WRX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.35Å | 1.36Å | |
| C1 | C28 | doub | 1.38Å | 1.36Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| O1 | S1 | doub | 1.42Å | 1.43Å | |
| O4 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | C5 | sing | 1.81Å | 1.79Å | |
| S1 | N1 | sing | 1.66Å | 1.60Å | |
| F2 | C13 | sing | 1.35Å | 1.36Å | |
| N1 | C26 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | doub | 1.38Å | 1.36Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.36Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C6 | C23 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N2 | sing | 1.35Å | 1.34Å | |
| C7 | O3 | doub | 1.21Å | 1.23Å | |
| N2 | C8 | sing | 1.47Å | 1.45Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| O2 | C16 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C16 | sing | 1.51Å | 1.53Å | |
| C16 | N3 | sing | 1.35Å | 1.33Å | |
| C19 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| N4 | C20 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | C17 | sing | 1.46Å | 1.45Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.08Å | 1.08Å | |
| C2 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.08Å | 1.08Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å | |
| C14 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | C28 | 118.6° | 120.0° |
| F1 | C1 | C2 | 118.5° | 120.1° |
| C28 | C1 | C2 | 122.8° | 119.9° |
| C1 | C28 | C27 | 118.2° | 120.0° |
| C1 | C28 | H16 | 120.9° | 120.0° |
| C1 | C2 | C3 | 118.2° | 120.0° |
| C1 | C2 | H17 | 120.9° | 120.0° |
| C28 | C27 | C4 | 121.1° | 120.0° |
| C27 | C28 | H16 | 120.9° | 120.0° |
| C28 | C27 | H30 | 119.4° | 120.0° |
| C2 | C3 | C4 | 121.2° | 120.0° |
| C3 | C2 | H17 | 120.9° | 120.0° |
| C2 | C3 | H18 | 119.4° | 120.0° |
| C27 | C4 | C3 | 118.4° | 120.1° |
| C27 | C4 | C5 | 120.7° | 120.0° |
| C4 | C27 | H30 | 119.4° | 120.0° |
| C3 | C4 | C5 | 120.8° | 120.0° |
| C4 | C3 | H18 | 119.4° | 120.0° |
| C4 | C5 | S1 | 112.2° | 109.5° |
| C4 | C5 | H2 | 108.8° | 109.4° |
| C4 | C5 | H3 | 108.8° | 109.4° |
| O1 | S1 | O4 | 120.0° | 121.0° |
| O1 | S1 | C5 | 106.8° | 110.5° |
| O1 | S1 | N1 | 108.2° | 104.3° |
| O4 | S1 | C5 | 106.2° | 110.6° |
| O4 | S1 | N1 | 108.9° | 104.3° |
| C5 | S1 | N1 | 106.0° | 104.4° |
| S1 | C5 | H2 | 108.8° | 109.5° |
| S1 | C5 | H3 | 108.8° | 109.5° |
| S1 | N1 | C26 | 122.4° | 120.6° |
| S1 | N1 | C6 | 121.3° | 120.7° |
| F2 | C13 | C12 | 118.6° | 120.0° |
| F2 | C13 | C14 | 118.5° | 120.0° |
| C26 | N1 | C6 | 116.2° | 118.7° |
| N1 | C26 | C25 | 109.9° | 108.8° |
| N1 | C26 | H14 | 109.4° | 109.6° |
| N1 | C26 | H15 | 109.4° | 109.5° |
| N1 | C6 | C23 | 108.9° | 108.8° |
| N1 | C6 | C7 | 118.2° | 109.6° |
| N1 | C6 | H4 | 106.4° | 109.6° |
| C12 | C13 | C14 | 122.9° | 120.0° |
| C13 | C12 | C11 | 118.2° | 120.0° |
| C13 | C12 | H23 | 120.9° | 120.0° |
| C13 | C14 | C15 | 118.2° | 120.0° |
| C13 | C14 | H24 | 120.9° | 120.0° |
| C26 | C25 | C24 | 110.9° | 109.3° |
| C25 | C26 | H14 | 109.4° | 109.6° |
| C25 | C26 | H15 | 109.3° | 109.6° |
| C26 | C25 | H28 | 109.1° | 109.5° |
| C26 | C25 | H29 | 109.1° | 109.5° |
| C12 | C11 | C10 | 121.3° | 120.0° |
| C12 | C11 | H22 | 119.3° | 120.0° |
| C11 | C12 | H23 | 120.9° | 120.0° |
| C14 | C15 | C10 | 121.4° | 120.0° |
| C14 | C15 | H6 | 119.3° | 120.0° |
| C15 | C14 | H24 | 120.9° | 120.0° |
| C25 | C24 | C23 | 110.6° | 109.5° |
| C25 | C24 | H12 | 109.2° | 109.5° |
| C25 | C24 | H13 | 109.2° | 109.4° |
| C24 | C25 | H28 | 109.1° | 109.5° |
| C24 | C25 | H29 | 109.1° | 109.5° |
| C23 | C6 | C7 | 110.9° | 109.6° |
| C6 | C23 | C24 | 110.5° | 109.3° |
| C23 | C6 | H4 | 105.9° | 109.6° |
| C6 | C23 | H26 | 109.2° | 109.5° |
| C6 | C23 | H27 | 109.2° | 109.5° |
| C6 | C7 | N2 | 118.1° | 120.0° |
| C6 | C7 | O3 | 120.5° | 120.0° |
| C7 | C6 | H4 | 105.7° | 109.7° |
| C23 | C24 | H12 | 109.2° | 109.5° |
| C23 | C24 | H13 | 109.2° | 109.4° |
| C24 | C23 | H26 | 109.2° | 109.5° |
| C24 | C23 | H27 | 109.2° | 109.5° |
| C11 | C10 | C15 | 117.9° | 120.0° |
| C11 | C10 | C9 | 121.1° | 120.0° |
| C10 | C11 | H22 | 119.3° | 120.0° |
| C15 | C10 | C9 | 121.0° | 120.0° |
| C10 | C15 | H6 | 119.3° | 120.0° |
| N2 | C7 | O3 | 121.4° | 120.0° |
| C7 | N2 | C8 | 121.9° | 120.0° |
| C7 | N2 | H19 | 119.0° | 120.0° |
| N2 | C8 | C9 | 112.3° | 109.5° |
| N2 | C8 | C16 | 111.7° | 109.5° |
| N2 | C8 | H5 | 107.9° | 109.4° |
| C8 | N2 | H19 | 119.0° | 119.9° |
| C10 | C9 | C8 | 115.4° | 109.5° |
| C10 | C9 | H20 | 108.0° | 109.5° |
| C10 | C9 | H21 | 108.0° | 109.4° |
| O2 | C16 | C8 | 120.4° | 120.0° |
| O2 | C16 | N3 | 122.6° | 120.0° |
| C9 | C8 | C16 | 110.7° | 109.5° |
| C9 | C8 | H5 | 106.9° | 109.5° |
| C8 | C9 | H20 | 108.0° | 109.5° |
| C8 | C9 | H21 | 108.0° | 109.5° |
| C8 | C16 | N3 | 117.0° | 120.0° |
| C16 | C8 | H5 | 107.1° | 109.4° |
| C16 | N3 | C17 | 122.2° | 120.0° |
| C16 | N3 | H1 | 118.9° | 120.0° |
| N4 | C19 | C18 | 124.2° | 120.8° |
| C19 | N4 | C20 | 117.2° | 121.7° |
| N4 | C19 | H25 | 117.9° | 119.6° |
| C19 | C18 | C17 | 120.9° | 120.4° |
| C19 | C18 | C22 | 117.0° | 119.1° |
| C18 | C19 | H25 | 117.9° | 119.6° |
| N4 | C20 | C21 | 123.0° | 120.8° |
| N4 | C20 | H9 | 118.5° | 119.6° |
| N3 | C17 | C18 | 113.9° | 109.5° |
| C17 | N3 | H1 | 118.9° | 120.0° |
| N3 | C17 | H7 | 108.4° | 109.5° |
| N3 | C17 | H8 | 108.4° | 109.5° |
| C17 | C18 | C22 | 122.1° | 120.4° |
| C18 | C17 | H7 | 108.3° | 109.5° |
| C18 | C17 | H8 | 108.4° | 109.4° |
| C18 | C22 | C21 | 119.9° | 118.4° |
| C18 | C22 | H11 | 120.1° | 120.8° |
| C20 | C21 | C22 | 118.7° | 119.2° |
| C21 | C20 | H9 | 118.5° | 119.7° |
| C20 | C21 | H10 | 120.6° | 120.4° |
| C22 | C21 | H10 | 120.7° | 120.5° |
| C21 | C22 | H11 | 120.0° | 120.8° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.7° |
| H20 | C9 | H21 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | C28 | C2 | 179.7° | 179.8° |
| F1 | C1 | C28 | C27 | 180.0° | 180.0° |
| F1 | C1 | C2 | C3 | 179.8° | 180.0° |
| F1 | C1 | C28 | H16 | 0.0° | 0.0° |
| F1 | C1 | C2 | H17 | 0.2° | 0.1° |
| C1 | C28 | C27 | H16 | 180.0° | 179.9° |
| C28 | C1 | C2 | C3 | 0.4° | 0.2° |
| C1 | C28 | C27 | C4 | 0.0° | 0.0° |
| C28 | C1 | C2 | H17 | 179.5° | 179.7° |
| C1 | C28 | C27 | H30 | 180.0° | 180.0° |
| C2 | C1 | C28 | C27 | 0.3° | 0.2° |
| C1 | C2 | C3 | H17 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C2 | C1 | C28 | H16 | 179.7° | 179.8° |
| C1 | C2 | C3 | H18 | 179.6° | 180.0° |
| C28 | C27 | C4 | H30 | 180.0° | 180.0° |
| C28 | C27 | C4 | C3 | 0.0° | 0.3° |
| C28 | C27 | C4 | C5 | 179.6° | 180.0° |
| C2 | C3 | C4 | C27 | 0.2° | 0.3° |
| C2 | C3 | C4 | H18 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 179.4° | 180.0° |
| C27 | C4 | C3 | C5 | 179.6° | 179.7° |
| C27 | C4 | C5 | S1 | 91.5° | 85.5° |
| C27 | C4 | C5 | H2 | 28.9° | 34.5° |
| C27 | C4 | C5 | H3 | 148.0° | 154.5° |
| C4 | C27 | C28 | H16 | 180.0° | 179.9° |
| C27 | C4 | C3 | H18 | 179.8° | 179.8° |
| C3 | C4 | C5 | S1 | 88.9° | 94.8° |
| C3 | C4 | C5 | H2 | 150.7° | 145.2° |
| C3 | C4 | C5 | H3 | 31.5° | 25.2° |
| C4 | C3 | C2 | H17 | 179.6° | 180.0° |
| C3 | C4 | C27 | H30 | 179.9° | 179.7° |
| C4 | C5 | S1 | O1 | 55.4° | 74.2° |
| C4 | C5 | S1 | O4 | 73.7° | 62.5° |
| C4 | C5 | S1 | H2 | 120.4° | 120.0° |
| C4 | C5 | S1 | H3 | 120.4° | 120.0° |
| C4 | C5 | S1 | N1 | 170.6° | 174.2° |
| C4 | C5 | H2 | H3 | 118.7° | 119.9° |
| C5 | C4 | C3 | H18 | 0.6° | 0.0° |
| C5 | C4 | C27 | H30 | 0.4° | 0.0° |
| O1 | S1 | O4 | C5 | 121.0° | 131.5° |
| O1 | S1 | O4 | N1 | 125.3° | 116.8° |
| O1 | S1 | C5 | N1 | 115.2° | 111.6° |
| O1 | S1 | N1 | C26 | 32.2° | 136.9° |
| O1 | S1 | N1 | C6 | 144.6° | 43.4° |
| O1 | S1 | C5 | H2 | 65.0° | 45.7° |
| O1 | S1 | C5 | H3 | 175.8° | 165.8° |
| O4 | S1 | C5 | N1 | 115.7° | 111.6° |
| O4 | S1 | N1 | C26 | 164.1° | 9.0° |
| O4 | S1 | N1 | C6 | 12.6° | 171.3° |
| O4 | S1 | C5 | H2 | 165.9° | 177.5° |
| O4 | S1 | C5 | H3 | 46.7° | 57.4° |
| C5 | S1 | N1 | C26 | 82.0° | 107.1° |
| C5 | S1 | N1 | C6 | 101.2° | 72.6° |
| S1 | C5 | H2 | H3 | 118.8° | 120.1° |
| S1 | N1 | C26 | C6 | 176.9° | 179.7° |
| S1 | N1 | C26 | C25 | 121.7° | 126.7° |
| S1 | N1 | C6 | C23 | 120.8° | 126.7° |
| S1 | N1 | C6 | C7 | 111.6° | 6.9° |
| N1 | S1 | C5 | H2 | 50.2° | 65.9° |
| N1 | S1 | C5 | H3 | 69.0° | 54.2° |
| S1 | N1 | C6 | H4 | 7.0° | 113.5° |
| S1 | N1 | C26 | H14 | 1.6° | 113.6° |
| S1 | N1 | C26 | H15 | 118.3° | 6.9° |
| F2 | C13 | C12 | C14 | 179.9° | 179.7° |
| F2 | C13 | C12 | C11 | 180.0° | 180.0° |
| F2 | C13 | C14 | C15 | 179.9° | 180.0° |
| F2 | C13 | C12 | H23 | 0.0° | 0.3° |
| F2 | C13 | C14 | H24 | 0.1° | 0.3° |
| N1 | C26 | C25 | H14 | 120.1° | 119.8° |
| N1 | C26 | C25 | H15 | 120.1° | 119.7° |
| N1 | C26 | C25 | C24 | 53.3° | 54.6° |
| C26 | N1 | C6 | C23 | 56.2° | 53.6° |
| C26 | N1 | C6 | C7 | 71.5° | 173.4° |
| C26 | N1 | C6 | H4 | 169.9° | 66.2° |
| N1 | C26 | H14 | H15 | 119.8° | 120.3° |
| N1 | C26 | C25 | H28 | 66.9° | 65.4° |
| N1 | C26 | C25 | H29 | 173.5° | 174.6° |
| C6 | N1 | C26 | C25 | 55.2° | 53.6° |
| N1 | C6 | C23 | C7 | 131.7° | 119.8° |
| N1 | C6 | C23 | H4 | 114.1° | 119.8° |
| N1 | C6 | C7 | H4 | 119.0° | 120.4° |
| N1 | C6 | C23 | C24 | 55.3° | 54.6° |
| N1 | C6 | C7 | N2 | 6.0° | 78.5° |
| N1 | C6 | C7 | O3 | 174.3° | 101.4° |
| C6 | N1 | C26 | H14 | 175.3° | 66.2° |
| C6 | N1 | C26 | H15 | 64.8° | 173.4° |
| N1 | C6 | C23 | H26 | 175.5° | 65.3° |
| N1 | C6 | C23 | H27 | 64.8° | 174.6° |
| C13 | C12 | C11 | H23 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.0° | 0.3° |
| C13 | C12 | C11 | C10 | 0.4° | 0.1° |
| C13 | C12 | C11 | H22 | 179.5° | 179.9° |
| C12 | C13 | C14 | H24 | 179.9° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.2° |
| C13 | C14 | C15 | H24 | 180.0° | 179.7° |
| C13 | C14 | C15 | C10 | 0.3° | 0.0° |
| C13 | C14 | C15 | H6 | 179.7° | 179.9° |
| C14 | C13 | C12 | H23 | 179.9° | 180.0° |
| C26 | C25 | C24 | H28 | 120.2° | 120.0° |
| C26 | C25 | C24 | H29 | 120.2° | 120.0° |
| C26 | C25 | C24 | C23 | 56.1° | 61.3° |
| C26 | C25 | C24 | H12 | 176.3° | 178.6° |
| C26 | C25 | C24 | H13 | 64.1° | 58.7° |
| C25 | C26 | H14 | H15 | 119.8° | 120.4° |
| C26 | C25 | H28 | H29 | 119.3° | 120.0° |
| C12 | C11 | C10 | H22 | 180.0° | 179.9° |
| C12 | C11 | C10 | C15 | 0.7° | 0.3° |
| C12 | C11 | C10 | C9 | 179.7° | 180.0° |
| C14 | C15 | C10 | C11 | 0.6° | 0.3° |
| C14 | C15 | C10 | H6 | 180.0° | 179.9° |
| C14 | C15 | C10 | C9 | 179.7° | 179.9° |
| C25 | C24 | C23 | C6 | 57.4° | 61.3° |
| C25 | C24 | C23 | H12 | 120.2° | 120.1° |
| C25 | C24 | C23 | H13 | 120.2° | 120.0° |
| C25 | C24 | H12 | H13 | 119.5° | 120.0° |
| C24 | C25 | C26 | H14 | 173.4° | 65.1° |
| C24 | C25 | C26 | H15 | 66.8° | 174.4° |
| C25 | C24 | C23 | H26 | 177.5° | 58.6° |
| C25 | C24 | C23 | H27 | 62.8° | 178.7° |
| C24 | C25 | H28 | H29 | 119.4° | 120.1° |
| C23 | C6 | C7 | H4 | 114.3° | 120.3° |
| C6 | C23 | C24 | H26 | 120.2° | 119.9° |
| C6 | C23 | C24 | H27 | 120.2° | 120.0° |
| C23 | C6 | C7 | N2 | 132.7° | 40.8° |
| C23 | C6 | C7 | O3 | 47.6° | 139.3° |
| C6 | C23 | C24 | H12 | 177.5° | 178.6° |
| C6 | C23 | C24 | H13 | 62.8° | 58.7° |
| C6 | C23 | H26 | H27 | 119.5° | 120.1° |
| C7 | C6 | C23 | C24 | 76.3° | 174.4° |
| C6 | C7 | N2 | O3 | 179.7° | 179.9° |
| C6 | C7 | N2 | C8 | 166.8° | 175.7° |
| C6 | C7 | N2 | H19 | 13.2° | 4.2° |
| C7 | C6 | C23 | H26 | 43.8° | 54.5° |
| C7 | C6 | C23 | H27 | 163.5° | 65.6° |
| C24 | C23 | C6 | H4 | 169.5° | 65.2° |
| C23 | C24 | H12 | H13 | 119.5° | 120.0° |
| C24 | C23 | H26 | H27 | 119.5° | 120.1° |
| C23 | C24 | C25 | H28 | 64.1° | 58.6° |
| C23 | C24 | C25 | H29 | 176.3° | 178.7° |
| C11 | C10 | C15 | C9 | 179.0° | 179.6° |
| C11 | C10 | C9 | C8 | 104.9° | 84.3° |
| C11 | C10 | C15 | H6 | 179.4° | 179.6° |
| C11 | C10 | C9 | H20 | 16.0° | 155.7° |
| C11 | C10 | C9 | H21 | 134.2° | 35.7° |
| C10 | C11 | C12 | H23 | 179.5° | 179.6° |
| C15 | C10 | C9 | C8 | 76.1° | 95.4° |
| C15 | C10 | C9 | H20 | 163.1° | 24.7° |
| C15 | C10 | C9 | H21 | 44.8° | 144.6° |
| C15 | C10 | C11 | H22 | 179.3° | 179.8° |
| C10 | C15 | C14 | H24 | 179.7° | 179.7° |
| C7 | N2 | C8 | H19 | 180.0° | 179.9° |
| C7 | N2 | C8 | C9 | 159.0° | 93.5° |
| C7 | N2 | C8 | C16 | 76.0° | 146.4° |
| N2 | C7 | C6 | H4 | 113.0° | 161.1° |
| C7 | N2 | C8 | H5 | 41.4° | 26.5° |
| O3 | C7 | N2 | C8 | 13.5° | 4.4° |
| O3 | C7 | C6 | H4 | 66.7° | 19.0° |
| O3 | C7 | N2 | H19 | 166.5° | 175.7° |
| N2 | C8 | C9 | C10 | 33.0° | 65.8° |
| N2 | C8 | C16 | O2 | 35.8° | 0.1° |
| N2 | C8 | C9 | C16 | 125.6° | 120.0° |
| N2 | C8 | C9 | H5 | 118.1° | 120.0° |
| N2 | C8 | C16 | H5 | 117.9° | 119.9° |
| N2 | C8 | C16 | N3 | 143.4° | 180.0° |
| N2 | C8 | C9 | H20 | 87.9° | 54.2° |
| N2 | C8 | C9 | H21 | 153.9° | 174.2° |
| C10 | C9 | C8 | H20 | 120.9° | 120.0° |
| C10 | C9 | C8 | H21 | 120.9° | 120.0° |
| C10 | C9 | C8 | C16 | 92.6° | 174.1° |
| C10 | C9 | C8 | H5 | 151.1° | 54.1° |
| C9 | C10 | C15 | H6 | 0.3° | 0.0° |
| C10 | C9 | H20 | H21 | 117.3° | 120.0° |
| C9 | C10 | C11 | H22 | 0.2° | 0.1° |
| O2 | C16 | C8 | C9 | 90.1° | 120.0° |
| O2 | C16 | C8 | N3 | 179.2° | 179.9° |
| O2 | C16 | N3 | C17 | 9.1° | 0.0° |
| O2 | C16 | N3 | H1 | 170.9° | 179.9° |
| O2 | C16 | C8 | H5 | 153.7° | 120.0° |
| C9 | C8 | C16 | H5 | 116.2° | 120.0° |
| C9 | C8 | C16 | N3 | 90.7° | 60.0° |
| C9 | C8 | N2 | H19 | 21.0° | 86.4° |
| C8 | C9 | H20 | H21 | 117.3° | 120.0° |
| C8 | C16 | N3 | C17 | 171.7° | 179.9° |
| C8 | C16 | N3 | H1 | 8.3° | 0.1° |
| C16 | C8 | N2 | H19 | 104.0° | 33.7° |
| C16 | C8 | C9 | H20 | 146.5° | 65.9° |
| C16 | C8 | C9 | H21 | 28.3° | 54.2° |
| C16 | N3 | C17 | H1 | 180.0° | 179.9° |
| C16 | N3 | C17 | C18 | 100.7° | 180.0° |
| N3 | C16 | C8 | H5 | 25.5° | 60.0° |
| C16 | N3 | C17 | H7 | 138.7° | 60.0° |
| C16 | N3 | C17 | H8 | 20.0° | 60.1° |
| N4 | C19 | C18 | H25 | 180.0° | 179.4° |
| N4 | C19 | C18 | C17 | 179.8° | 179.7° |
| N4 | C19 | C18 | C22 | 0.1° | 0.4° |
| C19 | N4 | C20 | C21 | 0.0° | 0.5° |
| C19 | N4 | C20 | H9 | 180.0° | 179.6° |
| C18 | C19 | N4 | C20 | 0.2° | 0.6° |
| C19 | C18 | C17 | N3 | 94.7° | 90.0° |
| C19 | C18 | C17 | C22 | 179.7° | 179.9° |
| C19 | C18 | C22 | C21 | 0.3° | 0.1° |
| C19 | C18 | C17 | H7 | 144.7° | 149.9° |
| C19 | C18 | C17 | H8 | 26.0° | 29.9° |
| C19 | C18 | C22 | H11 | 179.8° | 180.0° |
| N4 | C20 | C21 | H9 | 180.0° | 179.8° |
| N4 | C20 | C21 | C22 | 0.3° | 0.2° |
| N4 | C20 | C21 | H10 | 179.7° | 179.8° |
| C20 | N4 | C19 | H25 | 179.8° | 180.0° |
| N3 | C17 | C18 | H7 | 120.6° | 120.1° |
| N3 | C17 | C18 | H8 | 120.7° | 120.0° |
| N3 | C17 | C18 | C22 | 85.6° | 90.1° |
| N3 | C17 | H7 | H8 | 118.0° | 120.0° |
| C17 | C18 | C22 | C21 | 179.4° | 180.0° |
| C18 | C17 | N3 | H1 | 79.3° | 0.1° |
| C18 | C17 | H7 | H8 | 118.0° | 120.0° |
| C17 | C18 | C22 | H11 | 0.5° | 0.1° |
| C17 | C18 | C19 | H25 | 0.2° | 0.3° |
| C18 | C22 | C21 | C20 | 0.5° | 0.0° |
| C18 | C22 | C21 | H11 | 180.0° | 179.9° |
| C22 | C18 | C17 | H7 | 35.0° | 30.0° |
| C22 | C18 | C17 | H8 | 153.7° | 150.0° |
| C18 | C22 | C21 | H10 | 179.6° | 180.0° |
| C22 | C18 | C19 | H25 | 179.9° | 179.8° |
| C20 | C21 | C22 | H10 | 180.0° | 180.0° |
| C20 | C21 | C22 | H11 | 179.6° | 179.9° |
| C22 | C21 | C20 | H9 | 179.6° | 179.9° |
| H1 | N3 | C17 | H7 | 41.3° | 119.9° |
| H1 | N3 | C17 | H8 | 160.0° | 120.1° |
| H4 | C6 | C23 | H26 | 70.4° | 174.8° |
| H4 | C6 | C23 | H27 | 49.3° | 54.8° |
| H5 | C8 | N2 | H19 | 138.6° | 153.6° |
| H5 | C8 | C9 | H20 | 30.3° | 174.2° |
| H5 | C8 | C9 | H21 | 88.0° | 65.8° |
| H6 | C15 | C14 | H24 | 0.3° | 0.3° |
| H9 | C20 | C21 | H10 | 0.3° | 0.1° |
| H10 | C21 | C22 | H11 | 0.4° | 0.1° |
| H12 | C24 | C23 | H26 | 62.3° | 61.4° |
| H12 | C24 | C23 | H27 | 57.4° | 58.6° |
| H12 | C24 | C25 | H28 | 56.0° | 61.4° |
| H12 | C24 | C25 | H29 | 63.5° | 58.7° |
| H13 | C24 | C23 | H26 | 57.3° | 178.6° |
| H13 | C24 | C23 | H27 | 177.0° | 61.3° |
| H13 | C24 | C25 | H28 | 175.7° | 178.6° |
| H13 | C24 | C25 | H29 | 56.1° | 61.3° |
| H14 | C26 | C25 | H28 | 53.1° | 174.9° |
| H14 | C26 | C25 | H29 | 66.4° | 54.9° |
| H15 | C26 | C25 | H28 | 173.0° | 54.4° |
| H15 | C26 | C25 | H29 | 53.5° | 65.6° |
| H16 | C28 | C27 | H30 | 0.0° | 0.1° |
| H17 | C2 | C3 | H18 | 0.4° | 0.1° |
| H22 | C11 | C12 | H23 | 0.5° | 0.2° |
