WS5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.35Å | 1.35Å | |
| C1 | C25 | doub | 1.39Å | 1.36Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| O4 | S1 | doub | 1.42Å | 1.43Å | |
| O1 | S1 | doub | 1.42Å | 1.44Å | |
| S1 | C5 | sing | 1.81Å | 1.79Å | |
| S1 | N1 | sing | 1.66Å | 1.59Å | |
| N1 | C6 | sing | 1.47Å | 1.43Å | |
| N1 | C23 | sing | 1.47Å | 1.46Å | |
| C6 | C20 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C7 | N2 | sing | 1.35Å | 1.31Å | |
| C7 | O3 | doub | 1.21Å | 1.23Å | |
| O2 | C13 | doub | 1.21Å | 1.24Å | |
| N2 | C8 | sing | 1.47Å | 1.44Å | |
| N4 | C16 | doub | 1.32Å | 1.35Å | Aromatic |
| N4 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.51Å | 1.53Å | |
| C13 | N3 | sing | 1.35Å | 1.34Å | |
| C17 | C18 | doub | 1.38Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.51Å | |
| N3 | C14 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | C25 | 118.9° | 120.0° |
| F1 | C1 | C2 | 117.9° | 120.1° |
| C25 | C1 | C2 | 123.2° | 119.9° |
| C1 | C25 | C24 | 117.8° | 120.0° |
| C1 | C25 | H33 | 121.1° | 120.0° |
| C1 | C2 | C3 | 118.2° | 120.0° |
| C1 | C2 | H1 | 120.9° | 120.0° |
| C25 | C24 | C4 | 121.2° | 120.0° |
| C25 | C24 | H32 | 119.4° | 120.0° |
| C24 | C25 | H33 | 121.1° | 120.0° |
| C2 | C3 | C4 | 121.3° | 120.0° |
| C3 | C2 | H1 | 120.9° | 120.0° |
| C2 | C3 | H2 | 119.4° | 120.0° |
| C24 | C4 | C3 | 118.3° | 120.1° |
| C24 | C4 | C5 | 121.7° | 120.0° |
| C4 | C24 | H32 | 119.4° | 120.0° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C4 | C3 | H2 | 119.3° | 120.0° |
| C4 | C5 | S1 | 114.8° | 109.5° |
| C4 | C5 | H4 | 108.1° | 109.5° |
| C4 | C5 | H3 | 108.1° | 109.5° |
| O4 | S1 | O1 | 119.6° | 121.0° |
| O4 | S1 | C5 | 108.2° | 110.5° |
| O4 | S1 | N1 | 106.8° | 104.2° |
| O1 | S1 | C5 | 106.0° | 110.6° |
| O1 | S1 | N1 | 109.4° | 104.3° |
| C5 | S1 | N1 | 106.2° | 104.5° |
| S1 | C5 | H4 | 108.1° | 109.4° |
| S1 | C5 | H3 | 108.1° | 109.4° |
| S1 | N1 | C6 | 118.5° | 120.7° |
| S1 | N1 | C23 | 124.9° | 120.6° |
| C6 | N1 | C23 | 116.5° | 118.7° |
| N1 | C6 | C20 | 106.3° | 108.8° |
| N1 | C6 | C7 | 121.5° | 109.6° |
| N1 | C6 | H5 | 107.2° | 109.6° |
| N1 | C23 | C22 | 109.4° | 108.8° |
| N1 | C23 | H30 | 109.5° | 109.6° |
| N1 | C23 | H31 | 109.5° | 109.6° |
| C20 | C6 | C7 | 108.1° | 109.6° |
| C6 | C20 | C21 | 111.1° | 109.3° |
| C20 | C6 | H5 | 106.1° | 109.6° |
| C6 | C20 | H25 | 109.0° | 109.5° |
| C6 | C20 | H24 | 109.1° | 109.5° |
| C6 | C7 | N2 | 114.9° | 120.0° |
| C6 | C7 | O3 | 123.3° | 120.0° |
| C7 | C6 | H5 | 106.6° | 109.7° |
| C23 | C22 | C21 | 109.6° | 109.3° |
| C23 | C22 | H29 | 109.4° | 109.5° |
| C23 | C22 | H28 | 109.4° | 109.5° |
| C22 | C23 | H30 | 109.5° | 109.6° |
| C22 | C23 | H31 | 109.5° | 109.6° |
| C20 | C21 | C22 | 109.8° | 109.5° |
| C21 | C20 | H25 | 109.1° | 109.4° |
| C21 | C20 | H24 | 109.0° | 109.5° |
| C20 | C21 | H27 | 109.4° | 109.5° |
| C20 | C21 | H26 | 109.4° | 109.4° |
| C22 | C21 | H27 | 109.4° | 109.5° |
| C22 | C21 | H26 | 109.4° | 109.4° |
| C21 | C22 | H29 | 109.4° | 109.5° |
| C21 | C22 | H28 | 109.4° | 109.5° |
| N2 | C7 | O3 | 121.4° | 120.1° |
| C7 | N2 | C8 | 116.1° | 120.0° |
| C7 | N2 | H6 | 122.0° | 120.0° |
| O2 | C13 | C8 | 121.1° | 120.0° |
| O2 | C13 | N3 | 121.8° | 120.0° |
| N2 | C8 | C13 | 114.1° | 109.5° |
| N2 | C8 | C9 | 110.4° | 109.4° |
| N2 | C8 | H7 | 108.7° | 109.5° |
| C8 | N2 | H6 | 121.9° | 120.0° |
| C16 | N4 | C17 | 116.3° | 121.8° |
| N4 | C16 | C15 | 124.2° | 120.7° |
| N4 | C16 | H20 | 117.9° | 119.7° |
| N4 | C17 | C18 | 123.3° | 120.7° |
| N4 | C17 | H21 | 118.4° | 119.6° |
| C16 | C15 | C14 | 120.9° | 120.4° |
| C16 | C15 | C19 | 117.3° | 119.2° |
| C15 | C16 | H20 | 117.9° | 119.6° |
| C8 | C13 | N3 | 117.1° | 120.0° |
| C13 | C8 | C9 | 108.2° | 109.5° |
| C13 | C8 | H7 | 107.6° | 109.5° |
| C13 | N3 | C14 | 120.9° | 120.0° |
| C13 | N3 | H17 | 119.6° | 120.0° |
| C17 | C18 | C19 | 119.3° | 119.2° |
| C18 | C17 | H21 | 118.4° | 119.7° |
| C17 | C18 | H22 | 120.3° | 120.4° |
| C8 | C9 | C10 | 117.7° | 109.5° |
| C9 | C8 | H7 | 107.6° | 109.5° |
| C8 | C9 | H8 | 107.4° | 109.5° |
| C8 | C9 | H9 | 107.4° | 109.4° |
| C9 | C10 | C11 | 111.6° | 109.4° |
| C9 | C10 | C12 | 109.0° | 109.5° |
| C9 | C10 | H10 | 108.9° | 109.5° |
| C10 | C9 | H8 | 107.4° | 109.5° |
| C10 | C9 | H9 | 107.4° | 109.4° |
| C14 | C15 | C19 | 121.8° | 120.4° |
| C15 | C14 | N3 | 113.2° | 109.4° |
| C15 | C14 | H19 | 108.5° | 109.5° |
| C15 | C14 | H18 | 108.5° | 109.5° |
| C15 | C19 | C18 | 119.6° | 118.4° |
| C15 | C19 | H23 | 120.2° | 120.8° |
| C11 | C10 | C12 | 109.4° | 109.5° |
| C11 | C10 | H10 | 108.9° | 109.5° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| C10 | C11 | H12 | 109.4° | 109.4° |
| C10 | C11 | H11 | 109.4° | 109.5° |
| C12 | C10 | H10 | 109.0° | 109.5° |
| C10 | C12 | H16 | 109.5° | 109.5° |
| C10 | C12 | H14 | 109.5° | 109.4° |
| C10 | C12 | H15 | 109.5° | 109.5° |
| C14 | N3 | H17 | 119.5° | 120.0° |
| N3 | C14 | H19 | 108.5° | 109.5° |
| N3 | C14 | H18 | 108.5° | 109.5° |
| C19 | C18 | H22 | 120.3° | 120.5° |
| C18 | C19 | H23 | 120.2° | 120.8° |
| H4 | C5 | H3 | 109.5° | 109.5° |
| H25 | C20 | H24 | 109.5° | 109.5° |
| H27 | C21 | H26 | 109.5° | 109.5° |
| H29 | C22 | H28 | 109.5° | 109.5° |
| H13 | C11 | H12 | 109.4° | 109.5° |
| H13 | C11 | H11 | 109.5° | 109.5° |
| H12 | C11 | H11 | 109.5° | 109.5° |
| H16 | C12 | H14 | 109.4° | 109.5° |
| H16 | C12 | H15 | 109.4° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H19 | C14 | H18 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.7° |
| H8 | C9 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | C25 | C2 | 178.7° | 179.8° |
| F1 | C1 | C25 | C24 | 178.8° | 180.0° |
| F1 | C1 | C2 | C3 | 178.9° | 180.0° |
| F1 | C1 | C2 | H1 | 1.1° | 0.3° |
| F1 | C1 | C25 | H33 | 1.2° | 0.0° |
| C1 | C25 | C24 | H33 | 180.0° | 180.0° |
| C25 | C1 | C2 | C3 | 0.1° | 0.3° |
| C1 | C25 | C24 | C4 | 3.4° | 0.0° |
| C1 | C25 | C24 | H32 | 176.6° | 180.0° |
| C25 | C1 | C2 | H1 | 179.9° | 180.0° |
| C2 | C1 | C25 | C24 | 2.5° | 0.3° |
| C1 | C2 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 1.4° | 0.0° |
| C2 | C1 | C25 | H33 | 177.5° | 179.7° |
| C1 | C2 | C3 | H2 | 178.6° | 180.0° |
| C25 | C24 | C4 | H32 | 180.0° | 180.0° |
| C25 | C24 | C4 | C3 | 2.0° | 0.2° |
| C25 | C24 | C4 | C5 | 179.6° | 180.0° |
| C2 | C3 | C4 | C24 | 0.5° | 0.2° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 177.2° | 180.0° |
| C24 | C4 | C3 | C5 | 177.6° | 179.8° |
| C24 | C4 | C5 | S1 | 81.0° | 90.0° |
| C24 | C4 | C5 | H4 | 39.8° | 150.1° |
| C24 | C4 | C5 | H3 | 158.2° | 30.0° |
| C4 | C24 | C25 | H33 | 176.6° | 180.0° |
| C24 | C4 | C3 | H2 | 179.5° | 179.7° |
| C3 | C4 | C5 | S1 | 96.6° | 90.2° |
| C3 | C4 | C5 | H4 | 142.6° | 29.7° |
| C3 | C4 | C5 | H3 | 24.2° | 149.8° |
| C3 | C4 | C24 | H32 | 178.0° | 179.8° |
| C4 | C3 | C2 | H1 | 178.6° | 179.8° |
| C4 | C5 | S1 | O4 | 62.2° | 68.4° |
| C4 | C5 | S1 | O1 | 67.3° | 68.4° |
| C4 | C5 | S1 | H4 | 120.8° | 120.0° |
| C4 | C5 | S1 | H3 | 120.8° | 120.1° |
| C4 | C5 | S1 | N1 | 176.5° | 180.0° |
| C4 | C5 | H4 | H3 | 117.5° | 120.1° |
| C5 | C4 | C24 | H32 | 0.4° | 0.0° |
| C5 | C4 | C3 | H2 | 2.8° | 0.1° |
| O4 | S1 | O1 | C5 | 122.5° | 131.5° |
| O4 | S1 | O1 | N1 | 123.5° | 116.7° |
| O4 | S1 | C5 | N1 | 114.3° | 111.6° |
| O4 | S1 | N1 | C6 | 154.6° | 28.5° |
| O4 | S1 | N1 | C23 | 22.5° | 151.3° |
| O4 | S1 | C5 | H4 | 58.6° | 171.6° |
| O4 | S1 | C5 | H3 | 177.0° | 51.6° |
| O1 | S1 | C5 | N1 | 116.2° | 111.7° |
| O1 | S1 | N1 | C6 | 23.8° | 156.4° |
| O1 | S1 | N1 | C23 | 153.3° | 23.4° |
| O1 | S1 | C5 | H4 | 171.9° | 51.6° |
| O1 | S1 | C5 | H3 | 53.5° | 171.6° |
| C5 | S1 | N1 | C6 | 90.1° | 87.5° |
| C5 | S1 | N1 | C23 | 92.8° | 92.7° |
| S1 | C5 | H4 | H3 | 117.6° | 119.9° |
| S1 | N1 | C6 | C23 | 177.3° | 179.8° |
| S1 | N1 | C6 | C20 | 117.1° | 126.6° |
| S1 | N1 | C6 | C7 | 118.9° | 6.8° |
| S1 | N1 | C23 | C22 | 115.9° | 126.6° |
| N1 | S1 | C5 | H4 | 55.7° | 60.0° |
| N1 | S1 | C5 | H3 | 62.7° | 59.9° |
| S1 | N1 | C6 | H5 | 3.9° | 113.5° |
| S1 | N1 | C23 | H30 | 4.1° | 113.6° |
| S1 | N1 | C23 | H31 | 124.1° | 6.9° |
| N1 | C6 | C20 | C7 | 132.0° | 119.8° |
| N1 | C6 | C20 | H5 | 113.9° | 119.8° |
| N1 | C6 | C7 | H5 | 123.1° | 120.3° |
| C6 | N1 | C23 | C22 | 61.2° | 53.6° |
| N1 | C6 | C20 | C21 | 56.3° | 54.6° |
| N1 | C6 | C7 | N2 | 15.1° | 126.8° |
| N1 | C6 | C7 | O3 | 171.6° | 53.1° |
| N1 | C6 | C20 | H25 | 176.6° | 65.3° |
| N1 | C6 | C20 | H24 | 63.9° | 174.5° |
| C6 | N1 | C23 | H30 | 178.8° | 66.2° |
| C6 | N1 | C23 | H31 | 58.8° | 173.3° |
| C23 | N1 | C6 | C20 | 60.3° | 53.6° |
| C23 | N1 | C6 | C7 | 63.8° | 173.4° |
| N1 | C23 | C22 | H30 | 120.0° | 119.8° |
| N1 | C23 | C22 | H31 | 120.0° | 119.8° |
| N1 | C23 | C22 | C21 | 55.4° | 54.7° |
| C23 | N1 | C6 | H5 | 173.4° | 66.3° |
| N1 | C23 | C22 | H29 | 64.6° | 65.4° |
| N1 | C23 | C22 | H28 | 175.4° | 174.6° |
| N1 | C23 | H30 | H31 | 120.0° | 120.3° |
| C20 | C6 | C7 | H5 | 113.7° | 120.4° |
| C6 | C20 | C21 | H25 | 120.2° | 120.0° |
| C6 | C20 | C21 | H24 | 120.2° | 120.0° |
| C6 | C20 | C21 | C22 | 56.9° | 61.3° |
| C20 | C6 | C7 | N2 | 138.3° | 113.8° |
| C20 | C6 | C7 | O3 | 48.4° | 66.2° |
| C6 | C20 | H25 | H24 | 119.3° | 120.2° |
| C6 | C20 | C21 | H27 | 63.2° | 178.6° |
| C6 | C20 | C21 | H26 | 176.9° | 58.6° |
| C7 | C6 | C20 | C21 | 75.7° | 174.4° |
| C6 | C7 | N2 | O3 | 173.4° | 179.9° |
| C6 | C7 | N2 | C8 | 177.0° | 174.7° |
| C7 | C6 | C20 | H25 | 44.6° | 54.5° |
| C7 | C6 | C20 | H24 | 164.1° | 65.7° |
| C6 | C7 | N2 | H6 | 3.0° | 5.2° |
| C23 | C22 | C21 | C20 | 55.3° | 61.4° |
| C23 | C22 | C21 | H29 | 120.0° | 120.0° |
| C23 | C22 | C21 | H28 | 120.0° | 120.0° |
| C23 | C22 | C21 | H27 | 64.7° | 178.6° |
| C23 | C22 | C21 | H26 | 175.3° | 58.6° |
| C23 | C22 | H29 | H28 | 119.9° | 120.1° |
| C22 | C23 | H30 | H31 | 120.0° | 120.4° |
| C20 | C21 | C22 | H27 | 120.0° | 120.0° |
| C20 | C21 | C22 | H26 | 120.0° | 119.9° |
| C21 | C20 | C6 | H5 | 170.3° | 65.2° |
| C21 | C20 | H25 | H24 | 119.3° | 120.0° |
| C20 | C21 | H27 | H26 | 119.8° | 119.9° |
| C20 | C21 | C22 | H29 | 64.7° | 58.6° |
| C20 | C21 | C22 | H28 | 175.3° | 178.6° |
| C22 | C21 | C20 | H25 | 177.1° | 58.6° |
| C22 | C21 | C20 | H24 | 63.4° | 178.7° |
| C22 | C21 | H27 | H26 | 119.9° | 120.0° |
| C21 | C22 | H29 | H28 | 119.9° | 120.0° |
| C21 | C22 | C23 | H30 | 175.4° | 65.1° |
| C21 | C22 | C23 | H31 | 64.6° | 174.4° |
| C7 | N2 | C8 | H6 | 180.0° | 179.9° |
| C7 | N2 | C8 | C13 | 71.8° | 150.3° |
| C7 | N2 | C8 | C9 | 166.1° | 89.7° |
| N2 | C7 | C6 | H5 | 108.0° | 6.5° |
| C7 | N2 | C8 | H7 | 48.3° | 30.3° |
| O3 | C7 | N2 | C8 | 3.6° | 5.3° |
| O3 | C7 | C6 | H5 | 65.3° | 173.4° |
| O3 | C7 | N2 | H6 | 176.5° | 174.8° |
| O2 | C13 | C8 | N2 | 37.2° | 19.9° |
| O2 | C13 | C8 | N3 | 179.4° | 179.9° |
| O2 | C13 | C8 | C9 | 86.1° | 100.1° |
| O2 | C13 | N3 | C14 | 13.2° | 5.8° |
| O2 | C13 | N3 | H17 | 166.7° | 174.2° |
| O2 | C13 | C8 | H7 | 157.9° | 139.9° |
| N2 | C8 | C13 | C9 | 123.2° | 120.0° |
| N2 | C8 | C13 | H7 | 120.7° | 120.0° |
| N2 | C8 | C13 | N3 | 143.4° | 160.1° |
| N2 | C8 | C9 | H7 | 118.5° | 120.0° |
| N2 | C8 | C9 | C10 | 69.5° | 176.3° |
| N2 | C8 | C9 | H8 | 51.7° | 56.3° |
| N2 | C8 | C9 | H9 | 169.3° | 63.7° |
| N4 | C16 | C15 | H20 | 180.0° | 180.0° |
| C16 | N4 | C17 | C18 | 0.6° | 0.3° |
| N4 | C16 | C15 | C14 | 179.3° | 180.0° |
| N4 | C16 | C15 | C19 | 0.3° | 0.2° |
| C16 | N4 | C17 | H21 | 179.4° | 179.9° |
| C17 | N4 | C16 | C15 | 0.8° | 0.1° |
| N4 | C17 | C18 | H21 | 180.0° | 179.6° |
| N4 | C17 | C18 | C19 | 0.0° | 0.3° |
| C17 | N4 | C16 | H20 | 179.2° | 179.9° |
| N4 | C17 | C18 | H22 | 180.0° | 179.7° |
| C16 | C15 | C14 | C19 | 179.5° | 179.8° |
| C16 | C15 | C14 | N3 | 112.8° | 89.8° |
| C16 | C15 | C19 | C18 | 0.4° | 0.3° |
| C16 | C15 | C14 | H19 | 7.7° | 150.3° |
| C16 | C15 | C14 | H18 | 126.6° | 30.2° |
| C16 | C15 | C19 | H23 | 179.5° | 179.7° |
| C13 | C8 | C9 | H7 | 116.0° | 120.0° |
| C13 | C8 | C9 | C10 | 165.1° | 63.6° |
| C8 | C13 | N3 | C14 | 166.1° | 174.1° |
| C8 | C13 | N3 | H17 | 13.9° | 5.9° |
| C13 | C8 | C9 | H8 | 73.8° | 176.3° |
| C13 | C8 | C9 | H9 | 43.9° | 56.3° |
| C13 | C8 | N2 | H6 | 108.2° | 29.6° |
| N3 | C13 | C8 | C9 | 93.3° | 79.9° |
| C13 | N3 | C14 | C15 | 97.4° | 180.0° |
| C13 | N3 | C14 | H17 | 180.0° | 180.0° |
| N3 | C13 | C8 | H7 | 22.7° | 40.1° |
| C13 | N3 | C14 | H19 | 23.2° | 60.0° |
| C13 | N3 | C14 | H18 | 142.1° | 60.0° |
| C17 | C18 | C19 | C15 | 0.6° | 0.0° |
| C17 | C18 | C19 | H22 | 180.0° | 180.0° |
| C17 | C18 | C19 | H23 | 179.4° | 180.0° |
| C8 | C9 | C10 | H8 | 121.2° | 120.0° |
| C8 | C9 | C10 | H9 | 121.2° | 119.9° |
| C8 | C9 | C10 | C11 | 171.0° | 64.6° |
| C8 | C9 | C10 | C12 | 68.1° | 175.5° |
| C8 | C9 | C10 | H10 | 50.8° | 55.4° |
| C8 | C9 | H8 | H9 | 116.3° | 120.0° |
| C9 | C8 | N2 | H6 | 13.9° | 90.4° |
| C9 | C10 | C11 | C12 | 120.7° | 120.0° |
| C9 | C10 | C11 | H10 | 120.3° | 120.0° |
| C9 | C10 | C12 | H10 | 118.8° | 120.0° |
| C10 | C9 | C8 | H7 | 49.0° | 56.4° |
| C9 | C10 | C11 | H13 | 180.0° | 64.4° |
| C9 | C10 | C11 | H12 | 60.0° | 175.7° |
| C9 | C10 | C11 | H11 | 60.0° | 55.7° |
| C9 | C10 | C12 | H16 | 180.0° | 60.0° |
| C9 | C10 | C12 | H14 | 60.0° | 60.0° |
| C9 | C10 | C12 | H15 | 60.0° | 180.0° |
| C10 | C9 | H8 | H9 | 116.3° | 120.0° |
| C15 | C14 | N3 | H19 | 120.5° | 119.9° |
| C15 | C14 | N3 | H18 | 120.6° | 120.0° |
| C14 | C15 | C19 | C18 | 180.0° | 180.0° |
| C15 | C14 | N3 | H17 | 82.6° | 0.0° |
| C15 | C14 | H19 | H18 | 118.3° | 120.0° |
| C14 | C15 | C16 | H20 | 0.7° | 0.0° |
| C14 | C15 | C19 | H23 | 0.0° | 0.0° |
| C19 | C15 | C14 | N3 | 67.6° | 90.0° |
| C15 | C19 | C18 | H23 | 180.0° | 180.0° |
| C19 | C15 | C14 | H19 | 171.8° | 29.9° |
| C19 | C15 | C14 | H18 | 52.9° | 150.0° |
| C19 | C15 | C16 | H20 | 179.8° | 179.8° |
| C15 | C19 | C18 | H22 | 179.4° | 180.0° |
| C11 | C10 | C12 | H10 | 119.0° | 120.0° |
| C10 | C11 | H13 | H12 | 120.0° | 120.0° |
| C10 | C11 | H13 | H11 | 120.0° | 120.0° |
| C10 | C11 | H12 | H11 | 120.0° | 120.0° |
| C11 | C10 | C12 | H16 | 57.7° | 60.0° |
| C11 | C10 | C12 | H14 | 62.3° | 180.0° |
| C11 | C10 | C12 | H15 | 177.7° | 60.0° |
| C11 | C10 | C9 | H8 | 49.8° | 55.4° |
| C11 | C10 | C9 | H9 | 67.8° | 175.5° |
| C12 | C10 | C11 | H13 | 59.3° | 55.6° |
| C12 | C10 | C11 | H12 | 179.3° | 64.3° |
| C12 | C10 | C11 | H11 | 60.7° | 175.7° |
| C10 | C12 | H16 | H14 | 120.0° | 119.9° |
| C10 | C12 | H16 | H15 | 120.0° | 120.0° |
| C10 | C12 | H14 | H15 | 120.0° | 120.0° |
| C12 | C10 | C9 | H8 | 170.8° | 64.5° |
| C12 | C10 | C9 | H9 | 53.1° | 55.5° |
| N3 | C14 | H19 | H18 | 118.3° | 120.0° |
| C19 | C18 | C17 | H21 | 180.0° | 179.9° |
| H17 | N3 | C14 | H19 | 156.8° | 119.9° |
| H17 | N3 | C14 | H18 | 38.0° | 120.0° |
| H5 | C6 | C20 | H25 | 69.5° | 174.9° |
| H5 | C6 | C20 | H24 | 50.1° | 54.7° |
| H7 | C8 | C9 | H8 | 170.2° | 63.7° |
| H7 | C8 | C9 | H9 | 72.2° | 176.3° |
| H7 | C8 | N2 | H6 | 131.7° | 149.6° |
| H10 | C10 | C11 | H13 | 59.7° | 175.6° |
| H10 | C10 | C11 | H12 | 60.2° | 55.7° |
| H10 | C10 | C11 | H11 | 179.8° | 64.3° |
| H10 | C10 | C12 | H16 | 61.2° | 180.0° |
| H10 | C10 | C12 | H14 | 178.8° | 60.0° |
| H10 | C10 | C12 | H15 | 58.8° | 59.9° |
| H10 | C10 | C9 | H8 | 70.4° | 175.4° |
| H10 | C10 | C9 | H9 | 171.9° | 64.5° |
| H21 | C17 | C18 | H22 | 0.0° | 0.1° |
| H25 | C20 | C21 | H27 | 57.0° | 61.4° |
| H25 | C20 | C21 | H26 | 62.9° | 178.6° |
| H24 | C20 | C21 | H27 | 176.5° | 58.6° |
| H24 | C20 | C21 | H26 | 56.7° | 61.3° |
| H27 | C21 | C22 | H29 | 175.2° | 61.4° |
| H27 | C21 | C22 | H28 | 55.3° | 58.6° |
| H26 | C21 | C22 | H29 | 55.3° | 178.6° |
| H26 | C21 | C22 | H28 | 64.6° | 61.4° |
| H29 | C22 | C23 | H30 | 55.4° | 174.9° |
| H29 | C22 | C23 | H31 | 175.4° | 54.4° |
| H28 | C22 | C23 | H30 | 64.6° | 54.8° |
| H28 | C22 | C23 | H31 | 55.4° | 65.7° |
| H32 | C24 | C25 | H33 | 3.5° | 0.0° |
| H13 | C11 | H12 | H11 | 120.0° | 120.0° |
| H16 | C12 | H14 | H15 | 120.0° | 120.0° |
| H22 | C18 | C19 | H23 | 0.6° | 0.0° |
| H1 | C2 | C3 | H2 | 1.4° | 0.3° |
