XOD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C7 | sing | 1.43Å | 1.40Å | |
| C7 | C1 | sing | 1.53Å | 1.53Å | |
| O5 | C2 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C1 | C6 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.40Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| N4 | C23 | doub | 1.32Å | 1.33Å | Aromatic |
| N4 | C20 | sing | 1.33Å | 1.32Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C13 | N2 | sing | 1.46Å | 1.45Å | |
| C8 | N1 | sing | 1.47Å | 1.45Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| N2 | C14 | sing | 1.39Å | 1.46Å | |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C20 | sing | 1.48Å | 1.54Å | |
| C17 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | N3 | doub | 1.33Å | 1.32Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | N5 | sing | 1.48Å | 1.44Å | |
| N3 | C21 | sing | 1.32Å | 1.33Å | Aromatic |
| O7 | N5 | sing | 1.22Å | 1.40Å | |
| N5 | O6 | doub | 1.22Å | 1.40Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| N2 | H29 | sing | 0.97Å | 1.00Å | |
| O1 | H30 | sing | 0.97Å | 0.95Å | |
| O2 | H31 | sing | 0.97Å | 0.95Å | |
| O3 | H32 | sing | 0.97Å | 0.95Å | |
| O4 | H33 | sing | 0.97Å | 0.95Å | |
| O5 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C7 | C1 | 109.1° | 109.4° |
| O2 | C7 | H7 | 109.6° | 109.5° |
| O2 | C7 | H8 | 109.6° | 109.5° |
| C7 | O2 | H31 | 109.5° | 114.0° |
| C7 | C1 | C2 | 106.8° | 109.5° |
| C7 | C1 | O1 | 110.2° | 109.5° |
| C7 | C1 | C6 | 111.1° | 109.4° |
| C1 | C7 | H7 | 109.6° | 109.5° |
| C1 | C7 | H8 | 109.6° | 109.4° |
| O5 | C2 | C1 | 108.2° | 109.4° |
| O5 | C2 | C3 | 108.3° | 109.5° |
| O5 | C2 | H24 | 111.4° | 109.4° |
| C2 | O5 | H34 | 109.5° | 114.0° |
| C2 | C1 | O1 | 106.6° | 109.5° |
| C2 | C1 | C6 | 113.6° | 109.4° |
| C1 | C2 | C3 | 109.8° | 109.5° |
| C1 | C2 | H24 | 109.6° | 109.5° |
| O1 | C1 | C6 | 108.4° | 109.5° |
| C1 | O1 | H30 | 109.5° | 114.0° |
| C1 | C6 | C5 | 111.4° | 109.4° |
| C1 | C6 | H5 | 109.0° | 109.5° |
| C1 | C6 | H6 | 109.0° | 109.5° |
| C2 | C3 | O3 | 107.4° | 109.5° |
| C2 | C3 | C4 | 108.9° | 109.5° |
| C3 | C2 | H24 | 109.5° | 109.5° |
| C2 | C3 | H26 | 110.5° | 109.4° |
| C6 | C5 | C4 | 110.2° | 109.5° |
| C6 | C5 | N1 | 109.7° | 109.5° |
| C6 | C5 | H4 | 110.3° | 109.4° |
| C5 | C6 | H5 | 109.0° | 109.5° |
| C5 | C6 | H6 | 109.0° | 109.5° |
| O3 | C3 | C4 | 107.1° | 109.5° |
| O3 | C3 | H26 | 112.4° | 109.5° |
| C3 | O3 | H32 | 109.5° | 114.0° |
| C3 | C4 | C5 | 109.1° | 109.5° |
| C3 | C4 | O4 | 108.4° | 109.4° |
| C3 | C4 | H3 | 109.6° | 109.4° |
| C4 | C3 | H26 | 110.4° | 109.5° |
| C18 | C19 | C14 | 119.9° | 120.1° |
| C19 | C18 | C17 | 120.8° | 119.9° |
| C19 | C18 | H22 | 119.6° | 120.1° |
| C18 | C19 | H23 | 120.0° | 120.0° |
| C19 | C14 | N2 | 119.8° | 120.0° |
| C19 | C14 | C15 | 119.3° | 120.1° |
| C14 | C19 | H23 | 120.1° | 120.0° |
| C18 | C17 | C20 | 119.2° | 120.0° |
| C18 | C17 | C16 | 119.4° | 119.9° |
| C17 | C18 | H22 | 119.6° | 120.0° |
| C13 | C12 | C11 | 111.8° | 109.5° |
| C12 | C13 | N2 | 110.9° | 109.5° |
| C12 | C13 | H13 | 109.1° | 109.5° |
| C12 | C13 | H14 | 109.1° | 109.5° |
| C13 | C12 | H19 | 108.9° | 109.5° |
| C13 | C12 | H20 | 108.8° | 109.5° |
| C12 | C11 | C10 | 110.9° | 109.4° |
| C12 | C11 | H17 | 109.1° | 109.5° |
| C12 | C11 | H18 | 109.1° | 109.5° |
| C11 | C12 | H19 | 108.9° | 109.5° |
| C11 | C12 | H20 | 108.9° | 109.5° |
| C23 | N4 | C20 | 119.8° | 120.8° |
| N4 | C23 | C22 | 120.7° | 119.2° |
| N4 | C23 | H25 | 119.7° | 120.4° |
| N4 | C20 | C17 | 117.3° | 119.2° |
| N4 | C20 | N3 | 121.9° | 121.5° |
| C4 | C5 | N1 | 104.7° | 109.5° |
| C5 | C4 | O4 | 108.5° | 109.5° |
| C5 | C4 | H3 | 109.8° | 109.5° |
| C4 | C5 | H4 | 110.5° | 109.5° |
| C5 | N1 | C8 | 108.6° | 111.0° |
| C5 | N1 | H1 | 109.7° | 111.0° |
| N1 | C5 | H4 | 111.4° | 109.5° |
| C23 | C22 | C21 | 117.4° | 118.6° |
| C23 | C22 | H16 | 121.3° | 120.8° |
| C22 | C23 | H25 | 119.6° | 120.4° |
| O4 | C4 | H3 | 111.4° | 109.5° |
| C4 | O4 | H33 | 109.5° | 114.1° |
| C13 | N2 | C14 | 117.0° | 120.0° |
| N2 | C13 | H13 | 109.1° | 109.5° |
| N2 | C13 | H14 | 109.1° | 109.4° |
| C13 | N2 | H29 | 107.6° | 120.0° |
| N1 | C8 | C9 | 109.8° | 109.4° |
| C8 | N1 | H1 | 109.7° | 111.0° |
| N1 | C8 | H9 | 109.4° | 109.5° |
| N1 | C8 | H10 | 109.4° | 109.5° |
| C8 | C9 | C10 | 113.0° | 109.5° |
| C9 | C8 | H9 | 109.4° | 109.5° |
| C9 | C8 | H10 | 109.4° | 109.5° |
| C8 | C9 | H27 | 108.6° | 109.5° |
| C8 | C9 | H28 | 108.6° | 109.5° |
| C11 | C10 | C9 | 111.4° | 109.5° |
| C11 | C10 | H11 | 109.0° | 109.5° |
| C11 | C10 | H12 | 109.0° | 109.5° |
| C10 | C11 | H17 | 109.1° | 109.5° |
| C10 | C11 | H18 | 109.1° | 109.4° |
| C9 | C10 | H11 | 109.0° | 109.5° |
| C9 | C10 | H12 | 109.0° | 109.4° |
| C10 | C9 | H27 | 108.6° | 109.4° |
| C10 | C9 | H28 | 108.6° | 109.5° |
| N2 | C14 | C15 | 120.8° | 119.9° |
| C14 | N2 | H29 | 107.6° | 120.0° |
| C14 | C15 | C16 | 121.4° | 120.0° |
| C14 | C15 | N5 | 118.4° | 120.0° |
| C20 | C17 | C16 | 121.4° | 120.0° |
| C17 | C20 | N3 | 120.8° | 119.2° |
| C17 | C16 | C15 | 119.2° | 119.9° |
| C17 | C16 | H21 | 120.4° | 120.0° |
| C20 | N3 | C21 | 121.2° | 120.7° |
| C22 | C21 | N3 | 119.0° | 119.2° |
| C22 | C21 | H15 | 120.5° | 120.4° |
| C21 | C22 | H16 | 121.3° | 120.7° |
| C16 | C15 | N5 | 120.2° | 120.0° |
| C15 | C16 | H21 | 120.4° | 120.0° |
| C15 | N5 | O7 | 118.4° | 120.0° |
| C15 | N5 | O6 | 120.5° | 120.0° |
| N3 | C21 | H15 | 120.5° | 120.4° |
| O7 | N5 | O6 | 121.1° | 120.0° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.4° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.4° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.6° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| H27 | C9 | H28 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C7 | C1 | H7 | 119.9° | 120.0° |
| O2 | C7 | C1 | H8 | 120.0° | 120.0° |
| O2 | C7 | C1 | C2 | 74.4° | 55.0° |
| O2 | C7 | C1 | O1 | 170.2° | 65.0° |
| O2 | C7 | C1 | C6 | 50.1° | 175.0° |
| O2 | C7 | H7 | H8 | 120.2° | 120.0° |
| C7 | C1 | C2 | O5 | 65.9° | 60.0° |
| C7 | C1 | C2 | O1 | 117.8° | 120.0° |
| C7 | C1 | C2 | C6 | 122.9° | 120.0° |
| C7 | C1 | O1 | C6 | 121.8° | 120.0° |
| C7 | C1 | C2 | C3 | 176.1° | 180.0° |
| C7 | C1 | C6 | C5 | 170.5° | NaN° |
| C7 | C1 | C6 | H5 | 69.2° | 60.0° |
| C7 | C1 | C6 | H6 | 50.2° | 60.0° |
| C1 | C7 | H7 | H8 | 120.2° | 120.0° |
| C7 | C1 | C2 | H24 | 55.8° | 59.9° |
| C7 | C1 | O1 | H30 | 180.0° | 60.0° |
| C1 | C7 | O2 | H31 | 180.0° | 180.0° |
| O5 | C2 | C1 | C3 | 118.0° | 120.0° |
| O5 | C2 | C1 | H24 | 121.7° | 119.9° |
| O5 | C2 | C1 | O1 | 51.9° | 60.0° |
| O5 | C2 | C1 | C6 | 171.2° | 180.0° |
| O5 | C2 | C3 | H24 | 121.7° | 120.0° |
| O5 | C2 | C3 | O3 | 66.6° | 60.0° |
| O5 | C2 | C3 | C4 | 177.7° | 180.0° |
| O5 | C2 | C3 | H26 | 56.3° | 60.0° |
| C2 | C1 | O1 | C6 | 122.7° | 120.0° |
| C1 | C2 | C3 | H24 | 120.4° | 120.1° |
| C2 | C1 | C6 | C5 | 49.9° | 60.0° |
| C1 | C2 | C3 | O3 | 175.4° | 179.9° |
| C1 | C2 | C3 | C4 | 59.7° | 60.0° |
| C2 | C1 | C6 | H5 | 170.2° | 60.0° |
| C2 | C1 | C6 | H6 | 70.3° | 180.0° |
| C2 | C1 | C7 | H7 | 45.5° | 65.0° |
| C2 | C1 | C7 | H8 | 165.6° | 175.0° |
| C1 | C2 | C3 | H26 | 61.6° | 60.0° |
| C2 | C1 | O1 | H30 | 64.5° | 60.0° |
| C1 | C2 | O5 | H34 | 180.0° | 180.0° |
| O1 | C1 | C2 | C3 | 66.1° | 60.0° |
| O1 | C1 | C6 | C5 | 68.4° | 60.0° |
| O1 | C1 | C6 | H5 | 51.9° | 180.0° |
| O1 | C1 | C6 | H6 | 171.4° | 60.0° |
| O1 | C1 | C7 | H7 | 69.9° | 175.0° |
| O1 | C1 | C7 | H8 | 50.2° | 55.0° |
| O1 | C1 | C2 | H24 | 173.6° | 179.9° |
| C6 | C1 | C2 | C3 | 53.2° | 60.0° |
| C1 | C6 | C5 | H5 | 120.3° | 120.0° |
| C1 | C6 | C5 | H6 | 120.3° | 120.0° |
| C1 | C6 | C5 | C4 | 53.2° | 60.0° |
| C1 | C6 | C5 | N1 | 61.6° | 60.0° |
| C1 | C6 | C5 | H4 | 175.4° | 180.0° |
| C1 | C6 | H5 | H6 | 119.1° | 120.0° |
| C6 | C1 | C7 | H7 | 170.0° | 55.0° |
| C6 | C1 | C7 | H8 | 69.9° | 65.0° |
| C6 | C1 | C2 | H24 | 67.1° | 60.0° |
| C6 | C1 | O1 | H30 | 58.2° | 180.0° |
| C2 | C3 | O3 | C4 | 116.9° | 120.0° |
| C2 | C3 | O3 | H26 | 121.7° | 120.0° |
| C2 | C3 | C4 | H26 | 121.4° | 119.9° |
| C2 | C3 | C4 | C5 | 64.6° | 60.0° |
| C2 | C3 | C4 | O4 | 177.4° | 180.0° |
| C2 | C3 | C4 | H3 | 55.6° | 60.0° |
| C2 | C3 | O3 | H32 | 180.0° | 180.0° |
| C3 | C2 | O5 | H34 | 61.1° | 60.0° |
| C6 | C5 | C4 | C3 | 61.0° | 60.0° |
| C6 | C5 | C4 | N1 | 117.9° | 120.0° |
| C6 | C5 | C4 | H4 | 122.1° | 120.0° |
| C6 | C5 | N1 | H4 | 122.4° | 120.0° |
| C6 | C5 | C4 | O4 | 179.0° | 180.0° |
| C6 | C5 | N1 | C8 | 65.3° | 155.0° |
| C6 | C5 | N1 | H1 | 174.8° | 81.1° |
| C6 | C5 | C4 | H3 | 59.1° | 60.0° |
| C5 | C6 | H5 | H6 | 119.1° | 120.0° |
| O3 | C3 | C4 | H26 | 122.7° | 120.0° |
| O3 | C3 | C4 | C5 | 179.5° | 180.0° |
| O3 | C3 | C4 | O4 | 61.6° | 60.0° |
| O3 | C3 | C4 | H3 | 60.2° | 60.0° |
| O3 | C3 | C2 | H24 | 55.1° | 60.0° |
| C3 | C4 | C5 | O4 | 117.9° | 120.0° |
| C3 | C4 | C5 | H3 | 120.1° | 120.0° |
| C3 | C4 | C5 | N1 | 56.8° | 60.0° |
| C3 | C4 | O4 | H3 | 120.7° | 120.0° |
| C3 | C4 | C5 | H4 | 176.9° | 180.0° |
| C4 | C3 | C2 | H24 | 60.6° | 60.1° |
| C4 | C3 | O3 | H32 | 63.1° | 60.0° |
| C3 | C4 | O4 | H33 | 180.0° | 60.0° |
| C18 | C19 | C14 | H23 | 180.0° | 179.8° |
| C19 | C18 | C17 | H22 | 180.0° | 180.0° |
| C18 | C19 | C14 | N2 | 179.7° | 179.9° |
| C18 | C19 | C14 | C15 | 0.2° | 0.0° |
| C19 | C18 | C17 | C20 | 179.6° | 180.0° |
| C19 | C18 | C17 | C16 | 0.3° | 0.5° |
| C14 | C19 | C18 | C17 | 0.0° | 0.2° |
| C19 | C14 | N2 | C13 | 46.8° | 5.8° |
| C19 | C14 | N2 | C15 | 179.5° | 179.9° |
| C19 | C14 | C15 | C16 | 0.2° | 0.1° |
| C19 | C14 | C15 | N5 | 179.8° | 179.7° |
| C14 | C19 | C18 | H22 | 180.0° | 179.8° |
| C19 | C14 | N2 | H29 | 167.9° | 174.1° |
| C18 | C17 | C20 | N4 | 23.6° | 179.5° |
| C18 | C17 | C20 | C16 | 179.3° | 179.5° |
| C18 | C17 | C20 | N3 | 155.2° | 0.5° |
| C18 | C17 | C16 | C15 | 0.3° | 0.5° |
| C18 | C17 | C16 | H21 | 179.7° | 179.4° |
| C17 | C18 | C19 | H23 | 180.0° | 180.0° |
| C13 | C12 | C11 | H19 | 120.3° | 120.0° |
| C13 | C12 | C11 | H20 | 120.3° | 120.0° |
| C12 | C13 | N2 | H13 | 120.2° | 120.0° |
| C12 | C13 | N2 | H14 | 120.2° | 120.0° |
| C13 | C12 | C11 | C10 | 122.9° | 180.0° |
| C12 | C13 | N2 | C14 | 167.7° | 179.9° |
| C12 | C13 | H13 | H14 | 119.3° | 120.0° |
| C13 | C12 | C11 | H17 | 116.9° | 60.0° |
| C13 | C12 | C11 | H18 | 2.7° | 60.1° |
| C13 | C12 | H19 | H20 | 118.9° | 120.0° |
| C12 | C13 | N2 | H29 | 71.2° | 0.0° |
| C11 | C12 | C13 | N2 | 111.2° | 180.0° |
| C12 | C11 | C10 | H17 | 120.2° | 120.0° |
| C12 | C11 | C10 | H18 | 120.2° | 120.0° |
| C12 | C11 | C10 | C9 | 130.6° | 180.0° |
| C12 | C11 | C10 | H11 | 10.3° | 60.0° |
| C12 | C11 | C10 | H12 | 109.1° | 60.0° |
| C11 | C12 | C13 | H13 | 128.6° | 60.0° |
| C11 | C12 | C13 | H14 | 9.0° | 60.0° |
| C12 | C11 | H17 | H18 | 119.4° | 120.1° |
| C11 | C12 | H19 | H20 | 119.0° | 120.0° |
| N4 | C23 | C22 | H25 | 180.0° | 180.0° |
| C23 | N4 | C20 | C17 | 179.2° | 180.0° |
| C23 | N4 | C20 | N3 | 0.4° | 0.1° |
| N4 | C23 | C22 | C21 | 0.0° | 0.0° |
| N4 | C23 | C22 | H16 | 180.0° | 179.9° |
| C20 | N4 | C23 | C22 | 0.2° | 0.0° |
| N4 | C20 | C17 | N3 | 178.8° | 180.0° |
| N4 | C20 | C17 | C16 | 157.1° | 0.0° |
| N4 | C20 | N3 | C21 | 0.5° | 0.0° |
| C20 | N4 | C23 | H25 | 179.8° | 180.0° |
| C4 | C5 | N1 | H4 | 119.4° | 120.0° |
| C5 | C4 | O4 | H3 | 120.9° | 120.0° |
| C4 | C5 | N1 | C8 | 176.4° | 85.0° |
| C4 | C5 | N1 | H1 | 56.6° | 38.9° |
| C4 | C5 | C6 | H5 | 173.4° | 60.0° |
| C4 | C5 | C6 | H6 | 67.1° | 180.0° |
| C5 | C4 | C3 | H26 | 56.8° | 60.0° |
| C5 | C4 | O4 | H33 | 61.6° | 180.0° |
| N1 | C5 | C4 | O4 | 61.1° | 60.0° |
| C5 | N1 | C8 | H1 | 119.9° | 123.9° |
| C5 | N1 | C8 | C9 | 163.8° | 180.0° |
| N1 | C5 | C4 | H3 | 177.0° | 180.0° |
| N1 | C5 | C6 | H5 | 58.7° | 180.0° |
| N1 | C5 | C6 | H6 | 178.1° | 60.0° |
| C5 | N1 | C8 | H9 | 76.1° | 60.0° |
| C5 | N1 | C8 | H10 | 43.8° | 60.0° |
| C23 | C22 | C21 | H16 | 180.0° | 179.9° |
| C23 | C22 | C21 | N3 | 0.1° | 0.0° |
| C23 | C22 | C21 | H15 | 179.9° | 180.0° |
| O4 | C4 | C5 | H4 | 58.9° | 60.0° |
| O4 | C4 | C3 | H26 | 61.1° | 60.0° |
| C13 | N2 | C14 | H29 | 121.1° | 179.9° |
| C13 | N2 | C14 | C15 | 132.7° | 174.1° |
| N2 | C13 | H13 | H14 | 119.3° | 120.0° |
| N2 | C13 | C12 | H19 | 128.5° | 60.0° |
| N2 | C13 | C12 | H20 | 9.2° | 60.0° |
| N1 | C8 | C9 | H9 | 120.0° | 120.0° |
| N1 | C8 | C9 | H10 | 120.0° | 120.0° |
| N1 | C8 | C9 | C10 | 118.8° | 180.0° |
| C8 | N1 | C5 | H4 | 57.0° | 35.0° |
| N1 | C8 | H9 | H10 | 119.8° | 120.1° |
| N1 | C8 | C9 | H27 | 120.6° | 60.0° |
| N1 | C8 | C9 | H28 | 1.7° | 60.0° |
| C8 | C9 | C10 | C11 | 127.8° | 180.0° |
| C8 | C9 | C10 | H27 | 120.5° | 120.0° |
| C8 | C9 | C10 | H28 | 120.5° | 120.0° |
| C9 | C8 | N1 | H1 | 43.9° | 56.1° |
| C9 | C8 | H9 | H10 | 119.8° | 120.0° |
| C8 | C9 | C10 | H11 | 7.6° | 60.0° |
| C8 | C9 | C10 | H12 | 111.9° | 60.0° |
| C8 | C9 | H27 | H28 | 118.4° | 120.1° |
| C11 | C10 | C9 | H11 | 120.3° | 120.0° |
| C11 | C10 | C9 | H12 | 120.3° | 120.0° |
| C11 | C10 | H11 | H12 | 119.1° | 120.1° |
| C10 | C11 | H17 | H18 | 119.4° | 120.0° |
| C10 | C11 | C12 | H19 | 2.6° | 60.0° |
| C10 | C11 | C12 | H20 | 116.8° | 60.0° |
| C11 | C10 | C9 | H27 | 7.3° | 60.0° |
| C11 | C10 | C9 | H28 | 111.7° | 60.0° |
| C10 | C9 | C8 | H9 | 1.2° | 60.0° |
| C10 | C9 | C8 | H10 | 121.1° | 60.0° |
| C9 | C10 | H11 | H12 | 119.1° | 119.9° |
| C9 | C10 | C11 | H17 | 109.2° | 60.0° |
| C9 | C10 | C11 | H18 | 10.4° | 60.0° |
| C10 | C9 | H27 | H28 | 118.4° | 119.9° |
| N2 | C14 | C15 | C16 | 179.6° | 179.9° |
| N2 | C14 | C15 | N5 | 0.3° | 0.4° |
| C14 | N2 | C13 | H13 | 47.5° | 60.1° |
| C14 | N2 | C13 | H14 | 72.1° | 60.0° |
| N2 | C14 | C19 | H23 | 0.3° | 0.3° |
| C14 | C15 | C16 | C17 | 0.1° | 0.3° |
| C14 | C15 | C16 | N5 | 180.0° | 179.7° |
| C14 | C15 | N5 | O7 | 47.7° | 37.8° |
| C14 | C15 | N5 | O6 | 132.5° | 142.2° |
| C14 | C15 | C16 | H21 | 179.9° | 179.7° |
| C15 | C14 | C19 | H23 | 179.8° | 179.8° |
| C15 | C14 | N2 | H29 | 11.6° | 6.0° |
| C20 | C17 | C16 | C15 | 179.6° | 180.0° |
| C17 | C20 | N3 | C21 | 179.3° | 180.0° |
| C20 | C17 | C16 | H21 | 0.4° | 0.1° |
| C20 | C17 | C18 | H22 | 0.4° | 0.0° |
| C16 | C17 | C20 | N3 | 24.1° | 180.0° |
| C17 | C16 | C15 | H21 | 180.0° | 179.9° |
| C17 | C16 | C15 | N5 | 179.9° | 179.9° |
| C16 | C17 | C18 | H22 | 179.7° | 179.5° |
| C20 | N3 | C21 | C22 | 0.3° | 0.0° |
| C20 | N3 | C21 | H15 | 179.7° | 180.0° |
| C22 | C21 | N3 | H15 | 180.0° | 180.0° |
| C21 | C22 | C23 | H25 | 180.0° | 180.0° |
| C16 | C15 | N5 | O7 | 132.3° | 142.6° |
| C16 | C15 | N5 | O6 | 47.5° | 37.5° |
| C15 | N5 | O7 | O6 | 179.8° | 180.0° |
| N5 | C15 | C16 | H21 | 0.1° | 0.0° |
| N3 | C21 | C22 | H16 | 179.9° | 179.9° |
| H1 | N1 | C5 | H4 | 62.8° | 159.0° |
| H1 | N1 | C8 | H9 | 164.0° | 176.1° |
| H1 | N1 | C8 | H10 | 76.1° | 63.9° |
| H3 | C4 | C5 | H4 | 63.0° | 60.0° |
| H3 | C4 | C3 | H26 | 177.0° | 180.0° |
| H3 | C4 | O4 | H33 | 59.3° | 60.0° |
| H4 | C5 | C6 | H5 | 64.3° | 60.0° |
| H4 | C5 | C6 | H6 | 55.1° | 60.0° |
| H7 | C7 | O2 | H31 | 60.1° | 60.0° |
| H8 | C7 | O2 | H31 | 60.0° | 60.1° |
| H9 | C8 | C9 | H27 | 119.3° | 180.0° |
| H9 | C8 | C9 | H28 | 121.7° | 60.0° |
| H10 | C8 | C9 | H27 | 0.6° | 60.0° |
| H10 | C8 | C9 | H28 | 118.4° | 180.0° |
| H11 | C10 | C11 | H17 | 130.5° | 60.0° |
| H11 | C10 | C11 | H18 | 109.9° | 180.0° |
| H11 | C10 | C9 | H27 | 113.0° | 60.1° |
| H11 | C10 | C9 | H28 | 128.1° | 180.0° |
| H12 | C10 | C11 | H17 | 11.1° | 180.0° |
| H12 | C10 | C11 | H18 | 130.7° | 59.9° |
| H12 | C10 | C9 | H27 | 127.6° | 180.0° |
| H12 | C10 | C9 | H28 | 8.6° | 60.0° |
| H13 | C13 | C12 | H19 | 8.2° | 60.0° |
| H13 | C13 | C12 | H20 | 111.1° | 180.0° |
| H13 | C13 | N2 | H29 | 168.6° | 120.1° |
| H14 | C13 | C12 | H19 | 111.3° | 180.0° |
| H14 | C13 | C12 | H20 | 129.4° | 60.0° |
| H14 | C13 | N2 | H29 | 49.0° | 119.9° |
| H15 | C21 | C22 | H16 | 0.0° | 0.0° |
| H16 | C22 | C23 | H25 | 0.0° | 0.1° |
| H17 | C11 | C12 | H19 | 122.8° | 60.0° |
| H17 | C11 | C12 | H20 | 3.4° | 180.0° |
| H18 | C11 | C12 | H19 | 117.6° | 179.9° |
| H18 | C11 | C12 | H20 | 123.0° | 59.9° |
| H22 | C18 | C19 | H23 | 0.0° | 0.0° |
| H24 | C2 | C3 | H26 | 178.0° | 180.0° |
| H24 | C2 | O5 | H34 | 59.4° | 60.0° |
| H26 | C3 | O3 | H32 | 58.3° | 60.1° |
