PRD_002390
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.19Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.44Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| O3 | C4 | doub | 1.21Å | 1.19Å | |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | O2 | sing | 1.36Å | 1.40Å | |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| O2 | H14 | sing | 0.97Å | 0.95Å | |
| N2 | C13 | sing | 1.46Å | 1.45Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | O4 | doub | 1.21Å | 1.19Å | |
| C15 | N3 | sing | 1.47Å | 1.45Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| N3 | H19 | sing | 1.01Å | 1.00Å | |
| N3 | H20 | sing | 1.01Å | 1.00Å | |
| N4 | C16 | sing | 1.46Å | 1.44Å | |
| N4 | H21 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.19Å | |
| N5 | C18 | sing | 1.46Å | 1.45Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | O6 | sing | 1.34Å | 1.40Å | |
| C21 | O7 | doub | 1.21Å | 1.18Å | |
| O6 | C22 | sing | 1.45Å | 1.40Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.44Å | |
| C4 | N2 | sing | 1.35Å | 1.44Å | |
| C14 | N4 | sing | 1.35Å | 1.43Å | |
| C17 | N5 | sing | 1.35Å | 1.44Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.4° | 120.0° |
| O1 | C1 | N1 | 120.1° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 118.6° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| N1 | C3 | C4 | 107.7° | 109.5° |
| N1 | C3 | C5 | 110.5° | 109.5° |
| C3 | N1 | H4 | 120.5° | 120.0° |
| N1 | C3 | H5 | 110.1° | 109.4° |
| C3 | N1 | C1 | 119.0° | 120.0° |
| C11 | C12 | C7 | 121.1° | 120.0° |
| C12 | C11 | C10 | 118.9° | 119.9° |
| C12 | C11 | H12 | 120.5° | 120.0° |
| C11 | C12 | H13 | 119.4° | 119.9° |
| C12 | C7 | C6 | 120.4° | 119.9° |
| C12 | C7 | C8 | 119.9° | 120.1° |
| C7 | C12 | H13 | 119.5° | 120.1° |
| O3 | C4 | C3 | 122.5° | 120.0° |
| O3 | C4 | N2 | 119.7° | 120.0° |
| C11 | C10 | O2 | 120.0° | 120.0° |
| C11 | C10 | C9 | 120.2° | 119.9° |
| C10 | C11 | H12 | 120.6° | 120.1° |
| C4 | C3 | C5 | 110.6° | 109.5° |
| C4 | C3 | H5 | 109.0° | 109.5° |
| C3 | C4 | N2 | 117.8° | 120.0° |
| C3 | C5 | C6 | 112.0° | 109.5° |
| C5 | C3 | H5 | 108.8° | 109.5° |
| C3 | C5 | H6 | 108.8° | 109.5° |
| C3 | C5 | H7 | 108.8° | 109.5° |
| C7 | C6 | C5 | 113.5° | 109.5° |
| C6 | C7 | C8 | 119.7° | 120.0° |
| C7 | C6 | H8 | 108.5° | 109.4° |
| C7 | C6 | H9 | 108.5° | 109.5° |
| C6 | C5 | H6 | 108.8° | 109.4° |
| C6 | C5 | H7 | 108.8° | 109.5° |
| C5 | C6 | H8 | 108.4° | 109.5° |
| C5 | C6 | H9 | 108.4° | 109.5° |
| C7 | C8 | C9 | 119.1° | 120.1° |
| C7 | C8 | H10 | 120.5° | 119.9° |
| O2 | C10 | C9 | 119.8° | 120.1° |
| C10 | O2 | H14 | 109.5° | 113.9° |
| C10 | C9 | C8 | 120.8° | 119.9° |
| C10 | C9 | H11 | 119.6° | 120.0° |
| C9 | C8 | H10 | 120.5° | 120.0° |
| C8 | C9 | H11 | 119.6° | 120.1° |
| H4 | N1 | C1 | 120.5° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| C13 | N2 | H15 | 119.3° | 120.0° |
| N2 | C13 | C14 | 104.8° | 109.5° |
| N2 | C13 | C15 | 110.8° | 109.5° |
| N2 | C13 | H16 | 111.4° | 109.5° |
| C13 | N2 | C4 | 121.4° | 120.0° |
| H15 | N2 | C4 | 119.3° | 120.0° |
| C14 | C13 | C15 | 108.9° | 109.4° |
| C14 | C13 | H16 | 110.5° | 109.5° |
| C13 | C14 | O4 | 124.5° | 120.0° |
| C13 | C14 | N4 | 115.8° | 120.0° |
| C15 | C13 | H16 | 110.3° | 109.5° |
| C13 | C15 | N3 | 108.3° | 109.5° |
| C13 | C15 | H17 | 109.8° | 109.5° |
| C13 | C15 | H18 | 109.8° | 109.4° |
| O4 | C14 | N4 | 119.6° | 120.0° |
| N3 | C15 | H17 | 109.8° | 109.5° |
| N3 | C15 | H18 | 109.8° | 109.4° |
| C15 | N3 | H19 | 109.5° | 111.0° |
| C15 | N3 | H20 | 109.5° | 111.0° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H19 | N3 | H20 | 109.4° | 110.9° |
| C16 | N4 | H21 | 120.5° | 120.1° |
| N4 | C16 | C17 | 110.8° | 109.4° |
| N4 | C16 | H22 | 109.2° | 109.5° |
| N4 | C16 | H23 | 109.1° | 109.5° |
| C16 | N4 | C14 | 119.0° | 120.0° |
| H21 | N4 | C14 | 120.5° | 120.0° |
| C17 | C16 | H22 | 109.1° | 109.4° |
| C17 | C16 | H23 | 109.2° | 109.5° |
| C16 | C17 | O5 | 122.4° | 120.0° |
| C16 | C17 | N5 | 115.3° | 120.0° |
| H22 | C16 | H23 | 109.4° | 109.5° |
| O5 | C17 | N5 | 122.3° | 120.0° |
| C18 | N5 | H24 | 117.1° | 120.0° |
| N5 | C18 | C19 | 96.3° | 109.5° |
| N5 | C18 | H25 | 112.7° | 109.4° |
| N5 | C18 | H26 | 112.7° | 109.5° |
| C18 | N5 | C17 | 125.8° | 120.1° |
| H24 | N5 | C17 | 117.1° | 119.9° |
| C19 | C18 | H25 | 112.7° | 109.5° |
| C19 | C18 | H26 | 112.6° | 109.5° |
| C18 | C19 | C20 | 122.6° | 109.5° |
| C18 | C19 | H27 | 106.1° | 109.5° |
| C18 | C19 | H28 | 106.1° | 109.4° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| C20 | C19 | H27 | 106.1° | 109.5° |
| C20 | C19 | H28 | 106.1° | 109.5° |
| C19 | C20 | C21 | 114.4° | 109.5° |
| C19 | C20 | H29 | 108.2° | 109.4° |
| C19 | C20 | H30 | 108.2° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| C21 | C20 | H29 | 108.2° | 109.4° |
| C21 | C20 | H30 | 108.2° | 109.5° |
| C20 | C21 | O6 | 123.5° | 120.0° |
| C20 | C21 | O7 | 115.0° | 120.0° |
| H29 | C20 | H30 | 109.5° | 109.5° |
| O6 | C21 | O7 | 121.5° | 120.0° |
| C21 | O6 | C22 | 112.9° | 117.0° |
| O6 | C22 | H31 | 109.5° | 109.5° |
| O6 | C22 | H32 | 109.5° | 109.5° |
| O6 | C22 | H33 | 109.4° | 109.5° |
| H31 | C22 | H32 | 109.5° | 109.5° |
| H31 | C22 | H33 | 109.5° | 109.4° |
| H32 | C22 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.7° | 179.8° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 119.9° |
| O1 | C1 | N1 | C3 | 0.1° | 0.0° |
| O1 | C1 | N1 | H4 | 179.9° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 119.9° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 179.6° | 179.7° |
| C2 | C1 | N1 | H4 | 0.4° | 0.3° |
| H1 | C2 | H2 | H3 | 119.9° | 120.0° |
| H1 | C2 | C1 | N1 | 179.7° | 179.8° |
| H2 | C2 | C1 | N1 | 60.3° | 59.7° |
| H3 | C2 | C1 | N1 | 59.7° | 60.3° |
| N1 | C3 | C4 | O3 | 14.1° | 20.0° |
| N1 | C3 | C4 | C5 | 120.9° | 120.0° |
| N1 | C3 | C4 | H5 | 119.5° | 120.0° |
| N1 | C3 | C5 | H5 | 121.1° | 120.0° |
| N1 | C3 | C5 | C6 | 54.3° | 65.0° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C5 | H6 | 66.0° | 55.0° |
| N1 | C3 | C5 | H7 | 174.7° | 175.0° |
| N1 | C3 | C4 | N2 | 163.9° | 160.0° |
| C11 | C12 | C7 | H13 | 180.0° | 179.4° |
| C12 | C11 | C10 | H12 | 180.0° | 179.6° |
| C11 | C12 | C7 | C6 | 179.7° | 179.7° |
| C11 | C12 | C7 | C8 | 0.7° | 0.6° |
| C12 | C11 | C10 | O2 | 179.8° | 179.8° |
| C12 | C11 | C10 | C9 | 0.6° | 0.3° |
| C7 | C12 | C11 | C10 | 0.1° | 0.6° |
| C12 | C7 | C6 | C8 | 179.0° | 179.7° |
| C12 | C7 | C6 | C5 | 122.7° | 90.3° |
| C12 | C7 | C8 | C9 | 1.0° | 0.3° |
| C12 | C7 | C6 | H8 | 116.8° | 149.7° |
| C12 | C7 | C6 | H9 | 2.1° | 29.7° |
| C12 | C7 | C8 | H10 | 179.0° | 179.8° |
| C7 | C12 | C11 | H12 | 179.9° | 179.8° |
| O3 | C4 | C3 | N2 | 178.1° | 179.9° |
| O3 | C4 | C3 | C5 | 106.7° | 100.0° |
| O3 | C4 | C3 | H5 | 133.6° | 139.9° |
| O3 | C4 | N2 | C13 | 1.3° | 0.1° |
| O3 | C4 | N2 | H15 | 178.7° | 180.0° |
| C11 | C10 | O2 | C9 | 179.2° | 179.9° |
| C11 | C10 | C9 | C8 | 0.3° | 0.1° |
| C11 | C10 | C9 | H11 | 179.7° | 180.0° |
| C10 | C11 | C12 | H13 | 179.9° | 180.0° |
| C11 | C10 | O2 | H14 | 180.0° | 90.1° |
| C4 | C3 | C5 | H5 | 119.8° | 120.0° |
| C4 | C3 | C5 | C6 | 173.5° | 175.0° |
| C4 | C3 | N1 | H4 | 75.6° | 120.0° |
| C4 | C3 | C5 | H6 | 53.1° | 65.0° |
| C4 | C3 | C5 | H7 | 66.1° | 55.0° |
| C3 | C4 | N2 | C13 | 179.4° | 180.0° |
| C3 | C4 | N2 | H15 | 0.6° | 0.0° |
| C4 | C3 | N1 | C1 | 104.4° | 60.0° |
| C3 | C5 | C6 | C7 | 60.8° | 179.9° |
| C3 | C5 | C6 | H6 | 120.4° | 120.0° |
| C3 | C5 | C6 | H7 | 120.4° | 120.0° |
| C5 | C3 | N1 | H4 | 45.4° | 120.0° |
| C3 | C5 | H6 | H7 | 118.8° | 120.0° |
| C3 | C5 | C6 | H8 | 178.7° | 60.0° |
| C3 | C5 | C6 | H9 | 59.8° | 60.0° |
| C5 | C3 | N1 | C1 | 134.7° | 60.0° |
| C5 | C3 | C4 | N2 | 75.2° | 80.0° |
| C7 | C6 | C5 | H8 | 120.6° | 119.9° |
| C7 | C6 | C5 | H9 | 120.6° | 120.1° |
| C6 | C7 | C8 | C9 | 179.9° | 180.0° |
| C7 | C6 | C5 | H6 | 178.8° | 60.1° |
| C7 | C6 | C5 | H7 | 59.6° | 59.9° |
| C7 | C6 | H8 | H9 | 118.2° | 120.0° |
| C6 | C7 | C8 | H10 | 0.0° | 0.1° |
| C6 | C7 | C12 | H13 | 0.2° | 0.3° |
| C5 | C6 | C7 | C8 | 58.3° | 90.0° |
| C6 | C5 | C3 | H5 | 66.7° | 55.0° |
| C6 | C5 | H6 | H7 | 118.8° | 120.0° |
| C5 | C6 | H8 | H9 | 118.2° | 120.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.1° |
| C7 | C8 | C9 | H10 | 180.0° | 179.9° |
| C8 | C7 | C6 | H8 | 62.2° | 30.0° |
| C8 | C7 | C6 | H9 | 178.9° | 150.0° |
| C7 | C8 | C9 | H11 | 179.5° | 180.0° |
| C8 | C7 | C12 | H13 | 179.3° | 180.0° |
| O2 | C10 | C9 | C8 | 179.5° | 180.0° |
| O2 | C10 | C9 | H11 | 0.5° | 0.0° |
| O2 | C10 | C11 | H12 | 0.2° | 0.1° |
| C10 | C9 | C8 | H11 | 180.0° | 180.0° |
| C10 | C9 | C8 | H10 | 179.5° | 179.9° |
| C9 | C10 | C11 | H12 | 179.4° | 179.9° |
| C9 | C10 | O2 | H14 | 0.8° | 90.0° |
| H4 | N1 | C3 | H5 | 165.7° | 0.0° |
| H5 | C3 | C5 | H6 | 172.9° | 175.0° |
| H5 | C3 | C5 | H7 | 53.6° | 65.0° |
| H5 | C3 | N1 | C1 | 14.3° | 180.0° |
| H5 | C3 | C4 | N2 | 44.5° | 40.0° |
| H6 | C5 | C6 | H8 | 58.3° | 180.0° |
| H6 | C5 | C6 | H9 | 60.6° | 60.0° |
| H7 | C5 | C6 | H8 | 61.0° | 60.0° |
| H7 | C5 | C6 | H9 | 179.8° | 180.0° |
| H10 | C8 | C9 | H11 | 0.5° | 0.1° |
| H12 | C11 | C12 | H13 | 0.1° | 0.4° |
| C13 | N2 | H15 | C4 | 180.0° | 180.0° |
| N2 | C13 | C14 | C15 | 118.6° | 120.0° |
| N2 | C13 | C14 | H16 | 120.2° | 120.0° |
| N2 | C13 | C15 | H16 | 123.9° | 120.0° |
| N2 | C13 | C14 | O4 | 97.5° | 0.0° |
| N2 | C13 | C15 | N3 | 72.5° | 55.0° |
| N2 | C13 | C15 | H17 | 47.3° | 65.0° |
| N2 | C13 | C15 | H18 | 167.7° | 175.0° |
| N2 | C13 | C14 | N4 | 83.1° | 180.0° |
| H15 | N2 | C13 | C14 | 43.5° | 25.0° |
| H15 | N2 | C13 | C15 | 73.7° | 95.0° |
| H15 | N2 | C13 | H16 | 163.0° | 145.0° |
| C14 | C13 | C15 | H16 | 121.3° | 120.0° |
| C13 | C14 | O4 | N4 | 179.4° | 179.9° |
| C14 | C13 | C15 | N3 | 172.8° | 175.0° |
| C14 | C13 | C15 | H17 | 67.4° | 55.0° |
| C14 | C13 | C15 | H18 | 52.9° | 65.0° |
| C13 | C14 | N4 | C16 | 178.6° | 180.0° |
| C13 | C14 | N4 | H21 | 1.3° | 0.1° |
| C14 | C13 | N2 | C4 | 136.4° | 155.0° |
| C15 | C13 | C14 | O4 | 21.1° | 120.0° |
| C13 | C15 | N3 | H17 | 119.8° | 120.0° |
| C13 | C15 | N3 | H18 | 119.8° | 120.0° |
| C13 | C15 | H17 | H18 | 120.6° | 120.0° |
| C13 | C15 | N3 | H19 | 180.0° | 56.1° |
| C13 | C15 | N3 | H20 | 60.0° | 180.0° |
| C15 | C13 | N2 | C4 | 106.3° | 85.0° |
| C15 | C13 | C14 | N4 | 158.2° | 60.0° |
| H16 | C13 | C14 | O4 | 142.4° | 120.0° |
| H16 | C13 | C15 | N3 | 51.4° | 65.0° |
| H16 | C13 | C15 | H17 | 171.2° | 175.0° |
| H16 | C13 | C15 | H18 | 68.4° | 55.0° |
| H16 | C13 | N2 | C4 | 16.9° | 35.0° |
| H16 | C13 | C14 | N4 | 37.0° | 59.9° |
| O4 | C14 | N4 | C16 | 1.9° | 0.1° |
| O4 | C14 | N4 | H21 | 178.1° | 180.0° |
| N3 | C15 | H17 | H18 | 120.5° | 120.0° |
| C15 | N3 | H19 | H20 | 120.0° | 123.9° |
| H17 | C15 | N3 | H19 | 60.2° | 63.9° |
| H17 | C15 | N3 | H20 | 179.8° | 59.9° |
| H18 | C15 | N3 | H19 | 60.2° | 176.0° |
| H18 | C15 | N3 | H20 | 59.8° | 60.1° |
| C16 | N4 | H21 | C14 | 180.0° | 180.0° |
| N4 | C16 | C17 | H22 | 120.2° | 120.0° |
| N4 | C16 | C17 | H23 | 120.2° | 120.0° |
| N4 | C16 | H22 | H23 | 119.4° | 120.1° |
| N4 | C16 | C17 | O5 | 28.4° | 0.0° |
| N4 | C16 | C17 | N5 | 150.9° | 180.0° |
| H21 | N4 | C16 | C17 | 72.6° | 0.0° |
| H21 | N4 | C16 | H22 | 167.1° | 120.0° |
| H21 | N4 | C16 | H23 | 47.6° | 120.0° |
| C17 | C16 | H22 | H23 | 119.4° | 120.0° |
| C16 | C17 | O5 | N5 | 179.3° | 180.0° |
| C16 | C17 | N5 | C18 | 179.2° | 180.0° |
| C16 | C17 | N5 | H24 | 0.7° | 0.0° |
| C17 | C16 | N4 | C14 | 107.4° | 180.0° |
| H22 | C16 | C17 | O5 | 148.7° | 120.0° |
| H22 | C16 | N4 | C14 | 12.8° | 60.0° |
| H22 | C16 | C17 | N5 | 30.7° | 60.0° |
| H23 | C16 | C17 | O5 | 91.8° | 120.0° |
| H23 | C16 | N4 | C14 | 132.4° | 60.0° |
| H23 | C16 | C17 | N5 | 88.9° | 60.0° |
| O5 | C17 | N5 | C18 | 1.4° | 0.0° |
| O5 | C17 | N5 | H24 | 178.6° | 180.0° |
| C18 | N5 | H24 | C17 | 180.0° | 180.0° |
| N5 | C18 | C19 | H25 | 117.8° | 120.0° |
| N5 | C18 | C19 | H26 | 117.8° | 120.0° |
| N5 | C18 | H25 | H26 | 126.2° | 119.9° |
| N5 | C18 | C19 | C20 | 111.3° | 180.0° |
| N5 | C18 | C19 | H27 | 10.5° | 60.0° |
| N5 | C18 | C19 | H28 | 126.9° | 60.0° |
| H24 | N5 | C18 | C19 | 57.0° | 0.0° |
| H24 | N5 | C18 | H25 | 174.8° | 120.0° |
| H24 | N5 | C18 | H26 | 60.7° | 120.0° |
| C19 | C18 | H25 | H26 | 126.2° | 120.0° |
| C18 | C19 | C20 | H27 | 121.8° | 120.0° |
| C18 | C19 | C20 | H28 | 121.8° | 120.0° |
| C18 | C19 | H27 | H28 | 114.1° | 120.0° |
| C18 | C19 | C20 | C21 | 8.4° | 179.9° |
| C18 | C19 | C20 | H29 | 112.3° | 60.0° |
| C18 | C19 | C20 | H30 | 129.1° | 60.0° |
| C19 | C18 | N5 | C17 | 123.0° | 180.0° |
| H25 | C18 | C19 | C20 | 130.9° | 60.0° |
| H25 | C18 | C19 | H27 | 107.3° | 180.0° |
| H25 | C18 | C19 | H28 | 9.1° | 60.0° |
| H25 | C18 | N5 | C17 | 5.2° | 60.0° |
| H26 | C18 | C19 | C20 | 6.5° | 60.0° |
| H26 | C18 | C19 | H27 | 128.3° | 60.0° |
| H26 | C18 | C19 | H28 | 115.3° | 180.0° |
| H26 | C18 | N5 | C17 | 119.3° | 59.9° |
| C20 | C19 | H27 | H28 | 114.1° | 120.0° |
| C19 | C20 | C21 | H29 | 120.8° | 119.9° |
| C19 | C20 | C21 | H30 | 120.7° | 120.0° |
| C19 | C20 | H29 | H30 | 117.7° | 120.0° |
| C19 | C20 | C21 | O6 | 93.3° | 180.0° |
| C19 | C20 | C21 | O7 | 87.6° | 0.1° |
| H27 | C19 | C20 | C21 | 130.2° | 60.0° |
| H27 | C19 | C20 | H29 | 9.5° | 180.0° |
| H27 | C19 | C20 | H30 | 109.0° | 60.0° |
| H28 | C19 | C20 | C21 | 113.4° | 60.0° |
| H28 | C19 | C20 | H29 | 125.9° | 59.9° |
| H28 | C19 | C20 | H30 | 7.3° | 180.0° |
| C21 | C20 | H29 | H30 | 117.7° | 120.1° |
| C20 | C21 | O6 | O7 | 179.0° | 179.9° |
| C20 | C21 | O6 | C22 | 155.1° | 179.9° |
| H29 | C20 | C21 | O6 | 27.4° | 60.1° |
| H29 | C20 | C21 | O7 | 151.7° | 120.0° |
| H30 | C20 | C21 | O6 | 146.0° | 60.0° |
| H30 | C20 | C21 | O7 | 33.1° | 119.9° |
| C21 | O6 | C22 | H31 | 180.0° | 179.9° |
| C21 | O6 | C22 | H32 | 60.0° | 60.0° |
| C21 | O6 | C22 | H33 | 60.0° | 60.0° |
| O7 | C21 | O6 | C22 | 23.9° | 0.1° |
| O6 | C22 | H31 | H32 | 120.0° | 120.0° |
| O6 | C22 | H31 | H33 | 120.0° | 120.0° |
| O6 | C22 | H32 | H33 | 120.0° | 120.0° |
| H31 | C22 | H32 | H33 | 120.0° | 119.9° |
