WJF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C5 | sing | 1.43Å | 1.49Å | |
| O1 | C1 | sing | 1.43Å | 1.41Å | |
| C1 | C5 | sing | 1.53Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C24 | O5 | sing | 1.34Å | 1.32Å | Aromatic |
| C24 | N4 | doub | 1.31Å | 1.34Å | Aromatic |
| O4 | C6 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.46Å | |
| C4 | O3 | sing | 1.43Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C7 | sing | 1.47Å | 1.27Å | |
| N1 | C3 | sing | 1.47Å | 1.49Å | |
| O5 | N3 | sing | 1.21Å | 1.33Å | Aromatic |
| N4 | C23 | sing | 1.35Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.58Å | |
| C3 | C6 | sing | 1.53Å | 1.54Å | |
| N3 | C23 | doub | 1.31Å | 1.34Å | Aromatic |
| C23 | C19 | sing | 1.48Å | 1.54Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C15 | sing | 1.51Å | 1.54Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C17 | N2 | sing | 1.40Å | 1.45Å | |
| C17 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | CL1 | sing | 1.74Å | 1.80Å | |
| C16 | N2 | sing | 1.46Å | 1.47Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| N2 | H26 | sing | 0.97Å | 1.00Å | |
| O1 | H27 | sing | 0.97Å | 0.95Å | |
| O2 | H28 | sing | 0.97Å | 0.95Å | |
| O3 | H29 | sing | 0.97Å | 0.95Å | |
| O4 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C5 | C1 | 105.5° | 109.6° |
| O2 | C5 | C4 | 109.5° | 109.5° |
| O2 | C5 | H3 | 111.7° | 109.5° |
| C5 | O2 | H28 | 109.5° | 114.0° |
| O1 | C1 | C5 | 111.0° | 109.5° |
| O1 | C1 | C2 | 109.9° | 109.5° |
| O1 | C1 | H17 | 110.4° | 109.5° |
| C1 | O1 | H27 | 109.5° | 114.0° |
| C5 | C1 | C2 | 107.9° | 109.3° |
| C1 | C5 | C4 | 106.0° | 109.1° |
| C1 | C5 | H3 | 111.8° | 109.5° |
| C5 | C1 | H17 | 109.3° | 109.5° |
| C1 | C2 | N1 | 107.1° | 109.5° |
| C2 | C1 | H17 | 108.2° | 109.5° |
| C1 | C2 | H23 | 110.1° | 109.5° |
| C1 | C2 | H24 | 110.1° | 109.5° |
| O5 | C24 | N4 | 106.9° | 107.1° |
| C24 | O5 | N3 | 111.5° | 110.0° |
| O5 | C24 | H16 | 126.6° | 126.5° |
| C24 | N4 | C23 | 107.6° | 105.6° |
| N4 | C24 | H16 | 126.5° | 126.4° |
| O4 | C6 | C3 | 107.8° | 109.5° |
| O4 | C6 | H4 | 109.9° | 109.5° |
| O4 | C6 | H5 | 109.9° | 109.4° |
| C6 | O4 | H30 | 109.5° | 114.0° |
| C5 | C4 | O3 | 112.1° | 109.5° |
| C5 | C4 | C3 | 113.3° | 109.3° |
| C5 | C4 | H2 | 106.6° | 109.5° |
| C4 | C5 | H3 | 112.1° | 109.5° |
| O3 | C4 | C3 | 112.0° | 109.5° |
| O3 | C4 | H2 | 106.8° | 109.5° |
| C4 | O3 | H29 | 109.5° | 114.0° |
| C4 | C3 | N1 | 110.9° | 109.5° |
| C4 | C3 | C6 | 106.9° | 109.5° |
| C3 | C4 | H2 | 105.5° | 109.5° |
| C4 | C3 | H25 | 108.6° | 109.5° |
| C2 | N1 | C7 | 111.9° | 111.0° |
| C2 | N1 | C3 | 104.4° | 111.2° |
| N1 | C2 | H23 | 110.0° | 109.5° |
| N1 | C2 | H24 | 110.0° | 109.4° |
| C7 | N1 | C3 | 118.6° | 111.0° |
| N1 | C7 | C8 | 109.1° | 109.5° |
| N1 | C7 | H6 | 109.6° | 109.5° |
| N1 | C7 | H7 | 109.6° | 109.5° |
| N1 | C3 | C6 | 111.8° | 109.4° |
| N1 | C3 | H25 | 109.5° | 109.5° |
| O5 | N3 | C23 | 106.8° | 110.1° |
| N4 | C23 | N3 | 107.2° | 107.2° |
| N4 | C23 | C19 | 123.9° | 126.4° |
| C7 | C8 | C9 | 112.5° | 109.4° |
| C8 | C7 | H6 | 109.6° | 109.4° |
| C8 | C7 | H7 | 109.6° | 109.5° |
| C7 | C8 | H8 | 108.7° | 109.4° |
| C7 | C8 | H9 | 108.7° | 109.5° |
| C3 | C6 | H4 | 109.9° | 109.5° |
| C3 | C6 | H5 | 109.9° | 109.5° |
| C6 | C3 | H25 | 109.0° | 109.4° |
| N3 | C23 | C19 | 128.9° | 126.4° |
| C23 | C19 | C18 | 116.8° | 120.1° |
| C23 | C19 | C20 | 123.2° | 120.1° |
| C8 | C9 | C10 | 118.3° | 120.0° |
| C8 | C9 | C14 | 121.6° | 120.0° |
| C9 | C8 | H8 | 108.7° | 109.5° |
| C9 | C8 | H9 | 108.7° | 109.5° |
| C11 | C10 | C9 | 119.0° | 120.0° |
| C10 | C11 | C12 | 122.1° | 120.0° |
| C11 | C10 | H10 | 120.5° | 120.0° |
| C10 | C11 | H18 | 118.9° | 120.0° |
| C10 | C9 | C14 | 120.1° | 120.0° |
| C9 | C10 | H10 | 120.5° | 120.0° |
| C11 | C12 | C15 | 118.7° | 120.0° |
| C11 | C12 | C13 | 118.9° | 120.0° |
| C12 | C11 | H18 | 119.0° | 120.0° |
| C9 | C14 | C13 | 119.5° | 120.0° |
| C9 | C14 | H19 | 120.2° | 120.0° |
| C18 | C19 | C20 | 120.0° | 119.8° |
| C19 | C18 | C17 | 119.2° | 119.9° |
| C19 | C18 | H22 | 120.4° | 120.1° |
| C19 | C20 | C21 | 120.6° | 120.0° |
| C19 | C20 | H14 | 119.7° | 120.0° |
| C18 | C17 | N2 | 120.8° | 120.0° |
| C18 | C17 | C22 | 120.7° | 120.0° |
| C17 | C18 | H22 | 120.4° | 120.0° |
| C20 | C21 | C22 | 118.3° | 120.2° |
| C20 | C21 | CL1 | 125.1° | 119.9° |
| C21 | C20 | H14 | 119.7° | 120.0° |
| C15 | C12 | C13 | 122.3° | 120.0° |
| C12 | C15 | C16 | 112.9° | 109.5° |
| C12 | C15 | H12 | 108.6° | 109.5° |
| C12 | C15 | H13 | 108.6° | 109.5° |
| C12 | C13 | C14 | 120.3° | 120.0° |
| C12 | C13 | H11 | 119.8° | 120.0° |
| C14 | C13 | H11 | 119.9° | 120.0° |
| C13 | C14 | H19 | 120.2° | 120.0° |
| C15 | C16 | N2 | 112.3° | 109.5° |
| C16 | C15 | H12 | 108.6° | 109.5° |
| C16 | C15 | H13 | 108.6° | 109.5° |
| C15 | C16 | H20 | 108.8° | 109.5° |
| C15 | C16 | H21 | 108.7° | 109.4° |
| N2 | C17 | C22 | 118.4° | 120.0° |
| C17 | N2 | C16 | 114.2° | 120.0° |
| C17 | N2 | H26 | 108.3° | 120.0° |
| C17 | C22 | C21 | 121.2° | 120.1° |
| C17 | C22 | H15 | 119.4° | 119.9° |
| C22 | C21 | CL1 | 116.7° | 119.9° |
| C21 | C22 | H15 | 119.4° | 119.9° |
| N2 | C16 | H20 | 108.8° | 109.5° |
| N2 | C16 | H21 | 108.8° | 109.5° |
| C16 | N2 | H26 | 108.3° | 120.0° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.4° | 109.5° |
| H12 | C15 | H13 | 109.4° | 109.4° |
| H20 | C16 | H21 | 109.5° | 109.4° |
| H23 | C2 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C5 | C1 | O1 | 60.5° | 62.5° |
| O2 | C5 | C1 | C4 | 116.1° | 119.9° |
| O2 | C5 | C1 | H3 | 121.6° | 120.2° |
| O2 | C5 | C1 | C2 | 179.0° | 177.6° |
| O2 | C5 | C4 | H3 | 124.5° | 120.1° |
| O2 | C5 | C4 | O3 | 62.9° | 62.4° |
| O2 | C5 | C4 | C3 | 169.2° | 177.6° |
| O2 | C5 | C4 | H2 | 53.6° | 57.7° |
| O2 | C5 | C1 | H17 | 61.6° | 57.6° |
| O1 | C1 | C5 | C2 | 120.5° | 119.9° |
| O1 | C1 | C5 | H17 | 122.1° | 120.1° |
| O1 | C1 | C2 | H17 | 120.6° | 120.0° |
| O1 | C1 | C5 | C4 | 176.6° | 177.6° |
| O1 | C1 | C2 | N1 | 166.2° | 179.1° |
| O1 | C1 | C5 | H3 | 61.1° | 57.7° |
| O1 | C1 | C2 | H23 | 46.6° | 59.1° |
| O1 | C1 | C2 | H24 | 74.2° | 60.9° |
| C5 | C1 | C2 | H17 | 118.2° | 120.0° |
| C1 | C5 | C4 | H3 | 122.2° | 119.9° |
| C1 | C5 | C4 | O3 | 176.2° | 177.6° |
| C1 | C5 | C4 | C3 | 55.8° | 57.6° |
| C5 | C1 | C2 | N1 | 72.6° | 59.2° |
| C1 | C5 | C4 | H2 | 59.8° | 62.3° |
| C5 | C1 | C2 | H23 | 167.8° | 60.8° |
| C5 | C1 | C2 | H24 | 47.0° | 179.2° |
| C5 | C1 | O1 | H27 | 180.0° | 180.0° |
| C1 | C5 | O2 | H28 | 180.0° | 60.3° |
| C2 | C1 | C5 | C4 | 63.0° | 57.7° |
| C1 | C2 | N1 | H23 | 119.7° | 120.0° |
| C1 | C2 | N1 | H24 | 119.6° | 120.0° |
| C1 | C2 | N1 | C7 | 163.2° | 174.2° |
| C1 | C2 | N1 | C3 | 67.3° | 61.7° |
| C2 | C1 | C5 | H3 | 59.4° | 62.2° |
| C1 | C2 | H23 | H24 | 121.1° | 120.0° |
| C2 | C1 | O1 | H27 | 60.7° | 60.1° |
| O5 | C24 | N4 | H16 | 180.0° | 180.0° |
| O5 | C24 | N4 | C23 | 0.4° | 0.0° |
| C24 | O5 | N3 | C23 | 0.2° | 0.1° |
| N4 | C24 | O5 | N3 | 0.1° | 0.0° |
| C24 | N4 | C23 | N3 | 0.6° | 0.1° |
| C24 | N4 | C23 | C19 | 179.2° | 180.0° |
| O4 | C6 | C3 | C4 | 77.6° | 56.6° |
| O4 | C6 | C3 | N1 | 43.9° | 63.5° |
| O4 | C6 | C3 | H4 | 119.8° | 120.0° |
| O4 | C6 | C3 | H5 | 119.8° | 119.9° |
| O4 | C6 | H4 | H5 | 120.8° | 119.9° |
| O4 | C6 | C3 | H25 | 165.2° | 176.6° |
| C5 | C4 | O3 | C3 | 128.6° | 119.8° |
| C5 | C4 | O3 | H2 | 116.4° | 120.1° |
| C5 | C4 | C3 | H2 | 116.2° | 120.0° |
| C5 | C4 | C3 | N1 | 55.9° | 59.2° |
| C5 | C4 | C3 | C6 | 178.0° | 179.2° |
| C4 | C5 | C1 | H17 | 54.5° | 62.3° |
| C5 | C4 | C3 | H25 | 64.6° | 60.9° |
| C4 | C5 | O2 | H28 | 66.4° | 180.0° |
| C5 | C4 | O3 | H29 | 180.0° | 60.1° |
| O3 | C4 | C3 | H2 | 115.8° | 120.1° |
| O3 | C4 | C3 | N1 | 176.2° | 179.2° |
| O3 | C4 | C3 | C6 | 54.1° | 60.9° |
| O3 | C4 | C5 | H3 | 61.6° | 57.7° |
| O3 | C4 | C3 | H25 | 63.4° | 59.1° |
| C4 | C3 | N1 | C2 | 59.1° | 61.8° |
| C4 | C3 | N1 | C7 | 175.5° | 174.1° |
| C4 | C3 | N1 | C6 | 119.2° | 120.0° |
| C4 | C3 | N1 | H25 | 119.9° | 120.0° |
| C4 | C3 | C6 | H25 | 117.2° | 120.0° |
| C3 | C4 | C5 | H3 | 66.3° | 62.2° |
| C4 | C3 | C6 | H4 | 42.1° | 176.6° |
| C4 | C3 | C6 | H5 | 162.6° | 63.3° |
| C3 | C4 | O3 | H29 | 51.4° | 180.0° |
| C2 | N1 | C7 | C3 | 121.7° | 124.2° |
| C2 | N1 | C7 | C8 | 61.0° | 62.8° |
| C2 | N1 | C3 | C6 | 178.3° | 178.2° |
| C2 | N1 | C7 | H6 | 179.1° | 57.1° |
| C2 | N1 | C7 | H7 | 58.9° | 177.1° |
| N1 | C2 | C1 | H17 | 45.6° | 60.8° |
| N1 | C2 | H23 | H24 | 121.1° | 120.0° |
| C2 | N1 | C3 | H25 | 60.8° | 58.3° |
| N1 | C7 | C8 | H6 | 119.9° | 120.0° |
| N1 | C7 | C8 | H7 | 119.9° | 120.1° |
| C7 | N1 | C3 | C6 | 56.3° | 54.1° |
| N1 | C7 | C8 | C9 | 171.1° | 180.0° |
| N1 | C7 | H6 | H7 | 120.2° | 120.0° |
| N1 | C7 | C8 | H8 | 50.6° | 60.0° |
| N1 | C7 | C8 | H9 | 68.5° | 60.0° |
| C7 | N1 | C2 | H23 | 43.6° | 65.9° |
| C7 | N1 | C2 | H24 | 77.2° | 54.1° |
| C7 | N1 | C3 | H25 | 64.6° | 65.8° |
| C3 | N1 | C7 | C8 | 60.7° | 173.0° |
| N1 | C3 | C6 | H25 | 121.2° | 120.0° |
| N1 | C3 | C4 | H2 | 60.4° | 60.8° |
| N1 | C3 | C6 | H4 | 163.7° | 56.6° |
| N1 | C3 | C6 | H5 | 75.8° | 176.6° |
| C3 | N1 | C7 | H6 | 59.2° | 67.1° |
| C3 | N1 | C7 | H7 | 179.4° | 52.9° |
| C3 | N1 | C2 | H23 | 173.1° | 58.2° |
| C3 | N1 | C2 | H24 | 52.3° | 178.2° |
| O5 | N3 | C23 | N4 | 0.5° | 0.1° |
| O5 | N3 | C23 | C19 | 179.3° | 180.0° |
| N3 | O5 | C24 | H16 | 179.9° | 179.9° |
| N4 | C23 | N3 | C19 | 179.8° | 179.9° |
| N4 | C23 | C19 | C18 | 56.9° | 180.0° |
| N4 | C23 | C19 | C20 | 121.5° | 0.0° |
| C23 | N4 | C24 | H16 | 179.6° | 180.0° |
| C7 | C8 | C9 | H8 | 120.5° | 119.9° |
| C7 | C8 | C9 | H9 | 120.5° | 120.0° |
| C7 | C8 | C9 | C10 | 63.3° | 90.0° |
| C7 | C8 | C9 | C14 | 115.2° | 90.1° |
| C8 | C7 | H6 | H7 | 120.2° | 120.0° |
| C7 | C8 | H8 | H9 | 118.6° | 120.0° |
| C6 | C3 | C4 | H2 | 61.7° | 59.2° |
| C3 | C6 | H4 | H5 | 120.7° | 120.0° |
| C3 | C6 | O4 | H30 | 180.0° | 180.0° |
| N3 | C23 | C19 | C18 | 123.4° | 0.1° |
| N3 | C23 | C19 | C20 | 58.3° | 180.0° |
| C23 | C19 | C18 | C20 | 178.4° | 179.9° |
| C23 | C19 | C18 | C17 | 179.6° | 179.9° |
| C23 | C19 | C20 | C21 | 178.2° | 179.7° |
| C23 | C19 | C20 | H14 | 1.8° | 0.0° |
| C23 | C19 | C18 | H22 | 0.4° | 0.0° |
| C8 | C9 | C10 | C11 | 178.5° | 180.0° |
| C8 | C9 | C10 | C14 | 178.5° | 179.9° |
| C8 | C9 | C14 | C13 | 177.1° | 180.0° |
| C9 | C8 | C7 | H6 | 69.0° | 60.1° |
| C9 | C8 | C7 | H7 | 51.1° | 59.9° |
| C9 | C8 | H8 | H9 | 118.6° | 120.0° |
| C8 | C9 | C10 | H10 | 1.5° | 0.2° |
| C8 | C9 | C14 | H19 | 2.9° | 0.1° |
| C11 | C10 | C9 | H10 | 180.0° | 179.8° |
| C10 | C11 | C12 | H18 | 180.0° | 180.0° |
| C11 | C10 | C9 | C14 | 0.1° | 0.1° |
| C10 | C11 | C12 | C15 | 179.3° | 180.0° |
| C10 | C11 | C12 | C13 | 0.9° | 0.0° |
| C9 | C10 | C11 | C12 | 1.1° | 0.1° |
| C10 | C9 | C14 | C13 | 1.3° | 0.1° |
| C10 | C9 | C8 | H8 | 57.2° | 29.9° |
| C10 | C9 | C8 | H9 | 176.3° | 150.0° |
| C9 | C10 | C11 | H18 | 178.9° | 179.9° |
| C10 | C9 | C14 | H19 | 178.6° | 180.0° |
| C11 | C12 | C15 | C13 | 178.3° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C11 | C12 | C15 | C16 | 75.1° | 90.0° |
| C12 | C11 | C10 | H10 | 178.9° | 179.8° |
| C11 | C12 | C13 | H11 | 179.6° | 180.0° |
| C11 | C12 | C15 | H12 | 164.4° | 150.0° |
| C11 | C12 | C15 | H13 | 45.4° | 30.1° |
| C9 | C14 | C13 | C12 | 1.5° | 0.0° |
| C9 | C14 | C13 | H19 | 180.0° | 179.9° |
| C14 | C9 | C8 | H8 | 124.3° | 150.0° |
| C14 | C9 | C8 | H9 | 5.3° | 29.9° |
| C14 | C9 | C10 | H10 | 180.0° | 179.7° |
| C9 | C14 | C13 | H11 | 178.5° | 179.9° |
| C19 | C18 | C17 | H22 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.2° |
| C19 | C18 | C17 | N2 | 179.0° | 179.9° |
| C19 | C18 | C17 | C22 | 1.6° | 0.2° |
| C18 | C19 | C20 | H14 | 179.9° | 180.0° |
| C20 | C19 | C18 | C17 | 1.2° | 0.0° |
| C19 | C20 | C21 | H14 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.9° | 0.2° |
| C19 | C20 | C21 | CL1 | 179.5° | 179.8° |
| C20 | C19 | C18 | H22 | 178.8° | 180.0° |
| C18 | C17 | N2 | C22 | 177.4° | 179.9° |
| C18 | C17 | C22 | C21 | 0.7° | 0.2° |
| C18 | C17 | N2 | C16 | 102.5° | 179.7° |
| C18 | C17 | C22 | H15 | 179.3° | 179.7° |
| C18 | C17 | N2 | H26 | 136.8° | 0.1° |
| C20 | C21 | C22 | C17 | 0.5° | 0.0° |
| C20 | C21 | C22 | CL1 | 179.7° | 180.0° |
| C20 | C21 | C22 | H15 | 179.5° | 179.9° |
| C15 | C12 | C13 | C14 | 177.9° | 180.0° |
| C12 | C15 | C16 | H12 | 120.5° | 120.0° |
| C12 | C15 | C16 | H13 | 120.5° | 120.1° |
| C12 | C15 | C16 | N2 | 166.6° | 180.0° |
| C15 | C12 | C13 | H11 | 2.1° | 0.1° |
| C12 | C15 | H12 | H13 | 118.5° | 120.0° |
| C15 | C12 | C11 | H18 | 0.7° | 0.0° |
| C12 | C15 | C16 | H20 | 46.1° | 60.0° |
| C12 | C15 | C16 | H21 | 73.0° | 60.0° |
| C12 | C13 | C14 | H11 | 180.0° | 180.0° |
| C13 | C12 | C15 | C16 | 103.2° | 90.0° |
| C13 | C12 | C15 | H12 | 17.3° | 30.0° |
| C13 | C12 | C15 | H13 | 136.3° | 150.0° |
| C13 | C12 | C11 | H18 | 179.0° | 180.0° |
| C12 | C13 | C14 | H19 | 178.5° | 180.0° |
| C15 | C16 | N2 | C17 | 1.6° | 179.9° |
| C15 | C16 | N2 | H20 | 120.4° | 120.0° |
| C15 | C16 | N2 | H21 | 120.4° | 120.0° |
| C16 | C15 | H12 | H13 | 118.4° | 120.0° |
| C15 | C16 | H20 | H21 | 118.7° | 119.9° |
| C15 | C16 | N2 | H26 | 122.3° | 0.0° |
| N2 | C17 | C22 | C21 | 178.1° | 180.0° |
| C17 | N2 | C16 | H26 | 120.7° | 179.9° |
| N2 | C17 | C22 | H15 | 1.8° | 0.1° |
| C17 | N2 | C16 | H20 | 122.0° | 60.0° |
| C17 | N2 | C16 | H21 | 118.8° | 59.9° |
| N2 | C17 | C18 | H22 | 1.1° | 0.1° |
| C17 | C22 | C21 | H15 | 180.0° | 179.9° |
| C17 | C22 | C21 | CL1 | 179.8° | 180.0° |
| C22 | C17 | N2 | C16 | 74.9° | 0.1° |
| C22 | C17 | C18 | H22 | 178.4° | 179.8° |
| C22 | C17 | N2 | H26 | 45.8° | 180.0° |
| C22 | C21 | C20 | H14 | 179.1° | 180.0° |
| CL1 | C21 | C20 | H14 | 0.6° | 0.0° |
| CL1 | C21 | C22 | H15 | 0.2° | 0.1° |
| N2 | C16 | C15 | H12 | 72.9° | 60.0° |
| N2 | C16 | C15 | H13 | 46.0° | 59.9° |
| N2 | C16 | H20 | H21 | 118.7° | 120.0° |
| H2 | C4 | C5 | H3 | 178.1° | 177.8° |
| H2 | C4 | C3 | H25 | 179.2° | 179.2° |
| H2 | C4 | O3 | H29 | 63.7° | 60.0° |
| H3 | C5 | C1 | H17 | 176.9° | 177.8° |
| H3 | C5 | O2 | H28 | 58.4° | 59.9° |
| H4 | C6 | C3 | H25 | 75.1° | 63.4° |
| H4 | C6 | O4 | H30 | 60.3° | 60.0° |
| H5 | C6 | C3 | H25 | 45.4° | 56.6° |
| H5 | C6 | O4 | H30 | 60.3° | 60.0° |
| H6 | C7 | C8 | H8 | 170.5° | 180.0° |
| H6 | C7 | C8 | H9 | 51.5° | 60.0° |
| H7 | C7 | C8 | H8 | 69.3° | 60.0° |
| H7 | C7 | C8 | H9 | 171.6° | 180.0° |
| H10 | C10 | C11 | H18 | 1.2° | 0.2° |
| H11 | C13 | C14 | H19 | 1.5° | 0.0° |
| H12 | C15 | C16 | H20 | 166.7° | 180.0° |
| H12 | C15 | C16 | H21 | 47.5° | 60.0° |
| H13 | C15 | C16 | H20 | 74.4° | 60.1° |
| H13 | C15 | C16 | H21 | 166.4° | 180.0° |
| H17 | C1 | C2 | H23 | 74.0° | 179.2° |
| H17 | C1 | C2 | H24 | 165.2° | 59.2° |
| H17 | C1 | O1 | H27 | 58.6° | 59.9° |
| H20 | C16 | N2 | H26 | 117.3° | 120.1° |
| H21 | C16 | N2 | H26 | 1.9° | 119.9° |
