QD2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | S | doub | 1.42Å | 1.43Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| S | N | sing | 1.66Å | 1.62Å | |
| S | C1 | sing | 1.76Å | 1.78Å | |
| N | C | sing | 1.47Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | N4 | sing | 1.47Å | 1.46Å | |
| C19 | N4 | sing | 1.47Å | 1.46Å | |
| O2 | C6 | sing | 1.43Å | 1.43Å | |
| O2 | C5 | sing | 1.36Å | 1.34Å | |
| C21 | C16 | sing | 1.53Å | 1.53Å | |
| C1 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| N4 | C18 | sing | 1.47Å | 1.46Å | |
| C5 | N1 | sing | 1.32Å | 1.32Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | N3 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| O4 | C15 | doub | 1.22Å | 1.23Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| N3 | C15 | sing | 1.35Å | 1.34Å | |
| N1 | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | C12 | sing | 1.48Å | 1.50Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | N2 | sing | 1.40Å | 1.42Å | |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| N2 | C14 | sing | 1.40Å | 1.41Å | |
| N2 | C7 | sing | 1.47Å | 1.46Å | |
| C14 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.54Å | 1.50Å | |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | O3 | sing | 1.36Å | 1.37Å | |
| O3 | C8 | sing | 1.43Å | 1.43Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.08Å | 1.08Å | |
| C2 | H26 | sing | 1.08Å | 1.08Å | |
| N | H27 | sing | 0.97Å | 1.00Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S | O | 119.4° | 123.1° |
| O1 | S | N | 108.0° | 106.4° |
| O1 | S | C1 | 107.5° | 106.4° |
| O | S | N | 105.7° | 106.4° |
| O | S | C1 | 107.4° | 106.4° |
| N | S | C1 | 108.5° | 107.2° |
| S | N | C | 120.2° | 120.0° |
| S | N | H27 | 106.7° | 120.1° |
| S | C1 | C5 | 123.9° | 120.4° |
| S | C1 | C2 | 117.1° | 120.4° |
| C | N | H27 | 106.7° | 119.9° |
| N | C | H28 | 109.5° | 109.5° |
| N | C | H29 | 109.5° | 109.4° |
| N | C | H30 | 109.5° | 109.4° |
| C21 | C20 | N4 | 111.1° | 109.5° |
| C20 | C21 | C16 | 111.2° | 109.3° |
| C21 | C20 | H14 | 109.1° | 109.4° |
| C21 | C20 | H15 | 109.1° | 109.4° |
| C20 | C21 | H16 | 109.0° | 109.5° |
| C20 | C21 | H17 | 109.0° | 109.6° |
| C20 | N4 | C19 | 111.0° | 111.0° |
| C20 | N4 | C18 | 109.1° | 111.1° |
| N4 | C20 | H14 | 109.0° | 109.5° |
| N4 | C20 | H15 | 109.1° | 109.5° |
| C19 | N4 | C18 | 110.8° | 111.0° |
| N4 | C19 | H20 | 109.5° | 109.4° |
| N4 | C19 | H21 | 109.5° | 109.5° |
| N4 | C19 | H22 | 109.5° | 109.5° |
| C6 | O2 | C5 | 117.3° | 117.0° |
| O2 | C6 | H3 | 109.5° | 109.5° |
| O2 | C6 | H4 | 109.5° | 109.5° |
| O2 | C6 | H5 | 109.4° | 109.5° |
| O2 | C5 | C1 | 117.8° | 119.6° |
| O2 | C5 | N1 | 119.9° | 119.6° |
| C21 | C16 | N3 | 109.8° | 109.5° |
| C21 | C16 | C17 | 111.6° | 109.1° |
| C16 | C21 | H16 | 109.0° | 109.5° |
| C16 | C21 | H17 | 109.1° | 109.5° |
| C21 | C16 | H18 | 108.3° | 109.5° |
| C5 | C1 | C2 | 119.0° | 119.2° |
| C1 | C5 | N1 | 122.4° | 120.8° |
| C1 | C2 | C3 | 118.2° | 118.4° |
| C1 | C2 | H26 | 120.8° | 120.8° |
| N4 | C18 | C17 | 111.0° | 109.5° |
| N4 | C18 | H23 | 109.1° | 109.5° |
| N4 | C18 | H24 | 109.1° | 109.5° |
| C5 | N1 | C4 | 118.2° | 121.7° |
| C2 | C3 | C4 | 118.6° | 119.1° |
| C2 | C3 | N2 | 120.6° | 120.5° |
| C3 | C2 | H26 | 120.9° | 120.8° |
| N3 | C16 | C17 | 109.5° | 109.5° |
| C16 | N3 | C15 | 122.2° | 120.0° |
| C16 | N3 | H1 | 118.9° | 120.0° |
| N3 | C16 | H18 | 109.2° | 109.6° |
| C16 | C17 | C18 | 111.2° | 109.3° |
| C16 | C17 | H12 | 109.0° | 109.5° |
| C16 | C17 | H13 | 109.0° | 109.5° |
| C17 | C16 | H18 | 108.3° | 109.5° |
| O4 | C15 | N3 | 121.9° | 120.0° |
| O4 | C15 | C12 | 120.4° | 120.0° |
| C18 | C17 | H12 | 109.0° | 109.6° |
| C18 | C17 | H13 | 109.0° | 109.5° |
| C17 | C18 | H23 | 109.1° | 109.4° |
| C17 | C18 | H24 | 109.1° | 109.5° |
| N3 | C15 | C12 | 117.7° | 120.0° |
| C15 | N3 | H1 | 118.9° | 120.0° |
| N1 | C4 | C3 | 123.5° | 120.7° |
| N1 | C4 | H2 | 118.3° | 119.6° |
| C15 | C12 | C13 | 115.9° | 120.1° |
| C15 | C12 | C11 | 124.6° | 120.1° |
| C4 | C3 | N2 | 120.7° | 120.4° |
| C3 | C4 | H2 | 118.2° | 119.6° |
| C3 | N2 | C14 | 122.9° | 121.2° |
| C3 | N2 | C7 | 115.3° | 121.1° |
| C12 | C13 | C14 | 120.0° | 119.8° |
| C13 | C12 | C11 | 119.5° | 119.7° |
| C12 | C13 | H11 | 120.0° | 120.1° |
| C13 | C14 | N2 | 121.8° | 120.0° |
| C13 | C14 | C9 | 119.4° | 120.3° |
| C14 | C13 | H11 | 120.0° | 120.1° |
| C12 | C11 | C10 | 121.0° | 120.2° |
| C12 | C11 | H25 | 119.5° | 119.9° |
| C14 | N2 | C7 | 117.5° | 117.7° |
| N2 | C14 | C9 | 118.7° | 119.7° |
| N2 | C7 | C8 | 108.0° | 107.6° |
| N2 | C7 | H6 | 109.8° | 109.8° |
| N2 | C7 | H7 | 109.9° | 109.8° |
| C14 | C9 | C10 | 121.2° | 119.8° |
| C14 | C9 | O3 | 122.1° | 120.7° |
| C11 | C10 | C9 | 118.9° | 120.2° |
| C11 | C10 | H10 | 120.6° | 119.9° |
| C10 | C11 | H25 | 119.5° | 119.9° |
| C7 | C8 | O3 | 110.1° | 108.8° |
| C8 | C7 | H6 | 109.8° | 109.9° |
| C8 | C7 | H7 | 109.8° | 109.8° |
| C7 | C8 | H8 | 109.3° | 109.6° |
| C7 | C8 | H9 | 109.3° | 109.6° |
| C10 | C9 | O3 | 116.7° | 119.5° |
| C9 | C10 | H10 | 120.6° | 119.9° |
| C9 | O3 | C8 | 113.7° | 117.8° |
| O3 | C8 | H8 | 109.3° | 109.6° |
| O3 | C8 | H9 | 109.3° | 109.7° |
| H3 | C6 | H4 | 109.5° | 109.4° |
| H3 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.8° |
| H8 | C8 | H9 | 109.4° | 109.6° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.4° | 109.6° |
| H20 | C19 | H22 | 109.5° | 109.4° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| H28 | C | H29 | 109.5° | 109.5° |
| H28 | C | H30 | 109.5° | 109.5° |
| H29 | C | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S | O | N | 121.8° | 122.9° |
| O1 | S | O | C1 | 122.6° | 122.9° |
| O1 | S | N | C1 | 116.2° | 113.5° |
| O1 | S | N | C | 66.6° | 178.6° |
| O1 | S | C1 | C5 | 31.6° | 178.6° |
| O1 | S | C1 | C2 | 150.2° | 1.4° |
| O1 | S | N | H27 | 54.9° | 1.4° |
| O | S | N | C1 | 115.0° | 113.6° |
| O | S | N | C | 164.5° | 48.6° |
| O | S | C1 | C5 | 161.2° | 48.5° |
| O | S | C1 | C2 | 20.5° | 131.5° |
| O | S | N | H27 | 73.9° | 131.5° |
| S | N | C | H27 | 121.5° | 180.0° |
| N | S | C1 | C5 | 85.0° | 65.0° |
| N | S | C1 | C2 | 93.3° | 114.9° |
| S | N | C | H28 | 180.0° | 180.0° |
| S | N | C | H29 | 60.0° | 60.0° |
| S | N | C | H30 | 60.0° | 60.0° |
| C1 | S | N | C | 49.6° | 65.0° |
| S | C1 | C5 | O2 | 0.5° | 0.0° |
| S | C1 | C5 | C2 | 178.2° | 180.0° |
| S | C1 | C5 | N1 | 178.5° | 180.0° |
| S | C1 | C2 | C3 | 177.4° | 179.9° |
| S | C1 | C2 | H26 | 2.6° | 0.1° |
| C1 | S | N | H27 | 171.1° | 115.0° |
| N | C | H28 | H29 | 120.0° | 120.0° |
| N | C | H28 | H30 | 120.0° | 120.0° |
| N | C | H29 | H30 | 120.0° | 120.0° |
| C21 | C20 | N4 | H14 | 120.2° | 120.0° |
| C21 | C20 | N4 | H15 | 120.2° | 120.0° |
| C21 | C20 | N4 | C19 | 174.3° | 174.2° |
| C20 | C21 | C16 | H16 | 120.3° | 119.9° |
| C20 | C21 | C16 | H17 | 120.2° | 120.0° |
| C21 | C20 | N4 | C18 | 63.4° | 61.7° |
| C20 | C21 | C16 | N3 | 170.0° | 177.5° |
| C20 | C21 | C16 | C17 | 48.3° | 57.7° |
| C21 | C20 | H14 | H15 | 119.3° | 119.9° |
| C20 | C21 | H16 | H17 | 119.2° | 120.2° |
| C20 | C21 | C16 | H18 | 70.8° | 62.2° |
| C20 | N4 | C19 | C18 | 121.3° | 124.2° |
| N4 | C20 | C21 | C16 | 56.1° | 59.2° |
| C20 | N4 | C18 | C17 | 63.3° | 61.8° |
| N4 | C20 | H14 | H15 | 119.2° | 120.0° |
| N4 | C20 | C21 | H16 | 64.1° | 60.7° |
| N4 | C20 | C21 | H17 | 176.4° | 179.1° |
| C20 | N4 | C19 | H20 | 180.0° | 60.0° |
| C20 | N4 | C19 | H21 | 60.0° | 180.0° |
| C20 | N4 | C19 | H22 | 60.0° | 59.9° |
| C20 | N4 | C18 | H23 | 57.0° | 178.3° |
| C20 | N4 | C18 | H24 | 176.5° | 58.3° |
| C19 | N4 | C18 | C17 | 174.3° | 174.2° |
| C19 | N4 | C20 | H14 | 65.5° | 65.8° |
| C19 | N4 | C20 | H15 | 54.0° | 54.2° |
| N4 | C19 | H20 | H21 | 120.0° | 120.0° |
| N4 | C19 | H20 | H22 | 120.0° | 119.9° |
| N4 | C19 | H21 | H22 | 120.0° | 120.0° |
| C19 | N4 | C18 | H23 | 65.5° | 54.2° |
| C19 | N4 | C18 | H24 | 54.1° | 65.8° |
| C6 | O2 | C5 | C1 | 175.9° | 180.0° |
| C6 | O2 | C5 | N1 | 2.2° | 0.0° |
| O2 | C6 | H3 | H4 | 120.0° | 120.0° |
| O2 | C6 | H3 | H5 | 120.0° | 120.1° |
| O2 | C6 | H4 | H5 | 120.0° | 120.1° |
| O2 | C5 | C1 | N1 | 178.0° | 180.0° |
| O2 | C5 | C1 | C2 | 177.7° | 179.9° |
| O2 | C5 | N1 | C4 | 176.9° | 180.0° |
| C5 | O2 | C6 | H3 | 180.0° | 60.0° |
| C5 | O2 | C6 | H4 | 60.0° | 180.0° |
| C5 | O2 | C6 | H5 | 60.0° | 60.0° |
| C21 | C16 | N3 | C17 | 122.9° | 119.6° |
| C21 | C16 | N3 | H18 | 118.7° | 120.2° |
| C21 | C16 | C17 | H18 | 119.2° | 119.9° |
| C21 | C16 | C17 | C18 | 48.3° | 57.7° |
| C21 | C16 | N3 | C15 | 107.3° | 155.0° |
| C21 | C16 | N3 | H1 | 72.7° | 24.9° |
| C21 | C16 | C17 | H12 | 71.9° | 62.3° |
| C21 | C16 | C17 | H13 | 168.6° | 177.6° |
| C16 | C21 | C20 | H14 | 64.1° | 60.8° |
| C16 | C21 | C20 | H15 | 176.4° | 179.2° |
| C16 | C21 | H16 | H17 | 119.2° | 120.0° |
| C5 | C1 | C2 | C3 | 0.9° | 0.1° |
| C1 | C5 | N1 | C4 | 1.1° | 0.1° |
| C5 | C1 | C2 | H26 | 179.1° | 179.9° |
| C2 | C1 | C5 | N1 | 0.2° | 0.0° |
| C1 | C2 | C3 | H26 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 1.2° | 0.1° |
| C1 | C2 | C3 | N2 | 177.7° | 180.0° |
| N4 | C18 | C17 | C16 | 56.1° | 59.3° |
| N4 | C18 | C17 | H23 | 120.2° | 120.0° |
| N4 | C18 | C17 | H24 | 120.3° | 120.1° |
| N4 | C18 | C17 | H12 | 64.1° | 60.7° |
| N4 | C18 | C17 | H13 | 176.4° | 179.1° |
| C18 | N4 | C20 | H14 | 56.9° | 58.3° |
| C18 | N4 | C20 | H15 | 176.4° | 178.3° |
| C18 | N4 | C19 | H20 | 58.6° | 175.9° |
| C18 | N4 | C19 | H21 | 61.3° | 55.8° |
| C18 | N4 | C19 | H22 | 178.7° | 64.2° |
| N4 | C18 | H23 | H24 | 119.3° | 120.0° |
| C5 | N1 | C4 | C3 | 0.7° | 0.1° |
| C5 | N1 | C4 | H2 | 179.3° | 179.9° |
| C2 | C3 | C4 | N1 | 0.4° | 0.0° |
| C2 | C3 | C4 | N2 | 178.9° | 180.0° |
| C2 | C3 | N2 | C14 | 41.0° | 112.7° |
| C2 | C3 | N2 | C7 | 115.1° | 67.2° |
| C2 | C3 | C4 | H2 | 179.6° | 180.0° |
| N3 | C16 | C17 | H18 | 119.0° | 120.2° |
| C16 | N3 | C15 | O4 | 9.5° | 0.0° |
| N3 | C16 | C17 | C18 | 170.2° | 177.6° |
| C16 | N3 | C15 | H1 | 180.0° | 179.9° |
| C16 | N3 | C15 | C12 | 169.7° | 180.0° |
| N3 | C16 | C17 | H12 | 49.9° | 57.6° |
| N3 | C16 | C17 | H13 | 69.6° | 62.5° |
| N3 | C16 | C21 | H16 | 49.7° | 57.6° |
| N3 | C16 | C21 | H17 | 69.8° | 62.5° |
| C16 | C17 | C18 | H12 | 120.3° | 120.0° |
| C16 | C17 | C18 | H13 | 120.2° | 119.9° |
| C17 | C16 | N3 | C15 | 129.9° | 85.4° |
| C17 | C16 | N3 | H1 | 50.2° | 94.7° |
| C16 | C17 | H12 | H13 | 119.2° | 120.0° |
| C17 | C16 | C21 | H16 | 71.9° | 62.3° |
| C17 | C16 | C21 | H17 | 168.6° | 177.7° |
| C16 | C17 | C18 | H23 | 64.1° | 179.2° |
| C16 | C17 | C18 | H24 | 176.4° | 60.8° |
| O4 | C15 | N3 | C12 | 179.2° | 180.0° |
| O4 | C15 | C12 | C13 | 11.6° | 0.1° |
| O4 | C15 | C12 | C11 | 170.3° | 180.0° |
| O4 | C15 | N3 | H1 | 170.5° | 180.0° |
| C18 | C17 | H12 | H13 | 119.2° | 120.1° |
| C18 | C17 | C16 | H18 | 70.8° | 62.2° |
| C17 | C18 | H23 | H24 | 119.3° | 120.0° |
| N3 | C15 | C12 | C13 | 169.2° | 180.0° |
| N3 | C15 | C12 | C11 | 8.9° | 0.0° |
| C15 | N3 | C16 | H18 | 11.4° | 34.8° |
| N1 | C4 | C3 | H2 | 180.0° | 180.0° |
| N1 | C4 | C3 | N2 | 178.5° | 180.0° |
| C15 | C12 | C13 | C11 | 178.2° | 180.0° |
| C15 | C12 | C13 | C14 | 176.6° | 180.0° |
| C15 | C12 | C11 | C10 | 176.6° | 179.9° |
| C12 | C15 | N3 | H1 | 10.3° | 0.0° |
| C15 | C12 | C13 | H11 | 3.4° | 0.1° |
| C15 | C12 | C11 | H25 | 3.4° | 0.0° |
| C4 | C3 | N2 | C14 | 137.9° | 67.3° |
| C4 | C3 | N2 | C7 | 66.1° | 112.8° |
| C4 | C3 | C2 | H26 | 178.8° | 179.9° |
| C3 | N2 | C14 | C13 | 12.5° | 13.7° |
| C3 | N2 | C14 | C7 | 155.6° | 179.9° |
| C3 | N2 | C14 | C9 | 167.2° | 166.1° |
| C3 | N2 | C7 | C8 | 161.7° | 138.0° |
| N2 | C3 | C4 | H2 | 1.5° | 0.0° |
| C3 | N2 | C7 | H6 | 78.5° | 102.4° |
| C3 | N2 | C7 | H7 | 42.0° | 18.5° |
| N2 | C3 | C2 | H26 | 2.3° | 0.1° |
| C12 | C13 | C14 | H11 | 180.0° | 179.9° |
| C12 | C13 | C14 | N2 | 179.0° | 179.6° |
| C12 | C13 | C14 | C9 | 0.7° | 0.2° |
| C13 | C12 | C11 | C10 | 1.4° | 0.0° |
| C13 | C12 | C11 | H25 | 178.6° | 180.0° |
| C14 | C13 | C12 | C11 | 1.7° | 0.0° |
| C13 | C14 | N2 | C9 | 179.7° | 179.8° |
| C13 | C14 | N2 | C7 | 168.1° | 166.2° |
| C13 | C14 | C9 | C10 | 0.6° | 0.2° |
| C13 | C14 | C9 | O3 | 179.0° | 179.5° |
| C12 | C11 | C10 | H25 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.2° | 0.0° |
| C12 | C11 | C10 | H10 | 179.8° | 180.0° |
| C11 | C12 | C13 | H11 | 178.3° | 179.9° |
| C14 | N2 | C7 | C8 | 40.9° | 42.1° |
| N2 | C14 | C9 | C10 | 179.7° | 179.6° |
| N2 | C14 | C9 | O3 | 0.8° | 0.7° |
| C14 | N2 | C7 | H6 | 78.9° | 77.5° |
| C14 | N2 | C7 | H7 | 160.6° | 161.6° |
| N2 | C14 | C13 | H11 | 1.0° | 0.2° |
| C7 | N2 | C14 | C9 | 11.6° | 14.0° |
| N2 | C7 | C8 | H6 | 119.7° | 119.6° |
| N2 | C7 | C8 | H7 | 119.8° | 119.5° |
| N2 | C7 | C8 | O3 | 61.4° | 58.3° |
| N2 | C7 | H6 | H7 | 120.7° | 120.9° |
| N2 | C7 | C8 | H8 | 178.5° | 61.5° |
| N2 | C7 | C8 | H9 | 58.7° | 178.1° |
| C14 | C9 | C10 | C11 | 0.8° | 0.1° |
| C14 | C9 | C10 | O3 | 179.5° | 179.7° |
| C14 | C9 | O3 | C8 | 22.4° | 20.6° |
| C14 | C9 | C10 | H10 | 179.2° | 179.9° |
| C9 | C14 | C13 | H11 | 179.3° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | O3 | 178.7° | 179.6° |
| C7 | C8 | O3 | C9 | 52.9° | 49.6° |
| C7 | C8 | O3 | H8 | 120.1° | 119.8° |
| C7 | C8 | O3 | H9 | 120.1° | 119.8° |
| C8 | C7 | H6 | H7 | 120.7° | 120.9° |
| C7 | C8 | H8 | H9 | 119.7° | 120.3° |
| C10 | C9 | O3 | C8 | 158.1° | 159.8° |
| C9 | C10 | C11 | H25 | 179.8° | 180.0° |
| C9 | O3 | C8 | H8 | 173.0° | 70.2° |
| C9 | O3 | C8 | H9 | 67.2° | 169.5° |
| O3 | C9 | C10 | H10 | 1.3° | 0.5° |
| O3 | C8 | C7 | H6 | 58.3° | 61.3° |
| O3 | C8 | C7 | H7 | 178.8° | 177.8° |
| O3 | C8 | H8 | H9 | 119.7° | 120.4° |
| H1 | N3 | C16 | H18 | 168.6° | 145.1° |
| H3 | C6 | H4 | H5 | 120.0° | 119.9° |
| H6 | C7 | C8 | H8 | 61.8° | 178.9° |
| H6 | C7 | C8 | H9 | 178.4° | 58.6° |
| H7 | C7 | C8 | H8 | 58.7° | 58.0° |
| H7 | C7 | C8 | H9 | 61.1° | 62.3° |
| H10 | C10 | C11 | H25 | 0.2° | 0.1° |
| H12 | C17 | C16 | H18 | 168.9° | 177.8° |
| H12 | C17 | C18 | H23 | 175.7° | 59.3° |
| H12 | C17 | C18 | H24 | 56.1° | 179.2° |
| H13 | C17 | C16 | H18 | 49.4° | 57.7° |
| H13 | C17 | C18 | H23 | 56.1° | 60.9° |
| H13 | C17 | C18 | H24 | 63.4° | 59.1° |
| H14 | C20 | C21 | H16 | 175.7° | 179.3° |
| H14 | C20 | C21 | H17 | 56.2° | 59.1° |
| H15 | C20 | C21 | H16 | 56.1° | 59.3° |
| H15 | C20 | C21 | H17 | 63.3° | 60.8° |
| H16 | C21 | C16 | H18 | 168.9° | 177.8° |
| H17 | C21 | C16 | H18 | 49.5° | 57.8° |
| H20 | C19 | H21 | H22 | 120.0° | 120.0° |
| H27 | N | C | H28 | 58.5° | 0.0° |
| H27 | N | C | H29 | 178.5° | 120.0° |
| H27 | N | C | H30 | 61.5° | 120.0° |
| H28 | C | H29 | H30 | 120.0° | 120.1° |
