | N4 | 57.5° | 0.0° |
| O5 | C21 | C22 | H31 | 122.5° | 180.0° |
| N4 | C22 | H31 | C21 | 180.0° | 180.0° |
| N5 | N4 | C22 | H31 | 90.0° | 141.1° |
| N5 | N4 | C22 | C21 | 90.0° | 38.9° |
