WJT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| O2 | C2 | sing | 1.43Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | sing | 1.53Å | 1.46Å | |
| O4 | C6 | sing | 1.43Å | 1.44Å | |
| C4 | N1 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.44Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | C5 | sing | 1.53Å | 1.54Å | |
| N1 | C7 | sing | 1.47Å | 1.25Å | |
| N1 | C5 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | sing | 1.51Å | 1.57Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| O5 | S1 | doub | 1.42Å | 1.65Å | |
| O6 | S1 | doub | 1.42Å | 1.66Å | |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| S1 | C16 | sing | 1.81Å | 1.83Å | |
| S1 | C15 | sing | 1.76Å | 1.83Å | |
| C24 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| C15 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | N2 | sing | 1.47Å | 1.48Å | |
| C13 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N2 | sing | 1.40Å | 1.46Å | |
| C18 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.53Å | |
| N4 | C19 | doub | 1.33Å | 1.32Å | Aromatic |
| N4 | N3 | sing | 1.28Å | 1.35Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| N3 | C22 | doub | 1.32Å | 1.33Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.43Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.08Å | 1.08Å | |
| N2 | H27 | sing | 0.97Å | 1.00Å | |
| O1 | H28 | sing | 0.97Å | 0.95Å | |
| O2 | H29 | sing | 0.97Å | 0.95Å | |
| O3 | H30 | sing | 0.97Å | 0.95Å | |
| O4 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 110.1° | 109.5° |
| O3 | C3 | C2 | 110.4° | 109.5° |
| O3 | C3 | H25 | 109.3° | 109.5° |
| C3 | O3 | H30 | 109.5° | 114.0° |
| O2 | C2 | C3 | 105.7° | 109.6° |
| O2 | C2 | C1 | 108.7° | 109.5° |
| O2 | C2 | H22 | 111.7° | 109.5° |
| C2 | O2 | H29 | 109.5° | 113.9° |
| C4 | C3 | C2 | 110.3° | 109.3° |
| C3 | C4 | N1 | 110.4° | 109.5° |
| C3 | C4 | H2 | 109.2° | 109.5° |
| C3 | C4 | H3 | 109.2° | 109.5° |
| C4 | C3 | H25 | 107.8° | 109.5° |
| C3 | C2 | C1 | 105.5° | 109.2° |
| C3 | C2 | H22 | 112.2° | 109.6° |
| C2 | C3 | H25 | 108.9° | 109.6° |
| O4 | C6 | C5 | 106.7° | 109.5° |
| O4 | C6 | H5 | 110.2° | 109.5° |
| O4 | C6 | H6 | 110.2° | 109.4° |
| C6 | O4 | H31 | 109.5° | 114.0° |
| C4 | N1 | C7 | 112.6° | 111.0° |
| C4 | N1 | C5 | 109.5° | 111.2° |
| N1 | C4 | H2 | 109.3° | 109.4° |
| N1 | C4 | H3 | 109.3° | 109.4° |
| C2 | C1 | O1 | 112.3° | 109.5° |
| C2 | C1 | C5 | 114.0° | 109.3° |
| C2 | C1 | H15 | 106.0° | 109.6° |
| C1 | C2 | H22 | 112.6° | 109.5° |
| O1 | C1 | C5 | 112.4° | 109.5° |
| O1 | C1 | H15 | 106.3° | 109.5° |
| C1 | O1 | H28 | 109.5° | 114.0° |
| C1 | C5 | N1 | 108.3° | 109.5° |
| C1 | C5 | C6 | 107.2° | 109.5° |
| C1 | C5 | H4 | 109.7° | 109.4° |
| C5 | C1 | H15 | 105.0° | 109.5° |
| C7 | N1 | C5 | 118.4° | 111.0° |
| N1 | C7 | C8 | 115.1° | 109.5° |
| N1 | C7 | H7 | 108.0° | 109.5° |
| N1 | C7 | H8 | 108.1° | 109.4° |
| N1 | C5 | C6 | 111.2° | 109.5° |
| N1 | C5 | H4 | 110.5° | 109.5° |
| C7 | C8 | C9 | 120.6° | 120.0° |
| C7 | C8 | C25 | 123.1° | 120.0° |
| C8 | C7 | H7 | 108.1° | 109.5° |
| C8 | C7 | H8 | 108.0° | 109.5° |
| C6 | C5 | H4 | 109.8° | 109.5° |
| C5 | C6 | H5 | 110.1° | 109.5° |
| C5 | C6 | H6 | 110.1° | 109.5° |
| C9 | C8 | C25 | 116.3° | 120.0° |
| C8 | C9 | C10 | 126.6° | 120.0° |
| C8 | C9 | H26 | 116.7° | 120.0° |
| C8 | C25 | C24 | 118.8° | 120.0° |
| C8 | C25 | H24 | 120.6° | 120.0° |
| C9 | C10 | C11 | 115.9° | 120.0° |
| C9 | C10 | H9 | 122.0° | 120.0° |
| C10 | C9 | H26 | 116.7° | 120.1° |
| O5 | S1 | O6 | 111.0° | 121.0° |
| O5 | S1 | C16 | 107.6° | 110.6° |
| O5 | S1 | C15 | 110.1° | 104.3° |
| O6 | S1 | C16 | 115.6° | 110.6° |
| O6 | S1 | C15 | 103.4° | 104.2° |
| C25 | C24 | C11 | 123.0° | 120.0° |
| C25 | C24 | H14 | 118.5° | 120.1° |
| C24 | C25 | H24 | 120.6° | 120.0° |
| C10 | C11 | C24 | 119.3° | 120.0° |
| C10 | C11 | C12 | 117.5° | 120.0° |
| C11 | C10 | H9 | 122.0° | 120.0° |
| C16 | S1 | C15 | 109.1° | 104.4° |
| S1 | C16 | H19 | 109.5° | 109.4° |
| S1 | C16 | H20 | 109.4° | 109.5° |
| S1 | C16 | H21 | 109.4° | 109.5° |
| S1 | C15 | C17 | 120.9° | 119.9° |
| S1 | C15 | C14 | 118.6° | 119.9° |
| C24 | C11 | C12 | 123.2° | 120.0° |
| C11 | C24 | H14 | 118.5° | 120.0° |
| C11 | C12 | N2 | 116.8° | 109.5° |
| C11 | C12 | H16 | 107.6° | 109.5° |
| C11 | C12 | H17 | 107.6° | 109.5° |
| C17 | C15 | C14 | 120.5° | 120.2° |
| C15 | C17 | C18 | 119.1° | 120.0° |
| C15 | C17 | H10 | 120.4° | 120.0° |
| C15 | C14 | C13 | 120.0° | 120.2° |
| C15 | C14 | H18 | 120.0° | 119.9° |
| C17 | C18 | C23 | 119.7° | 119.8° |
| C17 | C18 | C19 | 120.1° | 120.1° |
| C18 | C17 | H10 | 120.4° | 120.0° |
| C14 | C13 | C23 | 120.2° | 120.0° |
| C14 | C13 | N2 | 119.7° | 120.0° |
| C13 | C14 | H18 | 120.0° | 119.9° |
| C12 | N2 | C13 | 125.3° | 120.0° |
| N2 | C12 | H16 | 107.6° | 109.5° |
| N2 | C12 | H17 | 107.6° | 109.5° |
| C12 | N2 | H27 | 105.4° | 120.0° |
| C23 | C13 | N2 | 120.1° | 120.0° |
| C13 | C23 | C18 | 120.5° | 119.8° |
| C13 | C23 | H23 | 119.8° | 120.1° |
| C13 | N2 | H27 | 105.4° | 120.0° |
| C23 | C18 | C19 | 120.2° | 120.1° |
| C18 | C23 | H23 | 119.8° | 120.1° |
| C18 | C19 | N4 | 119.8° | 120.2° |
| C18 | C19 | C20 | 120.6° | 120.2° |
| C19 | N4 | N3 | 121.5° | 122.0° |
| N4 | C19 | C20 | 119.6° | 119.6° |
| N4 | N3 | C22 | 122.6° | 122.3° |
| C19 | C20 | C21 | 119.1° | 117.9° |
| C19 | C20 | H11 | 120.4° | 121.1° |
| N3 | C22 | C21 | 120.5° | 120.1° |
| N3 | C22 | H13 | 119.7° | 120.0° |
| C20 | C21 | C22 | 116.6° | 118.1° |
| C21 | C20 | H11 | 120.4° | 121.1° |
| C20 | C21 | H12 | 121.7° | 120.9° |
| C22 | C21 | H12 | 121.7° | 121.0° |
| C21 | C22 | H13 | 119.8° | 119.9° |
| H2 | C4 | H3 | 109.4° | 109.5° |
| H5 | C6 | H6 | 109.4° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.4° |
| H19 | C16 | H21 | 109.5° | 109.4° |
| H20 | C16 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C2 | O2 | 62.2° | 62.5° |
| O3 | C3 | C4 | C2 | 122.1° | 119.9° |
| O3 | C3 | C4 | H25 | 119.1° | 120.1° |
| O3 | C3 | C2 | H25 | 120.0° | 120.2° |
| O3 | C3 | C4 | N1 | 176.0° | 179.1° |
| O3 | C3 | C2 | C1 | 177.3° | 177.6° |
| O3 | C3 | C4 | H2 | 55.9° | 59.1° |
| O3 | C3 | C4 | H3 | 63.8° | 60.9° |
| O3 | C3 | C2 | H22 | 59.8° | 57.7° |
| O2 | C2 | C3 | C4 | 175.9° | 177.6° |
| O2 | C2 | C3 | C1 | 115.1° | 119.9° |
| O2 | C2 | C3 | H22 | 122.0° | 120.2° |
| O2 | C2 | C1 | H22 | 124.3° | 120.1° |
| O2 | C2 | C1 | O1 | 56.0° | 62.4° |
| O2 | C2 | C1 | C5 | 174.7° | 177.6° |
| O2 | C2 | C1 | H15 | 59.8° | 57.7° |
| O2 | C2 | C3 | H25 | 57.8° | 57.6° |
| C4 | C3 | C2 | H25 | 118.1° | 120.0° |
| C3 | C4 | N1 | H2 | 120.2° | 120.0° |
| C3 | C4 | N1 | H3 | 120.1° | 120.0° |
| C4 | C3 | C2 | C1 | 60.8° | 57.7° |
| C3 | C4 | N1 | C7 | 168.2° | 174.1° |
| C3 | C4 | N1 | C5 | 57.8° | 61.8° |
| C3 | C4 | H2 | H3 | 119.6° | 120.0° |
| C4 | C3 | C2 | H22 | 62.1° | 62.2° |
| C4 | C3 | O3 | H30 | 180.0° | 60.0° |
| C2 | C3 | C4 | N1 | 61.9° | 59.2° |
| C3 | C2 | C1 | H22 | 122.7° | 120.0° |
| C3 | C2 | C1 | O1 | 169.0° | 177.6° |
| C3 | C2 | C1 | C5 | 61.7° | 57.7° |
| C2 | C3 | C4 | H2 | 178.0° | 60.8° |
| C2 | C3 | C4 | H3 | 58.3° | 179.2° |
| C3 | C2 | C1 | H15 | 53.3° | 62.3° |
| C3 | C2 | O2 | H29 | 180.0° | 60.3° |
| C2 | C3 | O3 | H30 | 57.9° | 179.8° |
| O4 | C6 | C5 | C1 | 67.9° | 56.6° |
| O4 | C6 | C5 | N1 | 50.3° | 63.5° |
| O4 | C6 | C5 | H5 | 119.6° | 120.0° |
| O4 | C6 | C5 | H6 | 119.6° | 119.9° |
| O4 | C6 | C5 | H4 | 173.0° | 176.5° |
| O4 | C6 | H5 | H6 | 121.3° | 120.0° |
| C4 | N1 | C5 | C1 | 55.2° | 61.7° |
| C4 | N1 | C7 | C5 | 129.5° | 124.2° |
| C4 | N1 | C7 | C8 | 64.5° | 62.4° |
| C4 | N1 | C5 | C6 | 172.8° | 178.2° |
| N1 | C4 | H2 | H3 | 119.6° | 119.9° |
| C4 | N1 | C5 | H4 | 65.0° | 58.2° |
| C4 | N1 | C7 | H7 | 174.6° | 57.7° |
| C4 | N1 | C7 | H8 | 56.3° | 177.6° |
| N1 | C4 | C3 | H25 | 56.9° | 60.8° |
| C2 | C1 | O1 | C5 | 130.1° | 119.8° |
| C2 | C1 | O1 | H15 | 115.5° | 120.2° |
| C2 | C1 | C5 | H15 | 115.6° | 120.0° |
| C2 | C1 | C5 | N1 | 59.9° | 59.2° |
| C2 | C1 | C5 | C6 | 180.0° | 179.2° |
| C2 | C1 | C5 | H4 | 60.8° | 60.8° |
| C1 | C2 | C3 | H25 | 57.3° | 62.2° |
| C2 | C1 | O1 | H28 | 180.0° | 60.2° |
| C1 | C2 | O2 | H29 | 67.1° | 180.0° |
| O1 | C1 | C5 | H15 | 115.2° | 120.0° |
| O1 | C1 | C5 | N1 | 170.9° | 179.1° |
| O1 | C1 | C5 | C6 | 50.7° | 60.8° |
| O1 | C1 | C5 | H4 | 68.5° | 59.2° |
| O1 | C1 | C2 | H22 | 68.4° | 57.7° |
| C1 | C5 | N1 | C7 | 173.9° | 174.2° |
| C1 | C5 | N1 | C6 | 117.6° | 120.1° |
| C1 | C5 | N1 | H4 | 120.1° | 119.9° |
| C1 | C5 | C6 | H4 | 119.1° | 119.9° |
| C1 | C5 | C6 | H5 | 51.7° | 176.6° |
| C1 | C5 | C6 | H6 | 172.5° | 63.4° |
| C5 | C1 | C2 | H22 | 60.9° | 62.3° |
| C5 | C1 | O1 | H28 | 49.9° | 180.0° |
| N1 | C7 | C8 | H7 | 120.8° | 120.0° |
| N1 | C7 | C8 | H8 | 120.9° | 120.0° |
| C7 | N1 | C5 | C6 | 56.2° | 54.1° |
| N1 | C7 | C8 | C9 | 96.8° | 90.0° |
| N1 | C7 | C8 | C25 | 82.3° | 89.7° |
| C7 | N1 | C4 | H2 | 48.1° | 65.8° |
| C7 | N1 | C4 | H3 | 71.6° | 54.1° |
| C7 | N1 | C5 | H4 | 66.0° | 65.9° |
| N1 | C7 | H7 | H8 | 117.4° | 119.9° |
| C5 | N1 | C7 | C8 | 65.0° | 173.4° |
| N1 | C5 | C6 | H4 | 122.6° | 120.0° |
| C5 | N1 | C4 | H2 | 177.9° | 58.3° |
| C5 | N1 | C4 | H3 | 62.4° | 178.3° |
| N1 | C5 | C6 | H5 | 170.0° | 56.6° |
| N1 | C5 | C6 | H6 | 69.2° | 176.6° |
| C5 | N1 | C7 | H7 | 55.8° | 66.6° |
| C5 | N1 | C7 | H8 | 174.1° | 53.4° |
| N1 | C5 | C1 | H15 | 55.7° | 60.8° |
| C7 | C8 | C9 | C25 | 179.2° | 179.7° |
| C7 | C8 | C9 | C10 | 179.9° | 180.0° |
| C7 | C8 | C25 | C24 | 179.0° | 180.0° |
| C8 | C7 | H7 | H8 | 117.4° | 120.0° |
| C7 | C8 | C25 | H24 | 1.0° | 0.0° |
| C7 | C8 | C9 | H26 | 0.1° | 0.0° |
| C5 | C6 | H5 | H6 | 121.2° | 120.0° |
| C6 | C5 | C1 | H15 | 64.4° | 59.2° |
| C5 | C6 | O4 | H31 | 180.0° | 180.0° |
| C8 | C9 | C10 | H26 | 180.0° | 180.0° |
| C9 | C8 | C25 | C24 | 1.9° | 0.2° |
| C8 | C9 | C10 | C11 | 1.2° | 0.0° |
| C9 | C8 | C7 | H7 | 142.3° | 30.0° |
| C9 | C8 | C7 | H8 | 24.0° | 150.0° |
| C8 | C9 | C10 | H9 | 178.8° | 179.7° |
| C9 | C8 | C25 | H24 | 178.2° | 179.7° |
| C25 | C8 | C9 | C10 | 1.0° | 0.3° |
| C8 | C25 | C24 | H24 | 180.0° | 180.0° |
| C8 | C25 | C24 | C11 | 3.2° | 0.1° |
| C25 | C8 | C7 | H7 | 38.5° | 150.3° |
| C25 | C8 | C7 | H8 | 156.9° | 30.2° |
| C8 | C25 | C24 | H14 | 176.8° | 179.7° |
| C25 | C8 | C9 | H26 | 179.0° | 179.7° |
| C9 | C10 | C11 | H9 | 180.0° | 179.7° |
| C9 | C10 | C11 | C24 | 2.4° | 0.3° |
| C9 | C10 | C11 | C12 | 179.5° | 179.7° |
| O5 | S1 | O6 | C16 | 122.9° | 131.6° |
| O5 | S1 | O6 | C15 | 118.0° | 116.7° |
| O5 | S1 | C16 | C15 | 119.4° | 111.6° |
| O5 | S1 | C15 | C17 | 140.9° | 153.9° |
| O5 | S1 | C15 | C14 | 38.9° | 25.8° |
| O5 | S1 | C16 | H19 | 180.0° | 68.4° |
| O5 | S1 | C16 | H20 | 60.0° | 171.7° |
| O5 | S1 | C16 | H21 | 60.0° | 51.6° |
| O6 | S1 | C16 | C15 | 116.0° | 111.6° |
| O6 | S1 | C15 | C17 | 22.2° | 26.1° |
| O6 | S1 | C15 | C14 | 157.5° | 153.6° |
| O6 | S1 | C16 | H19 | 55.3° | 68.4° |
| O6 | S1 | C16 | H20 | 64.7° | 51.5° |
| O6 | S1 | C16 | H21 | 175.3° | 171.6° |
| C25 | C24 | C11 | C10 | 3.5° | 0.3° |
| C25 | C24 | C11 | H14 | 180.0° | 179.6° |
| C25 | C24 | C11 | C12 | 178.4° | 179.7° |
| C10 | C11 | C24 | C12 | 178.1° | 180.0° |
| C10 | C11 | C12 | N2 | 111.4° | 90.0° |
| C10 | C11 | C24 | H14 | 176.5° | 180.0° |
| C10 | C11 | C12 | H16 | 9.7° | 150.0° |
| C10 | C11 | C12 | H17 | 127.5° | 30.0° |
| C11 | C10 | C9 | H26 | 178.8° | 180.0° |
| C16 | S1 | C15 | C17 | 101.3° | 90.0° |
| C16 | S1 | C15 | C14 | 78.9° | 90.3° |
| S1 | C16 | H19 | H20 | 120.0° | 120.0° |
| S1 | C16 | H19 | H21 | 120.0° | 120.0° |
| S1 | C16 | H20 | H21 | 120.0° | 120.1° |
| S1 | C15 | C17 | C14 | 179.8° | 179.7° |
| S1 | C15 | C17 | C18 | 179.5° | 180.0° |
| S1 | C15 | C14 | C13 | 178.5° | 179.7° |
| S1 | C15 | C17 | H10 | 0.4° | 0.3° |
| S1 | C15 | C14 | H18 | 1.5° | 0.3° |
| C15 | S1 | C16 | H19 | 60.6° | 180.0° |
| C15 | S1 | C16 | H20 | 179.4° | 60.0° |
| C15 | S1 | C16 | H21 | 59.4° | 60.0° |
| C24 | C11 | C12 | N2 | 66.7° | 90.0° |
| C24 | C11 | C10 | H9 | 177.6° | 180.0° |
| C24 | C11 | C12 | H16 | 172.3° | 30.0° |
| C24 | C11 | C12 | H17 | 54.4° | 150.0° |
| C11 | C24 | C25 | H24 | 176.8° | 180.0° |
| C11 | C12 | N2 | H16 | 121.1° | 120.0° |
| C11 | C12 | N2 | H17 | 121.0° | 120.0° |
| C11 | C12 | N2 | C13 | 38.9° | 180.0° |
| C12 | C11 | C10 | H9 | 0.5° | 0.0° |
| C12 | C11 | C24 | H14 | 1.6° | 0.0° |
| C11 | C12 | H16 | H17 | 116.7° | 120.0° |
| C11 | C12 | N2 | H27 | 161.0° | 0.0° |
| C15 | C17 | C18 | H10 | 180.0° | 179.7° |
| C17 | C15 | C14 | C13 | 1.3° | 0.0° |
| C15 | C17 | C18 | C23 | 2.0° | 0.6° |
| C15 | C17 | C18 | C19 | 179.1° | 180.0° |
| C17 | C15 | C14 | H18 | 178.7° | 180.0° |
| C14 | C15 | C17 | C18 | 0.7° | 0.3° |
| C15 | C14 | C13 | H18 | 180.0° | 179.9° |
| C15 | C14 | C13 | C23 | 1.9° | 0.0° |
| C15 | C14 | C13 | N2 | 178.5° | 179.8° |
| C14 | C15 | C17 | H10 | 179.3° | 180.0° |
| C17 | C18 | C23 | C13 | 1.4° | 0.5° |
| C17 | C18 | C23 | C19 | 177.1° | 179.5° |
| C17 | C18 | C19 | N4 | 21.9° | 0.0° |
| C17 | C18 | C19 | C20 | 155.4° | 180.0° |
| C17 | C18 | C23 | H23 | 178.5° | 179.4° |
| C14 | C13 | N2 | C12 | 46.1° | 179.7° |
| C14 | C13 | C23 | N2 | 179.6° | 179.8° |
| C14 | C13 | C23 | C18 | 0.5° | 0.2° |
| C14 | C13 | C23 | H23 | 179.5° | 179.7° |
| C14 | C13 | N2 | H27 | 76.1° | 0.2° |
| C12 | N2 | C13 | C23 | 134.3° | 0.1° |
| C12 | N2 | C13 | H27 | 122.1° | 180.0° |
| N2 | C12 | H16 | H17 | 116.7° | 120.0° |
| C13 | C23 | C18 | H23 | 180.0° | 179.9° |
| C13 | C23 | C18 | C19 | 178.5° | 180.0° |
| C23 | C13 | C14 | H18 | 178.1° | 179.9° |
| C23 | C13 | N2 | H27 | 103.6° | 180.0° |
| N2 | C13 | C23 | C18 | 179.8° | 180.0° |
| C13 | N2 | C12 | H16 | 82.2° | 60.0° |
| C13 | N2 | C12 | H17 | 159.9° | 60.0° |
| N2 | C13 | C14 | H18 | 1.5° | 0.3° |
| N2 | C13 | C23 | H23 | 0.1° | 0.1° |
| C23 | C18 | C19 | N4 | 161.1° | 179.5° |
| C23 | C18 | C19 | C20 | 21.6° | 0.5° |
| C23 | C18 | C17 | H10 | 178.0° | 179.8° |
| C18 | C19 | N4 | C20 | 177.3° | 180.0° |
| C18 | C19 | N4 | N3 | 178.0° | 180.0° |
| C18 | C19 | C20 | C21 | 178.2° | 180.0° |
| C19 | C18 | C17 | H10 | 0.9° | 0.3° |
| C18 | C19 | C20 | H11 | 1.8° | 0.1° |
| C19 | C18 | C23 | H23 | 1.5° | 0.1° |
| C19 | N4 | N3 | C22 | 0.0° | 0.0° |
| N4 | C19 | C20 | C21 | 0.9° | 0.0° |
| N4 | C19 | C20 | H11 | 179.1° | 180.0° |
| N3 | N4 | C19 | C20 | 0.7° | 0.0° |
| N4 | N3 | C22 | C21 | 0.3° | 0.0° |
| N4 | N3 | C22 | H13 | 179.7° | 180.0° |
| C19 | C20 | C21 | H11 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.5° | 0.1° |
| C19 | C20 | C21 | H12 | 179.5° | 180.0° |
| N3 | C22 | C21 | C20 | 0.1° | 0.1° |
| N3 | C22 | C21 | H13 | 180.0° | 180.0° |
| N3 | C22 | C21 | H12 | 179.9° | 180.0° |
| C20 | C21 | C22 | H12 | 180.0° | 179.9° |
| C20 | C21 | C22 | H13 | 180.0° | 180.0° |
| C22 | C21 | C20 | H11 | 179.5° | 180.0° |
| H2 | C4 | C3 | H25 | 63.3° | 179.2° |
| H3 | C4 | C3 | H25 | 177.1° | 59.2° |
| H4 | C5 | C6 | H5 | 67.4° | 63.4° |
| H4 | C5 | C6 | H6 | 53.4° | 56.6° |
| H4 | C5 | C1 | H15 | 176.4° | 179.2° |
| H5 | C6 | O4 | H31 | 60.4° | 60.0° |
| H6 | C6 | O4 | H31 | 60.4° | 60.0° |
| H9 | C10 | C9 | H26 | 1.2° | 0.3° |
| H11 | C20 | C21 | H12 | 0.5° | 0.1° |
| H12 | C21 | C22 | H13 | 0.1° | 0.1° |
| H14 | C24 | C25 | H24 | 3.2° | 0.3° |
| H15 | C1 | C2 | H22 | 175.9° | 177.8° |
| H15 | C1 | O1 | H28 | 64.4° | 59.9° |
| H16 | C12 | N2 | H27 | 39.9° | 120.0° |
| H17 | C12 | N2 | H27 | 78.0° | 120.0° |
| H19 | C16 | H20 | H21 | 120.0° | 120.0° |
| H22 | C2 | C3 | H25 | 179.8° | 177.8° |
| H22 | C2 | O2 | H29 | 57.7° | 59.9° |
| H25 | C3 | O3 | H30 | 61.8° | 60.1° |
