JZG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.43Å | Aromatic |
| C1 | C6 | doub | 1.41Å | 1.42Å | Aromatic |
| N1 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C10 | sing | 1.46Å | 1.49Å | |
| O1 | C3 | sing | 1.36Å | 1.36Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | doub | 1.38Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | N3 | doub | 1.29Å | 1.35Å | Aromatic |
| N2 | C17 | sing | 1.35Å | 1.34Å | Aromatic |
| O2 | C7 | doub | 1.22Å | 1.20Å | |
| C3 | C4 | sing | 1.41Å | 1.44Å | Aromatic |
| N3 | N4 | sing | 1.29Å | 1.35Å | Aromatic |
| O3 | C7 | sing | 1.35Å | 1.33Å | |
| C4 | C5 | doub | 1.39Å | 1.43Å | Aromatic |
| C4 | C7 | sing | 1.47Å | 1.37Å | |
| N4 | C18 | sing | 1.35Å | 1.33Å | Aromatic |
| N4 | C19 | sing | 1.46Å | 1.48Å | |
| O4 | C21 | doub | 1.21Å | 1.20Å | |
| C5 | C6 | sing | 1.39Å | 1.44Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N5 | C21 | sing | 1.35Å | 1.39Å | |
| N5 | C22 | sing | 1.40Å | 1.37Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C6 | C8 | sing | 1.47Å | 1.43Å | Aromatic |
| C8 | C9 | doub | 1.37Å | 1.41Å | Aromatic |
| C8 | C17 | sing | 1.48Å | 1.36Å | Aromatic |
| C9 | C11 | sing | 1.48Å | 1.36Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C11 | C12 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.37Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.43Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.39Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.39Å | 1.43Å | Aromatic |
| C25 | C28 | sing | 1.48Å | 1.35Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | doub | 1.39Å | 1.43Å | Aromatic |
| C28 | C33 | sing | 1.39Å | 1.43Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | doub | 1.38Å | 1.43Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | sing | 1.38Å | 1.42Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| O3 | H271 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 130.4° | 132.7° |
| N1 | C1 | C6 | 107.4° | 107.6° |
| C1 | N1 | C9 | 110.0° | 110.1° |
| C1 | N1 | C10 | 124.3° | 124.9° |
| C2 | C1 | C6 | 122.3° | 119.6° |
| C1 | C2 | C3 | 118.3° | 120.2° |
| C1 | C2 | H2 | 120.8° | 119.9° |
| C1 | C6 | C5 | 118.8° | 120.3° |
| C1 | C6 | C8 | 107.4° | 106.2° |
| C9 | N1 | C10 | 125.7° | 125.0° |
| N1 | C9 | C8 | 107.5° | 109.4° |
| N1 | C9 | C11 | 125.9° | 125.3° |
| N1 | C10 | H10 | 109.5° | 109.5° |
| N1 | C10 | H10A | 109.5° | 109.5° |
| N1 | C10 | H10B | 109.5° | 109.5° |
| C3 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C3 | C2 | 118.1° | 119.8° |
| O1 | C3 | C4 | 120.9° | 119.9° |
| C3 | C2 | H2 | 120.8° | 119.9° |
| C2 | C3 | C4 | 121.0° | 120.3° |
| N3 | N2 | C17 | 101.2° | 108.8° |
| N2 | N3 | N4 | 117.6° | 110.5° |
| N2 | C17 | C8 | 126.5° | 126.9° |
| N2 | C17 | C18 | 109.8° | 106.2° |
| O2 | C7 | O3 | 118.8° | 120.0° |
| O2 | C7 | C4 | 121.5° | 120.0° |
| C3 | C4 | C5 | 119.6° | 119.9° |
| C3 | C4 | C7 | 121.7° | 120.0° |
| N3 | N4 | C18 | 101.2° | 108.5° |
| N3 | N4 | C19 | 130.1° | 125.7° |
| O3 | C7 | C4 | 119.7° | 120.0° |
| C7 | O3 | H271 | 109.5° | 117.0° |
| C5 | C4 | C7 | 118.7° | 120.0° |
| C4 | C5 | C6 | 120.0° | 119.6° |
| C4 | C5 | H5 | 120.0° | 120.2° |
| C18 | N4 | C19 | 128.8° | 125.8° |
| N4 | C18 | C17 | 110.3° | 106.0° |
| N4 | C18 | H18 | 124.9° | 127.0° |
| N4 | C19 | C20 | 109.0° | 109.5° |
| N4 | C19 | H19 | 109.7° | 109.5° |
| N4 | C19 | H19A | 109.6° | 109.5° |
| O4 | C21 | N5 | 119.5° | 120.0° |
| O4 | C21 | C20 | 119.3° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.2° |
| C5 | C6 | C8 | 133.8° | 133.4° |
| C21 | N5 | C22 | 122.0° | 120.0° |
| C21 | N5 | HN5 | 119.0° | 120.0° |
| N5 | C21 | C20 | 121.2° | 120.0° |
| C22 | N5 | HN5 | 119.0° | 120.0° |
| N5 | C22 | C23 | 119.7° | 120.0° |
| N5 | C22 | C27 | 120.5° | 119.9° |
| C6 | C8 | C9 | 107.7° | 106.6° |
| C6 | C8 | C17 | 125.2° | 126.7° |
| C9 | C8 | C17 | 127.0° | 126.7° |
| C8 | C9 | C11 | 126.6° | 125.3° |
| C8 | C17 | C18 | 123.8° | 126.9° |
| C9 | C11 | C12 | 120.0° | 120.1° |
| C9 | C11 | C16 | 120.2° | 120.2° |
| H10 | C10 | H10A | 109.4° | 109.4° |
| H10 | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| C12 | C11 | C16 | 119.8° | 119.7° |
| C11 | C12 | C13 | 120.0° | 119.8° |
| C11 | C12 | H12 | 120.0° | 120.1° |
| C11 | C16 | C15 | 119.8° | 119.8° |
| C11 | C16 | H16 | 120.1° | 120.1° |
| C13 | C12 | H12 | 120.0° | 120.1° |
| C12 | C13 | C14 | 120.0° | 120.2° |
| C12 | C13 | H13 | 120.0° | 119.9° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.2° | 120.3° |
| C13 | C14 | H14 | 119.9° | 119.8° |
| C15 | C14 | H14 | 119.9° | 119.9° |
| C14 | C15 | C16 | 120.2° | 120.2° |
| C14 | C15 | H15 | 119.9° | 119.9° |
| C16 | C15 | H15 | 119.9° | 119.9° |
| C15 | C16 | H16 | 120.1° | 120.1° |
| C17 | C18 | H18 | 124.9° | 127.0° |
| C20 | C19 | H19 | 109.6° | 109.5° |
| C20 | C19 | H19A | 109.6° | 109.4° |
| C19 | C20 | C21 | 110.8° | 109.5° |
| C19 | C20 | H20 | 109.1° | 109.5° |
| C19 | C20 | H20A | 109.1° | 109.5° |
| H19 | C19 | H19A | 109.3° | 109.5° |
| C21 | C20 | H20 | 109.0° | 109.5° |
| C21 | C20 | H20A | 109.0° | 109.4° |
| H20 | C20 | H20A | 109.9° | 109.5° |
| C23 | C22 | C27 | 119.8° | 120.1° |
| C22 | C23 | C24 | 120.2° | 120.1° |
| C22 | C23 | H23 | 119.9° | 119.9° |
| C22 | C27 | C26 | 120.2° | 120.0° |
| C22 | C27 | H27 | 119.9° | 120.0° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C23 | C24 | C25 | 120.2° | 119.9° |
| C23 | C24 | H24 | 119.9° | 120.1° |
| C25 | C24 | H24 | 119.9° | 120.0° |
| C24 | C25 | C26 | 119.6° | 119.9° |
| C24 | C25 | C28 | 120.0° | 120.0° |
| C26 | C25 | C28 | 120.3° | 120.1° |
| C25 | C26 | C27 | 120.1° | 120.0° |
| C25 | C26 | H26 | 120.0° | 120.0° |
| C25 | C28 | C29 | 120.5° | 120.1° |
| C25 | C28 | C33 | 119.9° | 120.2° |
| C27 | C26 | H26 | 119.9° | 120.0° |
| C26 | C27 | H27 | 120.0° | 119.9° |
| C29 | C28 | C33 | 119.6° | 119.7° |
| C28 | C29 | C30 | 120.0° | 119.9° |
| C28 | C29 | H29 | 120.0° | 120.1° |
| C28 | C33 | C32 | 120.2° | 119.9° |
| C28 | C33 | H33 | 119.9° | 120.1° |
| C30 | C29 | H29 | 120.0° | 120.0° |
| C29 | C30 | C31 | 120.0° | 120.1° |
| C29 | C30 | H30 | 120.0° | 120.0° |
| C31 | C30 | H30 | 120.0° | 119.9° |
| C30 | C31 | C32 | 120.1° | 120.2° |
| C30 | C31 | H31 | 119.9° | 119.9° |
| C32 | C31 | H31 | 120.0° | 119.9° |
| C31 | C32 | C33 | 120.2° | 120.1° |
| C31 | C32 | H32 | 119.9° | 119.9° |
| C33 | C32 | H32 | 119.9° | 119.9° |
| C32 | C33 | H33 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | C6 | 179.8° | 179.7° |
| C1 | N1 | C9 | C10 | 179.8° | 179.9° |
| N1 | C1 | C2 | C3 | 179.9° | 180.0° |
| N1 | C1 | C2 | H2 | 0.1° | 0.1° |
| N1 | C1 | C6 | C5 | 179.8° | 179.7° |
| N1 | C1 | C6 | C8 | 0.4° | 0.0° |
| C1 | N1 | C9 | C8 | 0.1° | 0.5° |
| C1 | N1 | C9 | C11 | 179.6° | 180.0° |
| C1 | N1 | C10 | H10 | 180.0° | 90.1° |
| C1 | N1 | C10 | H10A | 60.0° | 150.0° |
| C1 | N1 | C10 | H10B | 60.0° | 30.0° |
| C2 | C1 | N1 | C9 | 179.5° | 180.0° |
| C2 | C1 | N1 | C10 | 0.2° | 0.1° |
| C1 | C2 | C3 | O1 | 179.8° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C2 | C1 | C6 | C5 | 0.3° | 0.6° |
| C2 | C1 | C6 | C8 | 179.4° | 179.7° |
| C6 | C1 | N1 | C9 | 0.4° | 0.3° |
| C6 | C1 | N1 | C10 | 179.9° | 179.8° |
| C6 | C1 | C2 | C3 | 0.1° | 0.3° |
| C6 | C1 | C2 | H2 | 180.0° | 179.7° |
| C1 | C6 | C5 | C4 | 0.1° | 0.5° |
| C1 | C6 | C5 | C8 | 179.6° | 179.6° |
| C1 | C6 | C5 | H5 | 179.8° | 179.7° |
| C1 | C6 | C8 | C9 | 0.4° | 0.3° |
| C1 | C6 | C8 | C17 | 179.5° | 180.0° |
| N1 | C9 | C8 | C6 | 0.1° | 0.5° |
| N1 | C9 | C8 | C11 | 179.7° | 179.5° |
| N1 | C9 | C8 | C17 | 179.7° | 179.8° |
| C9 | N1 | C10 | H10 | 0.3° | 90.0° |
| C9 | N1 | C10 | H10A | 119.7° | 29.9° |
| C9 | N1 | C10 | H10B | 120.3° | 150.0° |
| N1 | C9 | C11 | C12 | 93.2° | 45.1° |
| N1 | C9 | C11 | C16 | 86.7° | 134.7° |
| C10 | N1 | C9 | C8 | 179.9° | 179.6° |
| C10 | N1 | C9 | C11 | 0.2° | 0.1° |
| N1 | C10 | H10 | H10A | 120.0° | 119.9° |
| N1 | C10 | H10 | H10B | 120.0° | 120.1° |
| N1 | C10 | H10A | H10B | 120.0° | 120.1° |
| O1 | C3 | C2 | C4 | 179.9° | 179.9° |
| O1 | C3 | C2 | H2 | 0.2° | 0.1° |
| O1 | C3 | C4 | C5 | 179.7° | 179.9° |
| O1 | C3 | C4 | C7 | 0.5° | 0.0° |
| HO1 | O1 | C3 | C2 | 163.4° | 90.1° |
| HO1 | O1 | C3 | C4 | 16.7° | 90.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | C7 | 179.4° | 179.9° |
| H2 | C2 | C3 | C4 | 179.7° | 180.0° |
| N2 | N3 | N4 | C18 | 0.0° | 0.1° |
| N2 | N3 | N4 | C19 | 179.8° | 180.0° |
| N3 | N2 | C17 | C8 | 179.8° | 180.0° |
| N3 | N2 | C17 | C18 | 0.1° | 0.0° |
| C17 | N2 | N3 | N4 | 0.1° | 0.1° |
| N2 | C17 | C18 | N4 | 0.1° | 0.0° |
| N2 | C17 | C8 | C6 | 102.5° | 180.0° |
| N2 | C17 | C8 | C9 | 77.6° | 0.3° |
| N2 | C17 | C8 | C18 | 179.8° | 180.0° |
| N2 | C17 | C18 | H18 | 179.9° | 180.0° |
| O2 | C7 | C4 | C3 | 55.2° | 0.0° |
| O2 | C7 | O3 | C4 | 179.8° | 179.9° |
| O2 | C7 | C4 | C5 | 125.0° | 179.9° |
| O2 | C7 | O3 | H271 | 0.0° | 0.1° |
| C3 | C4 | C7 | O3 | 125.0° | 180.0° |
| C3 | C4 | C5 | C7 | 179.8° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.2° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| N3 | N4 | C18 | C19 | 179.8° | 179.9° |
| N3 | N4 | C18 | C17 | 0.0° | 0.1° |
| N3 | N4 | C18 | H18 | 180.0° | 180.0° |
| N3 | N4 | C19 | C20 | 117.8° | 55.0° |
| N3 | N4 | C19 | H19 | 2.2° | 65.1° |
| N3 | N4 | C19 | H19A | 122.2° | 174.9° |
| O3 | C7 | C4 | C5 | 54.8° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | C8 | 179.5° | 179.9° |
| C7 | C4 | C5 | C6 | 179.6° | 179.7° |
| C7 | C4 | C5 | H5 | 0.4° | 0.0° |
| C4 | C7 | O3 | H271 | 179.8° | 180.0° |
| N4 | C18 | C17 | C8 | 179.8° | 180.0° |
| N4 | C18 | C17 | H18 | 180.0° | 180.0° |
| C18 | N4 | C19 | C20 | 61.9° | 125.0° |
| C18 | N4 | C19 | H19 | 178.1° | 115.0° |
| C18 | N4 | C19 | H19A | 58.1° | 5.0° |
| C19 | N4 | C18 | C17 | 179.8° | 180.0° |
| C19 | N4 | C18 | H18 | 0.2° | 0.0° |
| N4 | C19 | C20 | H19 | 120.0° | 120.0° |
| N4 | C19 | C20 | H19A | 120.0° | 120.0° |
| N4 | C19 | H19 | H19A | 120.2° | 120.0° |
| N4 | C19 | C20 | C21 | 110.2° | 180.0° |
| N4 | C19 | C20 | H20 | 129.8° | 60.0° |
| N4 | C19 | C20 | H20A | 9.8° | 60.0° |
| O4 | C21 | N5 | C20 | 179.1° | 180.0° |
| O4 | C21 | N5 | C22 | 110.3° | 5.3° |
| O4 | C21 | N5 | HN5 | 69.7° | 174.7° |
| O4 | C21 | C20 | C19 | 82.5° | 0.0° |
| O4 | C21 | C20 | H20 | 37.6° | 120.0° |
| O4 | C21 | C20 | H20A | 157.5° | 120.1° |
| C5 | C6 | C8 | C9 | 180.0° | 179.3° |
| C5 | C6 | C8 | C17 | 0.2° | 0.4° |
| H5 | C5 | C6 | C8 | 0.5° | 0.1° |
| C21 | N5 | C22 | HN5 | 180.0° | 180.0° |
| N5 | C21 | C20 | C19 | 98.5° | 180.0° |
| N5 | C21 | C20 | H20 | 141.5° | 60.0° |
| N5 | C21 | C20 | H20A | 21.6° | 60.0° |
| C21 | N5 | C22 | C23 | 112.5° | 146.7° |
| C21 | N5 | C22 | C27 | 67.4° | 33.6° |
| C22 | N5 | C21 | C20 | 70.6° | 174.8° |
| N5 | C22 | C23 | C27 | 179.9° | 179.7° |
| N5 | C22 | C23 | C24 | 179.7° | 180.0° |
| N5 | C22 | C23 | H23 | 0.3° | 0.1° |
| N5 | C22 | C27 | C26 | 179.6° | 179.8° |
| N5 | C22 | C27 | H27 | 0.3° | 0.0° |
| HN5 | N5 | C21 | C20 | 109.4° | 5.2° |
| HN5 | N5 | C22 | C23 | 67.5° | 33.3° |
| HN5 | N5 | C22 | C27 | 112.6° | 146.4° |
| C6 | C8 | C9 | C17 | 179.9° | 179.7° |
| C6 | C8 | C9 | C11 | 179.9° | 180.0° |
| C6 | C8 | C17 | C18 | 77.6° | 0.0° |
| C8 | C9 | C11 | C12 | 86.5° | 135.5° |
| C8 | C9 | C11 | C16 | 93.7° | 44.7° |
| C9 | C8 | C17 | C18 | 102.2° | 179.7° |
| C17 | C8 | C9 | C11 | 0.0° | 0.3° |
| C8 | C17 | C18 | H18 | 0.2° | 0.0° |
| C9 | C11 | C12 | C16 | 179.9° | 179.8° |
| C9 | C11 | C12 | C13 | 179.9° | 180.0° |
| C9 | C11 | C12 | H12 | 0.1° | 0.0° |
| C9 | C11 | C16 | C15 | 179.8° | 179.7° |
| C9 | C11 | C16 | H16 | 0.1° | 0.0° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C11 | C16 | C15 | 0.0° | 0.5° |
| C12 | C11 | C16 | H16 | 180.0° | 179.7° |
| C16 | C11 | C12 | C13 | 0.0° | 0.2° |
| C16 | C11 | C12 | H12 | 180.0° | 179.8° |
| C11 | C16 | C15 | C14 | 0.1° | 0.6° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C11 | C16 | C15 | H15 | 179.9° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C12 | C13 | C14 | H14 | 180.0° | 180.0° |
| H12 | C12 | C13 | C14 | 179.9° | 179.9° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.3° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| H13 | C13 | C14 | C15 | 180.0° | 180.0° |
| H13 | C13 | C14 | H14 | 0.0° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C14 | C15 | C16 | H16 | 179.9° | 179.7° |
| H14 | C14 | C15 | C16 | 179.9° | 179.7° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| H15 | C15 | C16 | H16 | 0.0° | 0.0° |
| C20 | C19 | H19 | H19A | 120.2° | 120.0° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C19 | C20 | H20 | H20A | 119.5° | 120.1° |
| H19 | C19 | C20 | C21 | 9.8° | 60.0° |
| H19 | C19 | C20 | H20 | 110.2° | 180.0° |
| H19 | C19 | C20 | H20A | 129.8° | 60.0° |
| H19A | C19 | C20 | C21 | 129.8° | 60.0° |
| H19A | C19 | C20 | H20 | 9.8° | 60.0° |
| H19A | C19 | C20 | H20A | 110.2° | 180.0° |
| C21 | C20 | H20 | H20A | 119.4° | 119.9° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| C23 | C22 | C27 | C26 | 0.3° | 0.6° |
| C23 | C22 | C27 | H27 | 179.7° | 179.7° |
| C27 | C22 | C23 | C24 | 0.2° | 0.3° |
| C27 | C22 | C23 | H23 | 179.8° | 179.7° |
| C22 | C27 | C26 | C25 | 0.1° | 0.5° |
| C22 | C27 | C26 | H27 | 180.0° | 179.8° |
| C22 | C27 | C26 | H26 | 179.9° | 179.7° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C23 | C24 | C25 | C28 | 179.7° | 180.0° |
| H23 | C23 | C24 | C25 | 180.0° | 180.0° |
| H23 | C23 | C24 | H24 | 0.0° | 0.0° |
| C24 | C25 | C26 | C28 | 179.9° | 180.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.2° |
| C24 | C25 | C26 | H26 | 179.9° | 180.0° |
| C24 | C25 | C28 | C29 | 76.3° | 180.0° |
| C24 | C25 | C28 | C33 | 103.8° | 0.3° |
| H24 | C24 | C25 | C26 | 179.8° | 180.0° |
| H24 | C24 | C25 | C28 | 0.3° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.8° |
| C25 | C26 | C27 | H27 | 179.9° | 179.7° |
| C26 | C25 | C28 | C29 | 103.9° | 0.0° |
| C26 | C25 | C28 | C33 | 76.1° | 179.8° |
| C28 | C25 | C26 | C27 | 179.7° | 179.8° |
| C28 | C25 | C26 | H26 | 0.2° | 0.0° |
| C25 | C28 | C29 | C33 | 180.0° | 179.8° |
| C25 | C28 | C29 | C30 | 180.0° | 180.0° |
| C25 | C28 | C29 | H29 | 0.0° | 0.1° |
| C25 | C28 | C33 | C32 | 180.0° | 179.8° |
| C25 | C28 | C33 | H33 | 0.0° | 0.0° |
| H26 | C26 | C27 | H27 | 0.1° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.1° | 0.0° |
| C28 | C29 | C30 | H30 | 179.9° | 180.0° |
| C29 | C28 | C33 | C32 | 0.0° | 0.5° |
| C29 | C28 | C33 | H33 | 179.9° | 179.7° |
| C33 | C28 | C29 | C30 | 0.0° | 0.2° |
| C33 | C28 | C29 | H29 | 180.0° | 179.8° |
| C28 | C33 | C32 | C31 | 0.1° | 0.5° |
| C28 | C33 | C32 | H33 | 180.0° | 179.8° |
| C28 | C33 | C32 | H32 | 180.0° | 179.7° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C29 | C30 | C31 | H31 | 179.9° | 180.0° |
| H29 | C29 | C30 | C31 | 179.9° | 179.9° |
| H29 | C29 | C30 | H30 | 0.1° | 0.1° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.1° | 0.3° |
| C30 | C31 | C32 | H32 | 179.9° | 179.9° |
| H30 | C30 | C31 | C32 | 179.8° | 180.0° |
| H30 | C30 | C31 | H31 | 0.2° | 0.1° |
| C31 | C32 | C33 | H32 | 180.0° | 179.8° |
| C31 | C32 | C33 | H33 | 179.9° | 179.7° |
| H31 | C31 | C32 | C33 | 179.9° | 179.8° |
| H31 | C31 | C32 | H32 | 0.1° | 0.0° |
| H32 | C32 | C33 | H33 | 0.1° | 0.1° |
