1XQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C26 | sing | 1.38Å | 1.43Å | Aromatic |
| C25 | C24 | doub | 1.33Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | C5 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C23 | N3 | sing | 1.47Å | 1.48Å | |
| C26 | C27 | doub | 1.33Å | 1.37Å | Aromatic |
| C24 | S1 | sing | 1.76Å | 1.76Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C10 | N4 | sing | 1.47Å | 1.49Å | |
| N1 | C5 | sing | 1.34Å | 1.39Å | |
| N1 | C6 | doub | 1.31Å | 1.28Å | |
| C11 | N4 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | doub | 1.36Å | 1.36Å | |
| O1 | C3 | sing | 1.43Å | 1.43Å | |
| N3 | C9 | sing | 1.35Å | 1.35Å | |
| N3 | C8 | sing | 1.46Å | 1.46Å | |
| C27 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| N4 | C15 | sing | 1.47Å | 1.47Å | |
| C6 | C8 | sing | 1.51Å | 1.50Å | |
| C6 | N2 | sing | 1.35Å | 1.39Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.50Å | 1.52Å | |
| C4 | C7 | sing | 1.41Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C16 | sing | 1.51Å | 1.54Å | |
| N2 | C7 | sing | 1.35Å | 1.35Å | |
| C7 | O2 | doub | 1.22Å | 1.23Å | |
| C16 | O4 | doub | 1.21Å | 1.24Å | |
| C16 | C17 | sing | 1.47Å | 1.49Å | |
| C22 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | F1 | sing | 1.35Å | 1.35Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 112.9° | 114.9° |
| C25 | C26 | C27 | 112.9° | 114.9° |
| C26 | C25 | H28 | 123.6° | 122.5° |
| C25 | C26 | H29 | 123.6° | 122.5° |
| C25 | C24 | C23 | 128.4° | 125.2° |
| C25 | C24 | S1 | 111.3° | 109.6° |
| C24 | C25 | H28 | 123.5° | 122.6° |
| C1 | C2 | C5 | 111.6° | 109.8° |
| C2 | C1 | O1 | 110.0° | 108.5° |
| C2 | C1 | H1 | 109.3° | 109.7° |
| C2 | C1 | H2 | 109.3° | 109.8° |
| C1 | C2 | H3 | 108.9° | 109.4° |
| C1 | C2 | H4 | 108.9° | 109.5° |
| C2 | C5 | N1 | 116.4° | 118.9° |
| C2 | C5 | C4 | 122.3° | 121.4° |
| C5 | C2 | H3 | 108.9° | 109.4° |
| C5 | C2 | H4 | 108.9° | 109.4° |
| C1 | O1 | C3 | 114.2° | 113.0° |
| O1 | C1 | H1 | 109.3° | 109.6° |
| O1 | C1 | H2 | 109.3° | 109.6° |
| C24 | C23 | N3 | 115.9° | 109.5° |
| C23 | C24 | S1 | 120.3° | 125.2° |
| C24 | C23 | H26 | 107.9° | 109.5° |
| C24 | C23 | H27 | 107.9° | 109.4° |
| C23 | N3 | C9 | 129.6° | 120.0° |
| C23 | N3 | C8 | 112.1° | 120.0° |
| N3 | C23 | H26 | 107.8° | 109.5° |
| N3 | C23 | H27 | 107.8° | 109.5° |
| C26 | C27 | S1 | 111.8° | 109.6° |
| C27 | C26 | H29 | 123.5° | 122.6° |
| C26 | C27 | H30 | 124.1° | 125.2° |
| C24 | S1 | C27 | 91.1° | 90.9° |
| C9 | C10 | N4 | 106.0° | 109.5° |
| C10 | C9 | N3 | 123.0° | 120.0° |
| C10 | C9 | O3 | 116.8° | 120.0° |
| C9 | C10 | H10 | 110.3° | 109.5° |
| C9 | C10 | H11 | 110.3° | 109.4° |
| C10 | N4 | C11 | 113.8° | 111.1° |
| C10 | N4 | C15 | 112.7° | 111.0° |
| N4 | C10 | H10 | 110.3° | 109.5° |
| N4 | C10 | H11 | 110.3° | 109.4° |
| C5 | N1 | C6 | 118.4° | 121.8° |
| N1 | C5 | C4 | 121.3° | 119.6° |
| N1 | C6 | C8 | 122.7° | 119.3° |
| N1 | C6 | N2 | 124.0° | 121.4° |
| N4 | C11 | C12 | 107.8° | 109.6° |
| C11 | N4 | C15 | 110.2° | 111.1° |
| N4 | C11 | H13 | 109.9° | 109.4° |
| N4 | C11 | H14 | 109.9° | 109.4° |
| C11 | C12 | C13 | 111.8° | 109.2° |
| C12 | C11 | H13 | 109.9° | 109.5° |
| C12 | C11 | H14 | 109.9° | 109.4° |
| C11 | C12 | H15 | 108.9° | 109.6° |
| C11 | C12 | H16 | 108.9° | 109.5° |
| C5 | C4 | C3 | 120.2° | 122.1° |
| C5 | C4 | C7 | 119.8° | 118.7° |
| O1 | C3 | C4 | 112.0° | 110.3° |
| O1 | C3 | H5 | 108.8° | 109.3° |
| O1 | C3 | H6 | 108.8° | 109.3° |
| C9 | N3 | C8 | 118.2° | 120.0° |
| N3 | C9 | O3 | 120.3° | 119.9° |
| N3 | C8 | C6 | 117.1° | 109.5° |
| N3 | C8 | H8 | 107.5° | 109.5° |
| N3 | C8 | H9 | 107.6° | 109.5° |
| S1 | C27 | H30 | 124.1° | 125.2° |
| N4 | C15 | C14 | 109.2° | 109.5° |
| N4 | C15 | H20 | 109.6° | 109.4° |
| N4 | C15 | H21 | 109.5° | 109.5° |
| C8 | C6 | N2 | 113.3° | 119.3° |
| C6 | C8 | H8 | 107.5° | 109.4° |
| C6 | C8 | H9 | 107.5° | 109.4° |
| C6 | N2 | C7 | 121.8° | 119.8° |
| C6 | N2 | H7 | 119.1° | 120.2° |
| C12 | C13 | C14 | 110.7° | 109.2° |
| C12 | C13 | C16 | 112.6° | 109.5° |
| C13 | C12 | H15 | 108.9° | 109.5° |
| C13 | C12 | H16 | 108.9° | 109.5° |
| C12 | C13 | H17 | 107.6° | 109.5° |
| C3 | C4 | C7 | 120.0° | 119.2° |
| C4 | C3 | H5 | 108.9° | 109.4° |
| C4 | C3 | H6 | 108.9° | 109.2° |
| C4 | C7 | N2 | 114.8° | 118.7° |
| C4 | C7 | O2 | 125.6° | 120.7° |
| C15 | C14 | C13 | 112.7° | 109.3° |
| C15 | C14 | H18 | 108.6° | 109.5° |
| C15 | C14 | H19 | 108.7° | 109.6° |
| C14 | C15 | H20 | 109.5° | 109.5° |
| C14 | C15 | H21 | 109.5° | 109.5° |
| C14 | C13 | C16 | 110.5° | 109.5° |
| C14 | C13 | H17 | 107.7° | 109.6° |
| C13 | C14 | H18 | 108.6° | 109.5° |
| C13 | C14 | H19 | 108.6° | 109.5° |
| C13 | C16 | O4 | 120.2° | 120.0° |
| C13 | C16 | C17 | 117.6° | 120.0° |
| C16 | C13 | H17 | 107.6° | 109.5° |
| N2 | C7 | O2 | 119.6° | 120.6° |
| C7 | N2 | H7 | 119.1° | 120.1° |
| O4 | C16 | C17 | 122.2° | 120.0° |
| C16 | C17 | C22 | 122.3° | 120.1° |
| C16 | C17 | C18 | 118.4° | 120.1° |
| C17 | C22 | C20 | 120.2° | 119.8° |
| C22 | C17 | C18 | 119.2° | 119.7° |
| C17 | C22 | H25 | 119.9° | 120.1° |
| C22 | C20 | C19 | 119.9° | 120.2° |
| C22 | C20 | H23 | 120.1° | 119.9° |
| C20 | C22 | H25 | 119.9° | 120.1° |
| C17 | C18 | C21 | 120.6° | 119.8° |
| C17 | C18 | H22 | 119.7° | 120.1° |
| C20 | C19 | C21 | 120.3° | 120.3° |
| C20 | C19 | F1 | 119.8° | 119.9° |
| C19 | C20 | H23 | 120.0° | 119.9° |
| C18 | C21 | C19 | 119.7° | 120.2° |
| C21 | C18 | H22 | 119.7° | 120.1° |
| C18 | C21 | H24 | 120.1° | 119.9° |
| C21 | C19 | F1 | 119.9° | 119.9° |
| C19 | C21 | H24 | 120.2° | 119.9° |
| H1 | C1 | H2 | 109.5° | 109.7° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.4° | 109.4° |
| H8 | C8 | H9 | 109.4° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.4° | 109.6° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H28 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 179.6° | 180.0° |
| C25 | C26 | C27 | H29 | 180.0° | 179.9° |
| C26 | C25 | C24 | S1 | 0.3° | 0.2° |
| C25 | C26 | C27 | S1 | 0.0° | 0.3° |
| C25 | C26 | C27 | H30 | 180.0° | 179.9° |
| C25 | C24 | C23 | S1 | 179.3° | 179.7° |
| C25 | C24 | C23 | N3 | 120.1° | 90.3° |
| C24 | C25 | C26 | C27 | 0.2° | 0.1° |
| C25 | C24 | S1 | C27 | 0.2° | 0.3° |
| C25 | C24 | C23 | H26 | 0.8° | 29.8° |
| C25 | C24 | C23 | H27 | 119.0° | 149.8° |
| C24 | C25 | C26 | H29 | 179.8° | 180.0° |
| C1 | C2 | C5 | H3 | 120.3° | 120.1° |
| C1 | C2 | C5 | H4 | 120.3° | 120.1° |
| C2 | C1 | O1 | H1 | 120.1° | 119.7° |
| C2 | C1 | O1 | H2 | 120.1° | 119.9° |
| C1 | C2 | C5 | N1 | 167.4° | 162.9° |
| C1 | C2 | C5 | C4 | 13.0° | 17.1° |
| C2 | C1 | O1 | C3 | 64.6° | 69.9° |
| C2 | C1 | H1 | H2 | 119.7° | 120.6° |
| C1 | C2 | H3 | H4 | 119.0° | 119.9° |
| C5 | C2 | C1 | O1 | 42.9° | 49.1° |
| C2 | C5 | N1 | C4 | 179.6° | 180.0° |
| C2 | C5 | N1 | C6 | 179.3° | 179.6° |
| C2 | C5 | C4 | C3 | 0.5° | 0.5° |
| C2 | C5 | C4 | C7 | 179.6° | 179.5° |
| C5 | C2 | C1 | H1 | 163.0° | 70.6° |
| C5 | C2 | C1 | H2 | 77.2° | 168.8° |
| C5 | C2 | H3 | H4 | 119.0° | 119.8° |
| C1 | O1 | C3 | C4 | 50.9° | 51.0° |
| O1 | C1 | H1 | H2 | 119.8° | 120.4° |
| O1 | C1 | C2 | H3 | 163.2° | 169.1° |
| O1 | C1 | C2 | H4 | 77.4° | 71.0° |
| C1 | O1 | C3 | H5 | 171.3° | 171.3° |
| C1 | O1 | C3 | H6 | 69.5° | 69.0° |
| C24 | C23 | N3 | H26 | 120.9° | 120.0° |
| C24 | C23 | N3 | H27 | 121.0° | 120.0° |
| C24 | C23 | N3 | C9 | 86.3° | 90.0° |
| C24 | C23 | N3 | C8 | 89.4° | 90.0° |
| C23 | C24 | S1 | C27 | 179.6° | 179.9° |
| C24 | C23 | H26 | H27 | 117.1° | 120.0° |
| C23 | C24 | C25 | H28 | 0.4° | 0.0° |
| N3 | C23 | C24 | S1 | 60.7° | 90.0° |
| C23 | N3 | C9 | C10 | 1.7° | 0.0° |
| C23 | N3 | C9 | C8 | 175.6° | 180.0° |
| C23 | N3 | C9 | O3 | 178.0° | 179.9° |
| C23 | N3 | C8 | C6 | 110.9° | 90.0° |
| C23 | N3 | C8 | H8 | 10.2° | 150.0° |
| C23 | N3 | C8 | H9 | 128.0° | 30.0° |
| N3 | C23 | H26 | H27 | 117.1° | 120.0° |
| C26 | C27 | S1 | C24 | 0.1° | 0.3° |
| C26 | C27 | S1 | H30 | 180.0° | 179.8° |
| C27 | C26 | C25 | H28 | 179.8° | 180.0° |
| S1 | C24 | C23 | H26 | 178.4° | 150.0° |
| S1 | C24 | C23 | H27 | 60.3° | 30.0° |
| S1 | C24 | C25 | H28 | 179.7° | 179.8° |
| C24 | S1 | C27 | H30 | 179.8° | 179.9° |
| C9 | C10 | N4 | H10 | 119.4° | 120.0° |
| C9 | C10 | N4 | H11 | 119.4° | 119.9° |
| C9 | C10 | N4 | C11 | 172.7° | 65.8° |
| C10 | C9 | N3 | O3 | 179.7° | 180.0° |
| C10 | C9 | N3 | C8 | 177.2° | 180.0° |
| C9 | C10 | N4 | C15 | 46.3° | 170.0° |
| C9 | C10 | H10 | H11 | 121.6° | 120.0° |
| C10 | N4 | C11 | C15 | 127.7° | 124.1° |
| C10 | N4 | C11 | C12 | 164.8° | 174.1° |
| N4 | C10 | C9 | N3 | 125.5° | 180.0° |
| N4 | C10 | C9 | O3 | 54.2° | 0.0° |
| C10 | N4 | C15 | C14 | 166.2° | 174.1° |
| N4 | C10 | H10 | H11 | 121.6° | 120.0° |
| C10 | N4 | C11 | H13 | 75.5° | 65.8° |
| C10 | N4 | C11 | H14 | 45.1° | 54.1° |
| C10 | N4 | C15 | H20 | 46.3° | 54.1° |
| C10 | N4 | C15 | H21 | 73.8° | 65.8° |
| C5 | N1 | C6 | C8 | 178.9° | 179.9° |
| C5 | N1 | C6 | N2 | 0.5° | 0.0° |
| N1 | C5 | C4 | C3 | 179.9° | 179.6° |
| N1 | C5 | C4 | C7 | 0.0° | 0.5° |
| N1 | C5 | C2 | H3 | 47.0° | 42.9° |
| N1 | C5 | C2 | H4 | 72.3° | 77.0° |
| C6 | N1 | C5 | C4 | 0.3° | 0.3° |
| N1 | C6 | C8 | N3 | 43.4° | 0.0° |
| N1 | C6 | C8 | N2 | 178.6° | 179.9° |
| N1 | C6 | N2 | C7 | 0.4° | 0.2° |
| N1 | C6 | N2 | H7 | 179.7° | 179.8° |
| N1 | C6 | C8 | H8 | 77.7° | 120.0° |
| N1 | C6 | C8 | H9 | 164.5° | 120.0° |
| N4 | C11 | C12 | H13 | 119.7° | 120.0° |
| N4 | C11 | C12 | H14 | 119.7° | 120.0° |
| N4 | C11 | C12 | C13 | 58.6° | 59.2° |
| C11 | N4 | C15 | C14 | 65.5° | 61.7° |
| C11 | N4 | C10 | H10 | 53.3° | 174.2° |
| C11 | N4 | C10 | H11 | 67.9° | 54.2° |
| N4 | C11 | H13 | H14 | 120.8° | 119.9° |
| N4 | C11 | C12 | H15 | 179.0° | 179.1° |
| N4 | C11 | C12 | H16 | 61.7° | 60.7° |
| C11 | N4 | C15 | H20 | 174.6° | 178.3° |
| C11 | N4 | C15 | H21 | 54.5° | 58.3° |
| C12 | C11 | N4 | C15 | 67.5° | 61.7° |
| C11 | C12 | C13 | H15 | 120.4° | 120.0° |
| C11 | C12 | C13 | H16 | 120.3° | 119.9° |
| C11 | C12 | C13 | C14 | 48.4° | 57.7° |
| C11 | C12 | C13 | C16 | 172.6° | 177.6° |
| C12 | C11 | H13 | H14 | 120.7° | 120.0° |
| C11 | C12 | H15 | H16 | 118.9° | 120.2° |
| C11 | C12 | C13 | H17 | 69.0° | 62.3° |
| C5 | C4 | C3 | O1 | 17.7° | 15.7° |
| C5 | C4 | C3 | C7 | 179.9° | 180.0° |
| C5 | C4 | C7 | N2 | 0.1° | 0.3° |
| C5 | C4 | C7 | O2 | 179.8° | 179.6° |
| C4 | C5 | C2 | H3 | 133.3° | 137.2° |
| C4 | C5 | C2 | H4 | 107.3° | 103.0° |
| C5 | C4 | C3 | H5 | 138.1° | 136.0° |
| C5 | C4 | C3 | H6 | 102.7° | 104.4° |
| O1 | C3 | C4 | H5 | 120.4° | 120.3° |
| O1 | C3 | C4 | H6 | 120.4° | 120.1° |
| O1 | C3 | C4 | C7 | 162.4° | 164.2° |
| C3 | O1 | C1 | H1 | 175.3° | 49.8° |
| C3 | O1 | C1 | H2 | 55.5° | 170.2° |
| O1 | C3 | H5 | H6 | 118.8° | 119.7° |
| C9 | N3 | C8 | C6 | 72.8° | 90.0° |
| C9 | N3 | C8 | H8 | 166.1° | 30.0° |
| C9 | N3 | C8 | H9 | 48.3° | 150.0° |
| N3 | C9 | C10 | H10 | 6.0° | 60.0° |
| N3 | C9 | C10 | H11 | 115.1° | 60.0° |
| C9 | N3 | C23 | H26 | 34.6° | 150.0° |
| C9 | N3 | C23 | H27 | 152.7° | 29.9° |
| C8 | N3 | C9 | O3 | 2.4° | 0.0° |
| N3 | C8 | C6 | H8 | 121.1° | 120.0° |
| N3 | C8 | C6 | H9 | 121.1° | 120.0° |
| N3 | C8 | C6 | N2 | 138.0° | 180.0° |
| N3 | C8 | H8 | H9 | 116.6° | 120.0° |
| C8 | N3 | C23 | H26 | 149.6° | 30.0° |
| C8 | N3 | C23 | H27 | 31.5° | 150.0° |
| S1 | C27 | C26 | H29 | 180.0° | 179.8° |
| O3 | C9 | C10 | H10 | 173.7° | 120.0° |
| O3 | C9 | C10 | H11 | 65.2° | 119.9° |
| N4 | C15 | C14 | H20 | 120.0° | 120.0° |
| N4 | C15 | C14 | H21 | 120.0° | 120.0° |
| N4 | C15 | C14 | C13 | 54.1° | 59.2° |
| C15 | N4 | C10 | H10 | 73.1° | 50.0° |
| C15 | N4 | C10 | H11 | 165.8° | 70.0° |
| C15 | N4 | C11 | H13 | 52.2° | 58.3° |
| C15 | N4 | C11 | H14 | 172.8° | 178.3° |
| N4 | C15 | C14 | H18 | 66.4° | 179.2° |
| N4 | C15 | C14 | H19 | 174.6° | 60.8° |
| N4 | C15 | H20 | H21 | 120.1° | 119.9° |
| C8 | C6 | N2 | C7 | 178.9° | 179.8° |
| C8 | C6 | N2 | H7 | 1.1° | 0.2° |
| C6 | C8 | H8 | H9 | 116.5° | 119.9° |
| C6 | N2 | C7 | C4 | 0.1° | 0.0° |
| C6 | N2 | C7 | H7 | 180.0° | 180.0° |
| C6 | N2 | C7 | O2 | 179.7° | 180.0° |
| N2 | C6 | C8 | H8 | 100.9° | 60.0° |
| N2 | C6 | C8 | H9 | 16.9° | 59.9° |
| C12 | C13 | C14 | C15 | 46.1° | 57.7° |
| C12 | C13 | C14 | C16 | 125.4° | 119.9° |
| C12 | C13 | C14 | H17 | 117.3° | 119.9° |
| C12 | C13 | C16 | H17 | 118.4° | 120.1° |
| C12 | C13 | C16 | O4 | 41.0° | 30.0° |
| C12 | C13 | C16 | C17 | 139.3° | 150.0° |
| C13 | C12 | C11 | H13 | 61.1° | 60.8° |
| C13 | C12 | C11 | H14 | 178.4° | 179.2° |
| C13 | C12 | H15 | H16 | 118.9° | 120.1° |
| C12 | C13 | C14 | H18 | 74.4° | 177.6° |
| C12 | C13 | C14 | H19 | 166.6° | 62.3° |
| C3 | C4 | C7 | N2 | 180.0° | 179.7° |
| C3 | C4 | C7 | O2 | 0.3° | 0.3° |
| C4 | C3 | H5 | H6 | 118.9° | 119.5° |
| C4 | C7 | N2 | O2 | 179.7° | 179.9° |
| C7 | C4 | C3 | H5 | 42.0° | 44.0° |
| C7 | C4 | C3 | H6 | 77.2° | 75.6° |
| C4 | C7 | N2 | H7 | 180.0° | 180.0° |
| C15 | C14 | C13 | H18 | 120.5° | 119.9° |
| C15 | C14 | C13 | H19 | 120.5° | 120.0° |
| C15 | C14 | C13 | C16 | 171.5° | 177.6° |
| C15 | C14 | C13 | H17 | 71.2° | 62.2° |
| C15 | C14 | H18 | H19 | 118.5° | 120.1° |
| C14 | C15 | H20 | H21 | 120.1° | 120.0° |
| C14 | C13 | C16 | H17 | 117.3° | 120.2° |
| C14 | C13 | C16 | O4 | 83.4° | 89.7° |
| C14 | C13 | C16 | C17 | 96.3° | 90.3° |
| C14 | C13 | C12 | H15 | 168.7° | 177.6° |
| C14 | C13 | C12 | H16 | 72.0° | 62.2° |
| C13 | C14 | H18 | H19 | 118.5° | 120.1° |
| C13 | C14 | C15 | H20 | 174.1° | 179.2° |
| C13 | C14 | C15 | H21 | 65.9° | 60.8° |
| C13 | C16 | O4 | C17 | 179.7° | 180.0° |
| C13 | C16 | C17 | C22 | 3.9° | 0.3° |
| C13 | C16 | C17 | C18 | 175.9° | 180.0° |
| C16 | C13 | C12 | H15 | 67.1° | 62.5° |
| C16 | C13 | C12 | H16 | 52.2° | 57.6° |
| C16 | C13 | C14 | H18 | 51.0° | 62.5° |
| C16 | C13 | C14 | H19 | 68.0° | 57.6° |
| O2 | C7 | N2 | H7 | 0.3° | 0.0° |
| O4 | C16 | C17 | C22 | 176.4° | 179.7° |
| O4 | C16 | C17 | C18 | 3.7° | 0.0° |
| O4 | C16 | C13 | H17 | 159.4° | 150.2° |
| C16 | C17 | C22 | C18 | 179.9° | 179.7° |
| C16 | C17 | C22 | C20 | 180.0° | 180.0° |
| C16 | C17 | C18 | C21 | 180.0° | 180.0° |
| C17 | C16 | C13 | H17 | 21.0° | 29.9° |
| C16 | C17 | C18 | H22 | 0.0° | 0.0° |
| C16 | C17 | C22 | H25 | 0.0° | 0.0° |
| C17 | C22 | C20 | H25 | 180.0° | 180.0° |
| C17 | C22 | C20 | C19 | 0.1° | 0.0° |
| C22 | C17 | C18 | C21 | 0.1° | 0.3° |
| C22 | C17 | C18 | H22 | 179.9° | 179.7° |
| C17 | C22 | C20 | H23 | 179.9° | 179.6° |
| C20 | C22 | C17 | C18 | 0.2° | 0.3° |
| C22 | C20 | C19 | H23 | 180.0° | 179.6° |
| C22 | C20 | C19 | C21 | 0.1° | 0.3° |
| C22 | C20 | C19 | F1 | 179.7° | 180.0° |
| C17 | C18 | C21 | H22 | 180.0° | 180.0° |
| C17 | C18 | C21 | C19 | 0.0° | 0.0° |
| C17 | C18 | C21 | H24 | 179.9° | 180.0° |
| C18 | C17 | C22 | H25 | 179.8° | 179.7° |
| C20 | C19 | C21 | C18 | 0.0° | 0.3° |
| C20 | C19 | C21 | F1 | 179.7° | 179.7° |
| C20 | C19 | C21 | H24 | 180.0° | 179.7° |
| C19 | C20 | C22 | H25 | 179.9° | 180.0° |
| C18 | C21 | C19 | H24 | 180.0° | 180.0° |
| C18 | C21 | C19 | F1 | 179.7° | 180.0° |
| C19 | C21 | C18 | H22 | 179.9° | 180.0° |
| C21 | C19 | C20 | H23 | 180.0° | 179.9° |
| F1 | C19 | C20 | H23 | 0.3° | 0.4° |
| F1 | C19 | C21 | H24 | 0.3° | 0.0° |
| H1 | C1 | C2 | H3 | 76.7° | 49.4° |
| H1 | C1 | C2 | H4 | 42.7° | 169.3° |
| H2 | C1 | C2 | H3 | 43.1° | 71.1° |
| H2 | C1 | C2 | H4 | 162.5° | 48.7° |
| H13 | C11 | C12 | H15 | 59.3° | 59.1° |
| H13 | C11 | C12 | H16 | 178.5° | 179.3° |
| H14 | C11 | C12 | H15 | 61.3° | 60.9° |
| H14 | C11 | C12 | H16 | 58.0° | 59.3° |
| H15 | C12 | C13 | H17 | 51.3° | 57.7° |
| H16 | C12 | C13 | H17 | 170.6° | 177.8° |
| H17 | C13 | C14 | H18 | 168.3° | 57.7° |
| H17 | C13 | C14 | H19 | 49.3° | 177.8° |
| H18 | C14 | C15 | H20 | 53.6° | 60.9° |
| H18 | C14 | C15 | H21 | 173.6° | 59.1° |
| H19 | C14 | C15 | H20 | 65.4° | 59.2° |
| H19 | C14 | C15 | H21 | 54.6° | 179.2° |
| H22 | C18 | C21 | H24 | 0.1° | 0.0° |
| H23 | C20 | C22 | H25 | 0.1° | 0.4° |
| H28 | C25 | C26 | H29 | 0.2° | 0.1° |
| H29 | C26 | C27 | H30 | 0.0° | 0.0° |
