A1D51
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | N5 | sing | 1.22Å | 1.22Å | |
| C23 | C25 | sing | 1.53Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.49Å | |
| C23 | C20 | sing | 1.51Å | 1.49Å | |
| C25 | C24 | sing | 1.53Å | 1.47Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| N5 | C18 | sing | 1.48Å | 1.45Å | |
| N5 | O5 | doub | 1.22Å | 1.21Å | |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | N3 | sing | 1.39Å | 1.37Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C22 | C26 | sing | 1.47Å | 1.50Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| N3 | C16 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C16 | C11 | sing | 1.53Å | 1.53Å | |
| C26 | N4 | sing | 1.35Å | 1.33Å | |
| C26 | O3 | doub | 1.22Å | 1.23Å | |
| N4 | C27 | sing | 1.46Å | 1.45Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C10 | sing | 1.35Å | 1.34Å | |
| C10 | O2 | doub | 1.21Å | 1.23Å | |
| C10 | C9 | sing | 1.48Å | 1.51Å | |
| C8 | C9 | doub | 1.37Å | 1.38Å | |
| C8 | C7 | sing | 1.46Å | 1.45Å | |
| C9 | C4 | sing | 1.47Å | 1.43Å | |
| O1 | C7 | doub | 1.22Å | 1.25Å | |
| C7 | N1 | sing | 1.34Å | 1.36Å | |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.37Å | 1.36Å | Aromatic |
| N1 | C3 | sing | 1.38Å | 1.38Å | |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 1.01Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | N5 | C18 | 118.4° | 120.0° |
| O4 | N5 | O5 | 123.1° | 120.1° |
| C25 | C23 | C24 | 59.2° | 60.0° |
| C25 | C23 | C20 | 122.1° | 117.5° |
| C23 | C25 | C24 | 60.5° | 60.0° |
| C25 | C23 | H22 | 114.1° | 117.5° |
| C23 | C25 | H23 | 119.9° | 117.5° |
| C23 | C25 | H24 | 119.9° | 117.5° |
| C24 | C23 | C20 | 122.6° | 117.5° |
| C23 | C24 | C25 | 60.3° | 60.0° |
| C23 | C24 | H11 | 120.0° | 117.5° |
| C23 | C24 | H12 | 119.9° | 117.5° |
| C24 | C23 | H22 | 114.0° | 117.5° |
| C23 | C20 | C19 | 120.4° | 119.8° |
| C23 | C20 | C21 | 120.5° | 119.9° |
| C20 | C23 | H22 | 114.1° | 115.5° |
| C25 | C24 | H11 | 120.0° | 117.5° |
| C25 | C24 | H12 | 120.0° | 117.4° |
| C24 | C25 | H23 | 119.9° | 117.4° |
| C24 | C25 | H24 | 119.9° | 117.5° |
| C20 | C19 | C18 | 120.8° | 120.4° |
| C19 | C20 | C21 | 119.1° | 120.3° |
| C20 | C19 | H20 | 119.6° | 119.8° |
| C19 | C18 | N5 | 117.8° | 120.0° |
| C19 | C18 | C17 | 120.3° | 120.1° |
| C18 | C19 | H20 | 119.6° | 119.8° |
| C18 | N5 | O5 | 118.4° | 119.9° |
| N5 | C18 | C17 | 121.9° | 120.0° |
| C20 | C21 | C22 | 121.5° | 119.9° |
| C20 | C21 | H10 | 119.3° | 120.0° |
| C18 | C17 | C22 | 118.4° | 119.6° |
| C18 | C17 | N3 | 120.0° | 120.2° |
| C21 | C22 | C17 | 119.8° | 119.6° |
| C21 | C22 | C26 | 118.7° | 120.2° |
| C22 | C21 | H10 | 119.3° | 120.1° |
| C22 | C17 | N3 | 121.6° | 120.2° |
| C17 | C22 | C26 | 121.4° | 120.2° |
| C17 | N3 | C16 | 124.1° | 111.0° |
| C17 | N3 | H2 | 105.7° | 111.0° |
| C15 | C14 | C13 | 111.5° | 109.5° |
| C14 | C15 | C16 | 111.3° | 109.5° |
| C14 | C15 | H8 | 109.0° | 109.5° |
| C14 | C15 | H9 | 109.0° | 109.5° |
| C15 | C14 | H17 | 109.0° | 109.4° |
| C15 | C14 | H18 | 109.0° | 109.5° |
| C14 | C13 | C12 | 110.4° | 109.5° |
| C14 | C13 | H6 | 109.2° | 109.5° |
| C14 | C13 | H7 | 109.2° | 109.5° |
| C13 | C14 | H17 | 109.0° | 109.5° |
| C13 | C14 | H18 | 109.0° | 109.5° |
| C22 | C26 | N4 | 117.7° | 120.0° |
| C22 | C26 | O3 | 120.7° | 120.0° |
| C15 | C16 | N3 | 112.2° | 109.5° |
| C15 | C16 | C11 | 111.2° | 109.5° |
| C16 | C15 | H8 | 109.0° | 109.5° |
| C16 | C15 | H9 | 109.0° | 109.5° |
| C15 | C16 | H19 | 106.3° | 109.5° |
| N3 | C16 | C11 | 113.4° | 109.5° |
| C16 | N3 | H2 | 105.7° | 111.0° |
| N3 | C16 | H19 | 107.0° | 109.4° |
| C13 | C12 | C11 | 110.6° | 109.5° |
| C12 | C13 | H6 | 109.2° | 109.5° |
| C12 | C13 | H7 | 109.3° | 109.5° |
| C13 | C12 | H15 | 109.2° | 109.5° |
| C13 | C12 | H16 | 109.2° | 109.5° |
| C16 | C11 | C12 | 112.1° | 109.5° |
| C16 | C11 | N2 | 111.7° | 109.5° |
| C16 | C11 | H14 | 106.6° | 109.5° |
| C11 | C16 | H19 | 106.2° | 109.5° |
| N4 | C26 | O3 | 121.5° | 120.0° |
| C26 | N4 | C27 | 121.3° | 120.0° |
| C26 | N4 | H29 | 119.3° | 120.0° |
| N4 | C27 | H25 | 109.5° | 109.4° |
| N4 | C27 | H26 | 109.5° | 109.5° |
| N4 | C27 | H27 | 109.5° | 109.4° |
| C27 | N4 | H29 | 119.4° | 120.0° |
| C12 | C11 | N2 | 111.8° | 109.5° |
| C12 | C11 | H14 | 106.8° | 109.5° |
| C11 | C12 | H15 | 109.2° | 109.4° |
| C11 | C12 | H16 | 109.2° | 109.5° |
| C11 | N2 | C10 | 122.2° | 120.0° |
| N2 | C11 | H14 | 107.5° | 109.5° |
| C11 | N2 | H28 | 118.9° | 120.0° |
| N2 | C10 | O2 | 122.0° | 120.0° |
| N2 | C10 | C9 | 117.0° | 120.0° |
| C10 | N2 | H28 | 118.9° | 120.0° |
| O2 | C10 | C9 | 121.0° | 120.0° |
| C10 | C9 | C8 | 119.7° | 120.8° |
| C10 | C9 | C4 | 120.9° | 120.7° |
| C9 | C8 | C7 | 121.5° | 119.5° |
| C8 | C9 | C4 | 119.4° | 118.5° |
| C9 | C8 | H5 | 119.3° | 120.3° |
| C8 | C7 | O1 | 123.6° | 119.5° |
| C8 | C7 | N1 | 116.3° | 121.0° |
| C7 | C8 | H5 | 119.3° | 120.3° |
| C9 | C4 | C5 | 122.9° | 120.7° |
| C9 | C4 | C3 | 119.2° | 119.5° |
| O1 | C7 | N1 | 120.1° | 119.5° |
| C7 | N1 | C3 | 125.0° | 121.4° |
| C7 | N1 | H1 | 117.5° | 119.3° |
| C5 | C4 | C3 | 117.9° | 119.8° |
| C4 | C5 | C6 | 121.1° | 119.9° |
| C4 | C5 | H3 | 119.4° | 120.0° |
| C4 | C3 | N1 | 118.7° | 120.2° |
| C4 | C3 | C2 | 121.0° | 119.4° |
| C5 | C6 | C1 | 120.0° | 120.5° |
| C6 | C5 | H3 | 119.5° | 120.1° |
| C5 | C6 | H4 | 120.0° | 119.8° |
| N1 | C3 | C2 | 120.4° | 120.4° |
| C3 | N1 | H1 | 117.5° | 119.3° |
| C3 | C2 | C1 | 119.2° | 119.8° |
| C3 | C2 | H21 | 120.4° | 120.1° |
| C6 | C1 | C2 | 120.9° | 120.6° |
| C1 | C6 | H4 | 120.0° | 119.7° |
| C6 | C1 | H13 | 119.6° | 119.7° |
| C2 | C1 | H13 | 119.5° | 119.7° |
| C1 | C2 | H21 | 120.4° | 120.0° |
| H6 | C13 | H7 | 109.5° | 109.4° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 115.6° |
| H15 | C12 | H16 | 109.5° | 109.4° |
| H17 | C14 | H18 | 109.4° | 109.5° |
| H23 | C25 | H24 | 109.5° | 115.6° |
| H25 | C27 | H26 | 109.5° | 109.5° |
| H25 | C27 | H27 | 109.4° | 109.4° |
| H26 | C27 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | N5 | C18 | C19 | 8.0° | 173.9° |
| O4 | N5 | C18 | O5 | 177.3° | 180.0° |
| O4 | N5 | C18 | C17 | 172.1° | 6.1° |
| C25 | C23 | C24 | C20 | 110.7° | 107.5° |
| C25 | C23 | C24 | H22 | 104.8° | 107.5° |
| C25 | C23 | C20 | H22 | 143.8° | 145.6° |
| C23 | C25 | C24 | H23 | 109.6° | 107.5° |
| C23 | C25 | C24 | H24 | 109.6° | 107.5° |
| C25 | C23 | C20 | C19 | 144.0° | 59.4° |
| C25 | C23 | C20 | C21 | 35.5° | 119.9° |
| C25 | C23 | C24 | H11 | 109.6° | 107.5° |
| C25 | C23 | C24 | H12 | 109.6° | 107.4° |
| C23 | C25 | H23 | H24 | 144.4° | 145.7° |
| C24 | C23 | C20 | H22 | 144.6° | 145.7° |
| C24 | C23 | C20 | C19 | 144.4° | 9.2° |
| C24 | C23 | C20 | C21 | 36.1° | 171.4° |
| C23 | C24 | H11 | H12 | 144.6° | 145.7° |
| C23 | C20 | C19 | C21 | 179.5° | 179.4° |
| C23 | C20 | C19 | C18 | 179.9° | 179.7° |
| C23 | C20 | C21 | C22 | 179.4° | 180.0° |
| C23 | C20 | C21 | H10 | 0.6° | 0.6° |
| C20 | C23 | C24 | H11 | 139.8° | 145.0° |
| C20 | C23 | C24 | H12 | 1.1° | 0.0° |
| C23 | C20 | C19 | H20 | 0.0° | 0.6° |
| C20 | C23 | C25 | H23 | 1.9° | 145.0° |
| C20 | C23 | C25 | H24 | 138.9° | 0.0° |
| C25 | C24 | H11 | H12 | 144.6° | 145.7° |
| C24 | C25 | H23 | H24 | 144.5° | 145.7° |
| C20 | C19 | C18 | H20 | 180.0° | 179.7° |
| C20 | C19 | C18 | N5 | 179.5° | 180.0° |
| C20 | C19 | C18 | C17 | 0.4° | 0.0° |
| C19 | C20 | C21 | C22 | 1.0° | 0.6° |
| C19 | C20 | C21 | H10 | 179.0° | 180.0° |
| C19 | C20 | C23 | H22 | 0.2° | 154.9° |
| C19 | C18 | N5 | C17 | 179.9° | 180.0° |
| C19 | C18 | N5 | O5 | 169.3° | 6.1° |
| C18 | C19 | C20 | C21 | 0.4° | 0.3° |
| C19 | C18 | C17 | C22 | 1.0° | 0.0° |
| C19 | C18 | C17 | N3 | 179.7° | 179.7° |
| N5 | C18 | C17 | C22 | 178.9° | 180.0° |
| N5 | C18 | C17 | N3 | 0.4° | 0.3° |
| N5 | C18 | C19 | H20 | 0.5° | 0.2° |
| O5 | N5 | C18 | C17 | 10.6° | 173.9° |
| C20 | C21 | C22 | H10 | 180.0° | 179.4° |
| C20 | C21 | C22 | C17 | 1.6° | 0.6° |
| C20 | C21 | C22 | C26 | 179.2° | 179.5° |
| C21 | C20 | C19 | H20 | 179.6° | 180.0° |
| C21 | C20 | C23 | H22 | 179.4° | 25.7° |
| C18 | C17 | C22 | C21 | 1.6° | 0.3° |
| C18 | C17 | C22 | N3 | 179.3° | 179.6° |
| C18 | C17 | C22 | C26 | 179.2° | 179.8° |
| C18 | C17 | N3 | C16 | 113.5° | 100.8° |
| C18 | C17 | N3 | H2 | 124.5° | 135.2° |
| C17 | C18 | C19 | H20 | 179.6° | 179.7° |
| C21 | C22 | C17 | C26 | 179.2° | 179.9° |
| C21 | C22 | C17 | N3 | 179.1° | 180.0° |
| C21 | C22 | C26 | N4 | 37.4° | 4.5° |
| C21 | C22 | C26 | O3 | 139.8° | 175.4° |
| C22 | C17 | N3 | C16 | 67.2° | 78.8° |
| C17 | C22 | C26 | N4 | 141.8° | 175.4° |
| C17 | C22 | C26 | O3 | 41.0° | 4.6° |
| C22 | C17 | N3 | H2 | 54.8° | 45.1° |
| C17 | C22 | C21 | H10 | 178.4° | 180.0° |
| N3 | C17 | C22 | C26 | 0.1° | 0.1° |
| C17 | N3 | C16 | C15 | 76.0° | 81.6° |
| C17 | N3 | C16 | H2 | 122.0° | 123.9° |
| C17 | N3 | C16 | C11 | 157.0° | 158.4° |
| C17 | N3 | C16 | H19 | 40.2° | 38.3° |
| C15 | C14 | C13 | H17 | 120.3° | 120.0° |
| C15 | C14 | C13 | H18 | 120.3° | 120.0° |
| C14 | C15 | C16 | H8 | 120.3° | 120.0° |
| C14 | C15 | C16 | H9 | 120.3° | 120.0° |
| C14 | C15 | C16 | N3 | 75.0° | 180.0° |
| C15 | C14 | C13 | C12 | 57.7° | 60.0° |
| C14 | C15 | C16 | C11 | 53.1° | 60.0° |
| C15 | C14 | C13 | H6 | 177.8° | 180.0° |
| C15 | C14 | C13 | H7 | 62.5° | 60.0° |
| C14 | C15 | H8 | H9 | 119.1° | 120.0° |
| C15 | C14 | H17 | H18 | 119.1° | 120.0° |
| C14 | C15 | C16 | H19 | 168.3° | 60.0° |
| C13 | C14 | C15 | C16 | 55.8° | 60.0° |
| C14 | C13 | C12 | H6 | 120.1° | 120.1° |
| C14 | C13 | C12 | H7 | 120.2° | 120.0° |
| C14 | C13 | C12 | C11 | 57.2° | 60.0° |
| C14 | C13 | H6 | H7 | 119.6° | 120.0° |
| C13 | C14 | C15 | H8 | 64.5° | 180.0° |
| C13 | C14 | C15 | H9 | 176.1° | 60.0° |
| C14 | C13 | C12 | H15 | 62.9° | 180.0° |
| C14 | C13 | C12 | H16 | 177.4° | 60.0° |
| C13 | C14 | H17 | H18 | 119.1° | 120.0° |
| C22 | C26 | N4 | O3 | 177.2° | 180.0° |
| C22 | C26 | N4 | C27 | 177.9° | 179.9° |
| C26 | C22 | C21 | H10 | 0.9° | 0.1° |
| C22 | C26 | N4 | H29 | 2.1° | 0.0° |
| C15 | C16 | N3 | C11 | 127.0° | 120.0° |
| C15 | C16 | N3 | H19 | 116.2° | 120.0° |
| C15 | C16 | C11 | H19 | 115.2° | 120.0° |
| C15 | C16 | C11 | C12 | 53.6° | 60.0° |
| C15 | C16 | C11 | N2 | 180.0° | 60.0° |
| C15 | C16 | N3 | H2 | 162.0° | 154.4° |
| C16 | C15 | H8 | H9 | 119.2° | 120.0° |
| C15 | C16 | C11 | H14 | 62.9° | 180.0° |
| C16 | C15 | C14 | H17 | 64.5° | 60.0° |
| C16 | C15 | C14 | H18 | 176.1° | 180.0° |
| N3 | C16 | C11 | H19 | 117.2° | 120.0° |
| N3 | C16 | C11 | C12 | 73.9° | 180.0° |
| N3 | C16 | C11 | N2 | 52.4° | 60.0° |
| N3 | C16 | C15 | H8 | 164.7° | 60.0° |
| N3 | C16 | C15 | H9 | 45.3° | 60.0° |
| N3 | C16 | C11 | H14 | 169.6° | 60.0° |
| C13 | C12 | C11 | C16 | 55.6° | 60.0° |
| C13 | C12 | C11 | H15 | 120.2° | 120.1° |
| C13 | C12 | C11 | H16 | 120.2° | 120.0° |
| C13 | C12 | C11 | N2 | 178.1° | 60.0° |
| C12 | C13 | H6 | H7 | 119.6° | 120.0° |
| C13 | C12 | C11 | H14 | 60.7° | 180.0° |
| C13 | C12 | H15 | H16 | 119.4° | 120.0° |
| C12 | C13 | C14 | H17 | 62.6° | 60.0° |
| C12 | C13 | C14 | H18 | 178.0° | 180.0° |
| C16 | C11 | C12 | N2 | 126.3° | 120.0° |
| C16 | C11 | C12 | H14 | 116.4° | 120.0° |
| C16 | C11 | N2 | H14 | 116.6° | 120.0° |
| C16 | C11 | N2 | C10 | 130.3° | 155.0° |
| C11 | C16 | N3 | H2 | 35.0° | 34.4° |
| C11 | C16 | C15 | H8 | 67.1° | 180.0° |
| C11 | C16 | C15 | H9 | 173.4° | 60.0° |
| C16 | C11 | C12 | H15 | 64.5° | 180.0° |
| C16 | C11 | C12 | H16 | 175.8° | 60.0° |
| C16 | C11 | N2 | H28 | 49.7° | 25.0° |
| C26 | N4 | C27 | H29 | 180.0° | 179.9° |
| C26 | N4 | C27 | H25 | 180.0° | 60.1° |
| C26 | N4 | C27 | H26 | 60.0° | 60.0° |
| C26 | N4 | C27 | H27 | 60.0° | 180.0° |
| O3 | C26 | N4 | C27 | 4.9° | 0.1° |
| O3 | C26 | N4 | H29 | 175.1° | 180.0° |
| N4 | C27 | H25 | H26 | 120.0° | 120.1° |
| N4 | C27 | H25 | H27 | 120.0° | 119.9° |
| N4 | C27 | H26 | H27 | 120.0° | 120.0° |
| C12 | C11 | N2 | H14 | 116.9° | 120.0° |
| C12 | C11 | N2 | C10 | 103.2° | 85.0° |
| C11 | C12 | C13 | H6 | 177.4° | 180.0° |
| C11 | C12 | C13 | H7 | 62.9° | 60.0° |
| C11 | C12 | H15 | H16 | 119.5° | 120.0° |
| C12 | C11 | C16 | H19 | 168.8° | 60.0° |
| C12 | C11 | N2 | H28 | 76.8° | 95.0° |
| C11 | N2 | C10 | H28 | 180.0° | 180.0° |
| C11 | N2 | C10 | O2 | 18.6° | 5.0° |
| C11 | N2 | C10 | C9 | 161.1° | 174.8° |
| N2 | C11 | C12 | H15 | 61.8° | 60.0° |
| N2 | C11 | C12 | H16 | 57.9° | 180.0° |
| N2 | C11 | C16 | H19 | 64.8° | 180.0° |
| N2 | C10 | O2 | C9 | 179.7° | 179.9° |
| N2 | C10 | C9 | C8 | 49.1° | 5.8° |
| N2 | C10 | C9 | C4 | 128.8° | 174.4° |
| C10 | N2 | C11 | H14 | 13.7° | 35.0° |
| O2 | C10 | C9 | C8 | 131.2° | 174.3° |
| O2 | C10 | C9 | C4 | 51.0° | 5.5° |
| O2 | C10 | N2 | H28 | 161.4° | 174.9° |
| C10 | C9 | C8 | C4 | 177.9° | 179.7° |
| C10 | C9 | C8 | C7 | 180.0° | 180.0° |
| C10 | C9 | C4 | C5 | 1.2° | 0.2° |
| C10 | C9 | C4 | C3 | 179.5° | 179.8° |
| C10 | C9 | C8 | H5 | 0.1° | 0.0° |
| C9 | C10 | N2 | H28 | 18.8° | 5.2° |
| C9 | C8 | C7 | H5 | 180.0° | 180.0° |
| C9 | C8 | C7 | O1 | 179.1° | 180.0° |
| C9 | C8 | C7 | N1 | 1.6° | 0.1° |
| C8 | C9 | C4 | C5 | 179.0° | 180.0° |
| C8 | C9 | C4 | C3 | 1.7° | 0.5° |
| C7 | C8 | C9 | C4 | 2.2° | 0.3° |
| C8 | C7 | O1 | N1 | 179.3° | 179.9° |
| C8 | C7 | N1 | C3 | 0.5° | 0.1° |
| C8 | C7 | N1 | H1 | 179.5° | 179.8° |
| C9 | C4 | C5 | C3 | 179.3° | 179.5° |
| C9 | C4 | C5 | C6 | 179.3° | 179.5° |
| C9 | C4 | C3 | N1 | 0.7° | 0.5° |
| C9 | C4 | C3 | C2 | 179.3° | 179.5° |
| C9 | C4 | C5 | H3 | 0.7° | 0.5° |
| C4 | C9 | C8 | H5 | 177.8° | 179.7° |
| O1 | C7 | N1 | C3 | 179.8° | 180.0° |
| O1 | C7 | N1 | H1 | 0.2° | 0.3° |
| O1 | C7 | C8 | H5 | 0.9° | 0.0° |
| C7 | N1 | C3 | C4 | 0.1° | 0.3° |
| C7 | N1 | C3 | H1 | 180.0° | 179.7° |
| C7 | N1 | C3 | C2 | 179.9° | 179.7° |
| N1 | C7 | C8 | H5 | 178.4° | 179.9° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C5 | C4 | C3 | N1 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.0° |
| C4 | C5 | C6 | H4 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | N1 | C2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.1° |
| C4 | C3 | N1 | H1 | 179.9° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H21 | 180.0° | 180.0° |
| C5 | C6 | C1 | H4 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C5 | C6 | C1 | H13 | 179.8° | 180.0° |
| N1 | C3 | C2 | C1 | 180.0° | 179.9° |
| N1 | C3 | C2 | H21 | 0.0° | 0.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C3 | C2 | C1 | H21 | 180.0° | 180.0° |
| C2 | C3 | N1 | H1 | 0.1° | 0.0° |
| C3 | C2 | C1 | H13 | 179.9° | 180.0° |
| C6 | C1 | C2 | H13 | 180.0° | 180.0° |
| C1 | C6 | C5 | H3 | 179.9° | 180.0° |
| C6 | C1 | C2 | H21 | 179.9° | 180.0° |
| C2 | C1 | C6 | H4 | 179.9° | 180.0° |
| H2 | N3 | C16 | H19 | 81.7° | 85.6° |
| H3 | C5 | C6 | H4 | 0.1° | 0.0° |
| H4 | C6 | C1 | H13 | 0.1° | 0.1° |
| H6 | C13 | C12 | H15 | 57.2° | 60.0° |
| H6 | C13 | C12 | H16 | 62.4° | 60.0° |
| H6 | C13 | C14 | H17 | 57.5° | 60.1° |
| H6 | C13 | C14 | H18 | 61.9° | 59.9° |
| H7 | C13 | C12 | H15 | 176.9° | 60.0° |
| H7 | C13 | C12 | H16 | 57.3° | 180.0° |
| H7 | C13 | C14 | H17 | 177.2° | NaN° |
| H7 | C13 | C14 | H18 | 57.8° | 60.0° |
| H8 | C15 | C14 | H17 | 175.2° | 60.0° |
| H8 | C15 | C14 | H18 | 55.9° | 60.0° |
| H8 | C15 | C16 | H19 | 48.0° | 60.0° |
| H9 | C15 | C14 | H17 | 55.8° | 180.0° |
| H9 | C15 | C14 | H18 | 63.6° | 60.0° |
| H9 | C15 | C16 | H19 | 71.4° | 180.0° |
| H11 | C24 | C23 | H22 | 4.8° | 0.0° |
| H11 | C24 | C25 | H23 | 140.9° | 0.0° |
| H11 | C24 | C25 | H24 | 0.0° | 145.1° |
| H12 | C24 | C23 | H22 | 145.7° | 145.0° |
| H12 | C24 | C25 | H23 | 0.1° | 145.1° |
| H12 | C24 | C25 | H24 | 140.9° | 0.0° |
| H13 | C1 | C2 | H21 | 0.1° | 0.0° |
| H14 | C11 | C12 | H15 | 179.1° | 60.0° |
| H14 | C11 | C12 | H16 | 59.4° | 60.0° |
| H14 | C11 | C16 | H19 | 52.4° | 60.0° |
| H14 | C11 | N2 | H28 | 166.3° | 145.0° |
| H22 | C23 | C25 | H23 | 145.7° | 0.1° |
| H22 | C23 | C25 | H24 | 5.0° | 145.0° |
| H25 | C27 | H26 | H27 | 120.0° | 120.0° |
| H25 | C27 | N4 | H29 | 0.0° | 120.0° |
| H26 | C27 | N4 | H29 | 120.0° | 119.9° |
| H27 | C27 | N4 | H29 | 120.0° | 0.1° |
