QFR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C24 | doub | 1.29Å | 1.30Å | Aromatic |
| N5 | C25 | sing | 1.31Å | 1.38Å | Aromatic |
| C24 | S1 | sing | 1.71Å | 1.71Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.50Å | |
| C25 | C15 | doub | 1.35Å | 1.36Å | Aromatic |
| S1 | C15 | sing | 1.76Å | 1.74Å | Aromatic |
| C15 | C12 | sing | 1.48Å | 1.48Å | |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.54Å | |
| C16 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | N2 | sing | 1.47Å | 1.46Å | |
| C8 | O3 | sing | 1.44Å | 1.46Å | |
| N2 | C7 | sing | 1.38Å | 1.35Å | |
| O3 | N3 | sing | 1.42Å | 1.42Å | |
| C3 | C2 | sing | 1.54Å | 1.53Å | |
| C3 | C4 | sing | 1.55Å | 1.52Å | |
| C7 | N3 | doub | 1.28Å | 1.28Å | |
| C7 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C4 | O2 | sing | 1.43Å | 1.42Å | |
| C4 | C1 | sing | 1.55Å | 1.52Å | |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.35Å | 1.35Å | |
| O1 | C5 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C20 | C18 | sing | 1.53Å | 1.52Å | |
| C6 | C18 | sing | 1.53Å | 1.54Å | |
| C6 | C17 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | C21 | doub | 1.35Å | 1.34Å | Aromatic |
| C17 | O4 | sing | 1.34Å | 1.35Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.42Å | Aromatic |
| O4 | N4 | sing | 1.21Å | 1.42Å | Aromatic |
| C22 | N4 | doub | 1.30Å | 1.30Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O2 | H16 | sing | 0.97Å | 0.95Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.08Å | 1.08Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | N5 | C25 | 109.2° | 117.3° |
| N5 | C24 | S1 | 115.7° | 110.3° |
| N5 | C24 | H9 | 122.2° | 124.8° |
| N5 | C25 | C26 | 119.0° | 122.9° |
| N5 | C25 | C15 | 115.0° | 114.3° |
| C24 | S1 | C15 | 88.7° | 90.4° |
| S1 | C24 | H9 | 122.1° | 124.9° |
| C26 | C25 | C15 | 126.0° | 122.8° |
| C25 | C26 | H10 | 109.5° | 109.4° |
| C25 | C26 | H15 | 109.5° | 109.5° |
| C25 | C26 | H17 | 109.5° | 109.5° |
| C25 | C15 | S1 | 108.8° | 107.8° |
| C25 | C15 | C12 | 128.2° | 126.2° |
| S1 | C15 | C12 | 122.8° | 126.1° |
| C15 | C12 | C11 | 121.0° | 120.1° |
| C15 | C12 | C13 | 121.3° | 120.2° |
| C11 | C12 | C13 | 117.7° | 119.7° |
| C12 | C11 | C10 | 121.1° | 119.8° |
| C12 | C11 | H12 | 119.4° | 120.0° |
| C12 | C13 | C14 | 121.2° | 119.9° |
| C12 | C13 | H13 | 119.4° | 120.1° |
| C11 | C10 | C9 | 121.1° | 120.2° |
| C11 | C10 | H11 | 119.4° | 119.9° |
| C10 | C11 | H12 | 119.4° | 120.1° |
| C13 | C14 | C9 | 121.0° | 120.1° |
| C14 | C13 | H13 | 119.4° | 120.0° |
| C13 | C14 | H14 | 119.5° | 120.0° |
| C10 | C9 | C14 | 117.9° | 120.3° |
| C10 | C9 | C8 | 120.3° | 119.9° |
| C9 | C10 | H11 | 119.4° | 119.9° |
| C14 | C9 | C8 | 121.8° | 119.9° |
| C9 | C14 | H14 | 119.5° | 119.9° |
| C9 | C8 | C16 | 115.2° | 110.5° |
| C9 | C8 | N2 | 115.2° | 110.4° |
| C9 | C8 | O3 | 107.6° | 110.4° |
| C16 | C8 | N2 | 109.4° | 110.5° |
| C16 | C8 | O3 | 108.7° | 110.5° |
| C8 | C16 | H18 | 109.5° | 109.5° |
| C8 | C16 | H19 | 109.4° | 109.5° |
| C8 | C16 | H20 | 109.5° | 109.5° |
| N2 | C8 | O3 | 99.4° | 104.3° |
| C8 | N2 | C7 | 109.3° | 106.8° |
| C8 | N2 | H8 | 125.3° | 126.6° |
| C8 | O3 | N3 | 108.0° | 106.3° |
| N2 | C7 | N3 | 111.7° | 111.5° |
| N2 | C7 | C2 | 124.0° | 124.2° |
| C7 | N2 | H8 | 125.3° | 126.6° |
| O3 | N3 | C7 | 108.2° | 111.0° |
| C2 | C3 | C4 | 101.9° | 103.0° |
| C3 | C2 | C7 | 108.5° | 110.0° |
| C3 | C2 | N1 | 103.1° | 107.3° |
| C3 | C2 | H3 | 109.7° | 109.9° |
| C2 | C3 | H4 | 111.3° | 110.8° |
| C2 | C3 | H5 | 111.3° | 110.7° |
| C3 | C4 | O2 | 108.3° | 111.0° |
| C3 | C4 | C1 | 102.1° | 101.5° |
| C4 | C3 | H4 | 111.3° | 110.6° |
| C4 | C3 | H5 | 111.3° | 110.8° |
| C3 | C4 | H6 | 110.9° | 111.0° |
| N3 | C7 | C2 | 124.2° | 124.3° |
| C7 | C2 | N1 | 114.5° | 109.9° |
| C7 | C2 | H3 | 110.2° | 109.9° |
| C2 | N1 | C1 | 111.3° | 108.8° |
| C2 | N1 | C5 | 122.1° | 125.6° |
| N1 | C2 | H3 | 110.5° | 109.9° |
| O2 | C4 | C1 | 111.8° | 110.9° |
| O2 | C4 | H6 | 112.4° | 110.9° |
| C4 | O2 | H16 | 109.5° | 114.0° |
| C4 | C1 | N1 | 101.9° | 104.9° |
| C4 | C1 | H1 | 111.4° | 110.4° |
| C4 | C1 | H2 | 111.3° | 110.4° |
| C1 | C4 | H6 | 110.9° | 111.2° |
| C1 | N1 | C5 | 126.4° | 125.6° |
| N1 | C1 | H1 | 111.3° | 110.4° |
| N1 | C1 | H2 | 111.3° | 110.3° |
| N1 | C5 | O1 | 120.8° | 120.0° |
| N1 | C5 | C6 | 118.7° | 120.0° |
| O1 | C5 | C6 | 120.4° | 120.0° |
| C5 | C6 | C18 | 114.6° | 109.5° |
| C5 | C6 | C17 | 105.4° | 109.5° |
| C5 | C6 | H7 | 107.4° | 109.5° |
| C20 | C18 | C6 | 112.4° | 109.5° |
| C20 | C18 | C19 | 109.1° | 109.5° |
| C20 | C18 | H21 | 107.4° | 109.4° |
| C18 | C20 | H25 | 109.5° | 109.5° |
| C18 | C20 | H26 | 109.5° | 109.5° |
| C18 | C20 | H27 | 109.5° | 109.5° |
| C18 | C6 | C17 | 114.3° | 109.5° |
| C6 | C18 | C19 | 112.9° | 109.5° |
| C18 | C6 | H7 | 107.2° | 109.5° |
| C6 | C18 | H21 | 107.3° | 109.5° |
| C6 | C17 | C21 | 134.6° | 126.8° |
| C6 | C17 | O4 | 116.4° | 126.7° |
| C17 | C6 | H7 | 107.7° | 109.4° |
| C19 | C18 | H21 | 107.5° | 109.5° |
| C18 | C19 | H22 | 109.5° | 109.4° |
| C18 | C19 | H23 | 109.5° | 109.5° |
| C18 | C19 | H24 | 109.5° | 109.5° |
| C21 | C17 | O4 | 108.9° | 106.5° |
| C17 | C21 | C22 | 105.4° | 103.9° |
| C17 | C21 | H28 | 127.3° | 128.1° |
| C17 | O4 | N4 | 109.1° | 111.6° |
| C21 | C22 | N4 | 111.3° | 106.4° |
| C21 | C22 | C23 | 128.4° | 126.8° |
| C22 | C21 | H28 | 127.3° | 128.0° |
| O4 | N4 | C22 | 105.3° | 111.6° |
| N4 | C22 | C23 | 120.3° | 126.8° |
| C22 | C23 | H29 | 109.5° | 109.4° |
| C22 | C23 | H30 | 109.4° | 109.5° |
| C22 | C23 | H31 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 110.3° |
| H4 | C3 | H5 | 109.5° | 110.8° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H18 | C16 | H20 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.4° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.4° |
| H22 | C19 | H24 | 109.5° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.6° |
| H25 | C20 | H26 | 109.5° | 109.4° |
| H25 | C20 | H27 | 109.5° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H29 | C23 | H31 | 109.4° | 109.4° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H10 | C26 | H15 | 109.5° | 109.5° |
| H10 | C26 | H17 | 109.4° | 109.5° |
| H15 | C26 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C24 | S1 | H9 | 180.0° | 180.0° |
| C24 | N5 | C25 | C26 | 163.2° | 180.0° |
| C24 | N5 | C25 | C15 | 17.6° | 0.5° |
| N5 | C24 | S1 | C15 | 7.7° | 0.0° |
| C25 | N5 | C24 | S1 | 15.4° | 0.3° |
| N5 | C25 | C26 | C15 | 179.1° | 179.4° |
| N5 | C25 | C15 | S1 | 11.9° | 0.5° |
| N5 | C25 | C15 | C12 | 164.0° | 179.8° |
| C25 | N5 | C24 | H9 | 164.6° | 179.7° |
| N5 | C25 | C26 | H10 | 0.0° | 95.3° |
| N5 | C25 | C26 | H15 | 120.0° | 144.8° |
| N5 | C25 | C26 | H17 | 120.0° | 24.7° |
| C24 | S1 | C15 | C25 | 2.6° | 0.3° |
| C24 | S1 | C15 | C12 | 173.6° | 180.0° |
| C26 | C25 | C15 | S1 | 169.0° | 180.0° |
| C26 | C25 | C15 | C12 | 15.2° | 0.4° |
| C25 | C26 | H10 | H15 | 120.0° | 120.0° |
| C25 | C26 | H10 | H17 | 120.0° | 120.0° |
| C25 | C26 | H15 | H17 | 120.0° | 120.0° |
| C25 | C15 | S1 | C12 | 176.1° | 179.7° |
| C25 | C15 | C12 | C11 | 43.2° | 47.6° |
| C25 | C15 | C12 | C13 | 138.5° | 132.4° |
| C15 | C25 | C26 | H10 | 179.2° | 85.3° |
| C15 | C25 | C26 | H15 | 59.1° | 34.6° |
| C15 | C25 | C26 | H17 | 60.9° | 154.7° |
| S1 | C15 | C12 | C11 | 132.2° | 132.0° |
| S1 | C15 | C12 | C13 | 46.1° | 48.0° |
| C15 | S1 | C24 | H9 | 172.3° | 180.0° |
| C15 | C12 | C11 | C13 | 178.4° | 180.0° |
| C15 | C12 | C11 | C10 | 178.9° | 180.0° |
| C15 | C12 | C13 | C14 | 179.0° | 179.7° |
| C15 | C12 | C11 | H12 | 1.2° | 0.0° |
| C15 | C12 | C13 | H13 | 1.0° | 0.0° |
| C12 | C11 | C10 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.6° | 0.3° |
| C12 | C11 | C10 | C9 | 0.5° | 0.0° |
| C12 | C11 | C10 | H11 | 179.5° | 180.0° |
| C11 | C12 | C13 | H13 | 179.4° | 180.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.7° |
| C12 | C13 | C14 | C9 | 0.3° | 0.5° |
| C13 | C12 | C11 | H12 | 179.5° | 180.0° |
| C12 | C13 | C14 | H14 | 179.7° | 180.0° |
| C11 | C10 | C9 | H11 | 180.0° | 180.0° |
| C11 | C10 | C9 | C14 | 1.4° | 0.3° |
| C11 | C10 | C9 | C8 | 178.9° | 180.0° |
| C13 | C14 | C9 | C10 | 1.3° | 0.5° |
| C13 | C14 | C9 | H14 | 180.0° | 179.5° |
| C13 | C14 | C9 | C8 | 178.7° | 179.7° |
| C10 | C9 | C14 | C8 | 177.4° | 179.8° |
| C10 | C9 | C8 | C16 | 54.6° | 82.5° |
| C10 | C9 | C8 | N2 | 176.6° | 155.0° |
| C10 | C9 | C8 | O3 | 66.8° | 40.1° |
| C9 | C10 | C11 | H12 | 179.5° | 180.0° |
| C10 | C9 | C14 | H14 | 178.7° | 180.0° |
| C14 | C9 | C8 | C16 | 128.1° | 97.3° |
| C14 | C9 | C8 | N2 | 0.8° | 25.3° |
| C14 | C9 | C8 | O3 | 110.5° | 140.1° |
| C14 | C9 | C10 | H11 | 178.6° | 179.8° |
| C9 | C14 | C13 | H13 | 179.7° | 179.8° |
| C9 | C8 | C16 | N2 | 131.7° | 122.5° |
| C9 | C8 | C16 | O3 | 120.8° | 122.5° |
| C9 | C8 | N2 | O3 | 114.6° | 118.7° |
| C9 | C8 | N2 | C7 | 97.0° | 118.7° |
| C9 | C8 | O3 | N3 | 103.5° | 118.7° |
| C8 | C9 | C10 | H11 | 1.1° | 0.0° |
| C8 | C9 | C14 | H14 | 1.3° | 0.2° |
| C9 | C8 | C16 | H18 | 180.0° | 61.8° |
| C9 | C8 | C16 | H19 | 60.0° | 58.2° |
| C9 | C8 | C16 | H20 | 60.0° | 178.1° |
| C9 | C8 | N2 | H8 | 83.1° | 61.3° |
| C16 | C8 | N2 | O3 | 113.8° | 118.8° |
| C16 | C8 | N2 | C7 | 131.3° | 118.7° |
| C16 | C8 | O3 | N3 | 131.1° | 118.7° |
| C8 | C16 | H18 | H19 | 120.0° | 120.0° |
| C8 | C16 | H18 | H20 | 120.0° | 120.0° |
| C8 | C16 | H19 | H20 | 120.0° | 120.0° |
| C16 | C8 | N2 | H8 | 48.6° | 61.2° |
| C8 | N2 | C7 | H8 | 180.0° | 179.9° |
| N2 | C8 | O3 | N3 | 16.8° | 0.0° |
| C8 | N2 | C7 | N3 | 12.6° | 0.1° |
| C8 | N2 | C7 | C2 | 163.8° | 179.8° |
| N2 | C8 | C16 | H18 | 48.3° | 60.7° |
| N2 | C8 | C16 | H19 | 71.7° | 179.3° |
| N2 | C8 | C16 | H20 | 168.4° | 59.4° |
| O3 | C8 | N2 | C7 | 17.6° | 0.1° |
| C8 | O3 | N3 | C7 | 10.9° | 0.0° |
| O3 | C8 | C16 | H18 | 59.2° | 175.6° |
| O3 | C8 | C16 | H19 | 179.2° | 64.4° |
| O3 | C8 | C16 | H20 | 60.8° | 55.6° |
| O3 | C8 | N2 | H8 | 162.4° | 180.0° |
| N2 | C7 | N3 | O3 | 0.9° | 0.1° |
| N2 | C7 | C2 | C3 | 96.0° | 56.8° |
| N2 | C7 | N3 | C2 | 176.4° | 179.7° |
| N2 | C7 | C2 | N1 | 149.5° | 174.7° |
| N2 | C7 | C2 | H3 | 24.1° | 64.3° |
| O3 | N3 | C7 | C2 | 175.4° | 179.8° |
| C2 | C3 | C4 | H4 | 118.7° | 118.4° |
| C2 | C3 | C4 | H5 | 118.7° | 118.4° |
| C3 | C2 | C7 | N3 | 79.9° | 122.8° |
| C3 | C2 | C7 | N1 | 114.5° | 117.9° |
| C3 | C2 | C7 | H3 | 120.1° | 121.1° |
| C3 | C2 | N1 | H3 | 117.1° | 119.4° |
| C2 | C3 | C4 | O2 | 73.8° | 82.6° |
| C2 | C3 | C4 | C1 | 44.3° | 35.3° |
| C3 | C2 | N1 | C1 | 8.9° | 1.0° |
| C3 | C2 | N1 | C5 | 175.4° | 179.0° |
| C2 | C3 | H4 | H5 | 123.5° | 123.2° |
| C2 | C3 | C4 | H6 | 162.4° | 153.6° |
| C4 | C3 | C2 | C7 | 154.4° | 141.6° |
| C4 | C3 | C2 | N1 | 32.6° | 22.1° |
| C3 | C4 | O2 | C1 | 111.7° | 112.1° |
| C3 | C4 | O2 | H6 | 122.9° | 123.9° |
| C3 | C4 | C1 | H6 | 118.2° | 118.2° |
| C3 | C4 | C1 | N1 | 38.3° | 36.8° |
| C3 | C4 | C1 | H1 | 80.5° | 155.8° |
| C3 | C4 | C1 | H2 | 157.1° | 82.0° |
| C4 | C3 | C2 | H3 | 85.1° | 97.3° |
| C4 | C3 | H4 | H5 | 123.6° | 123.2° |
| C3 | C4 | O2 | H16 | 180.0° | 180.0° |
| N3 | C7 | C2 | N1 | 34.6° | 5.0° |
| N3 | C7 | C2 | H3 | 160.0° | 116.1° |
| N3 | C7 | N2 | H8 | 167.4° | 180.0° |
| C7 | C2 | N1 | H3 | 125.2° | 121.0° |
| C7 | C2 | N1 | C1 | 126.5° | 118.5° |
| C7 | C2 | N1 | C5 | 57.7° | 61.5° |
| C7 | C2 | C3 | H4 | 35.7° | 23.3° |
| C7 | C2 | C3 | H5 | 86.8° | 100.0° |
| C2 | C7 | N2 | H8 | 16.2° | 0.3° |
| C2 | N1 | C1 | C4 | 18.4° | 24.0° |
| C2 | N1 | C1 | C5 | 175.5° | 180.0° |
| C2 | N1 | C5 | O1 | 5.0° | 5.1° |
| C2 | N1 | C5 | C6 | 171.8° | 174.9° |
| C2 | N1 | C1 | H1 | 100.4° | 143.0° |
| C2 | N1 | C1 | H2 | 137.2° | 94.8° |
| N1 | C2 | C3 | H4 | 86.2° | 96.2° |
| N1 | C2 | C3 | H5 | 151.4° | 140.6° |
| O2 | C4 | C1 | H6 | 126.3° | 123.8° |
| O2 | C4 | C1 | N1 | 77.2° | 81.2° |
| O2 | C4 | C1 | H1 | 164.0° | 37.8° |
| O2 | C4 | C1 | H2 | 41.6° | 160.0° |
| O2 | C4 | C3 | H4 | 167.4° | 159.1° |
| O2 | C4 | C3 | H5 | 44.9° | 35.9° |
| C4 | C1 | N1 | H1 | 118.8° | 118.9° |
| C4 | C1 | N1 | H2 | 118.8° | 118.9° |
| C4 | C1 | N1 | C5 | 157.1° | 156.0° |
| C4 | C1 | H1 | H2 | 123.5° | 122.2° |
| C1 | C4 | C3 | H4 | 74.5° | 83.0° |
| C1 | C4 | C3 | H5 | 163.0° | 153.8° |
| C1 | C4 | O2 | H16 | 68.3° | 67.9° |
| C1 | N1 | C5 | O1 | 179.9° | 174.9° |
| C1 | N1 | C5 | C6 | 3.3° | 5.1° |
| N1 | C1 | H1 | H2 | 123.5° | 122.2° |
| C1 | N1 | C2 | H3 | 108.3° | 120.5° |
| N1 | C1 | C4 | H6 | 156.5° | 155.0° |
| N1 | C5 | O1 | C6 | 176.8° | 180.0° |
| N1 | C5 | C6 | C18 | 115.2° | 145.1° |
| N1 | C5 | C6 | C17 | 118.3° | 94.9° |
| C5 | N1 | C1 | H1 | 84.1° | 37.0° |
| C5 | N1 | C1 | H2 | 38.4° | 85.2° |
| C5 | N1 | C2 | H3 | 67.5° | 59.5° |
| N1 | C5 | C6 | H7 | 3.7° | 25.1° |
| O1 | C5 | C6 | C18 | 68.0° | 34.9° |
| O1 | C5 | C6 | C17 | 58.5° | 85.1° |
| O1 | C5 | C6 | H7 | 173.1° | 154.9° |
| C5 | C6 | C18 | C20 | 31.8° | 175.4° |
| C5 | C6 | C18 | C17 | 121.8° | 120.0° |
| C5 | C6 | C18 | H7 | 119.0° | 120.0° |
| C5 | C6 | C17 | H7 | 114.4° | 120.0° |
| C5 | C6 | C18 | C19 | 92.1° | 64.6° |
| C5 | C6 | C17 | C21 | 58.5° | 120.0° |
| C5 | C6 | C17 | O4 | 117.4° | 59.7° |
| C5 | C6 | C18 | H21 | 149.7° | 55.4° |
| C20 | C18 | C6 | C19 | 123.9° | 120.0° |
| C20 | C18 | C6 | H21 | 117.9° | 120.0° |
| C20 | C18 | C6 | C17 | 153.6° | 55.4° |
| C20 | C18 | C19 | H21 | 116.2° | 119.9° |
| C20 | C18 | C6 | H7 | 87.2° | 64.6° |
| C20 | C18 | C19 | H22 | 180.0° | 55.3° |
| C20 | C18 | C19 | H23 | 60.0° | 64.6° |
| C20 | C18 | C19 | H24 | 60.0° | 175.3° |
| C18 | C20 | H25 | H26 | 120.0° | 120.0° |
| C18 | C20 | H25 | H27 | 120.0° | 120.0° |
| C18 | C20 | H26 | H27 | 120.0° | 120.0° |
| C18 | C6 | C17 | H7 | 118.9° | 120.0° |
| C6 | C18 | C19 | H21 | 118.1° | 120.0° |
| C18 | C6 | C17 | C21 | 68.2° | 120.0° |
| C18 | C6 | C17 | O4 | 115.9° | 60.3° |
| C6 | C18 | C19 | H22 | 54.3° | 64.7° |
| C6 | C18 | C19 | H23 | 65.7° | 175.4° |
| C6 | C18 | C19 | H24 | 174.3° | 55.3° |
| C6 | C18 | C20 | H25 | 180.0° | 60.0° |
| C6 | C18 | C20 | H26 | 60.0° | 180.0° |
| C6 | C18 | C20 | H27 | 60.0° | 60.0° |
| C17 | C6 | C18 | C19 | 29.7° | 175.4° |
| C6 | C17 | C21 | O4 | 176.1° | 179.7° |
| C6 | C17 | C21 | C22 | 177.4° | 179.9° |
| C6 | C17 | O4 | N4 | 178.2° | 179.8° |
| C17 | C6 | C18 | H21 | 88.5° | 64.6° |
| C6 | C17 | C21 | H28 | 2.6° | 0.1° |
| C19 | C18 | C6 | H7 | 148.9° | 55.4° |
| C18 | C19 | H22 | H23 | 120.0° | 120.0° |
| C18 | C19 | H22 | H24 | 120.0° | 120.0° |
| C18 | C19 | H23 | H24 | 120.0° | 120.1° |
| C19 | C18 | C20 | H25 | 54.0° | 180.0° |
| C19 | C18 | C20 | H26 | 66.0° | 60.0° |
| C19 | C18 | C20 | H27 | 174.0° | 60.1° |
| C17 | C21 | C22 | H28 | 180.0° | 180.0° |
| C21 | C17 | O4 | N4 | 1.3° | 0.5° |
| C17 | C21 | C22 | N4 | 0.9° | 0.0° |
| C17 | C21 | C22 | C23 | 179.5° | 179.9° |
| C21 | C17 | C6 | H7 | 172.9° | 0.1° |
| O4 | C17 | C21 | C22 | 1.4° | 0.2° |
| C17 | O4 | N4 | C22 | 0.7° | 0.5° |
| O4 | C17 | C6 | H7 | 3.0° | 179.7° |
| O4 | C17 | C21 | H28 | 178.7° | 179.8° |
| C21 | C22 | N4 | O4 | 0.2° | 0.3° |
| C21 | C22 | N4 | C23 | 179.6° | 179.9° |
| C21 | C22 | C23 | H29 | 179.5° | 90.0° |
| C21 | C22 | C23 | H30 | 59.5° | 150.0° |
| C21 | C22 | C23 | H31 | 60.5° | 29.9° |
| O4 | N4 | C22 | C23 | 179.7° | 179.8° |
| N4 | C22 | C21 | H28 | 179.1° | 180.0° |
| N4 | C22 | C23 | H29 | 0.0° | 90.1° |
| N4 | C22 | C23 | H30 | 120.0° | 29.8° |
| N4 | C22 | C23 | H31 | 120.0° | 149.9° |
| C23 | C22 | C21 | H28 | 0.4° | 0.1° |
| C22 | C23 | H29 | H30 | 120.0° | 120.0° |
| C22 | C23 | H29 | H31 | 120.0° | 120.0° |
| C22 | C23 | H30 | H31 | 120.0° | 120.1° |
| H1 | C1 | C4 | H6 | 37.7° | 86.1° |
| H2 | C1 | C4 | H6 | 84.7° | 36.2° |
| H3 | C2 | C3 | H4 | 156.1° | 144.4° |
| H3 | C2 | C3 | H5 | 33.6° | 21.1° |
| H4 | C3 | C4 | H6 | 43.7° | 35.3° |
| H5 | C3 | C4 | H6 | 78.8° | 87.9° |
| H6 | C4 | O2 | H16 | 57.1° | 56.1° |
| H7 | C6 | C18 | H21 | 30.7° | 175.4° |
| H11 | C10 | C11 | H12 | 0.6° | 0.0° |
| H13 | C13 | C14 | H14 | 0.3° | 0.3° |
| H18 | C16 | H19 | H20 | 120.0° | 120.0° |
| H21 | C18 | C19 | H22 | 63.8° | 175.3° |
| H21 | C18 | C19 | H23 | 176.2° | 55.3° |
| H21 | C18 | C19 | H24 | 56.2° | 64.8° |
| H21 | C18 | C20 | H25 | 62.2° | 60.0° |
| H21 | C18 | C20 | H26 | 177.8° | 60.0° |
| H21 | C18 | C20 | H27 | 57.8° | 180.0° |
| H22 | C19 | H23 | H24 | 120.0° | 120.0° |
| H25 | C20 | H26 | H27 | 120.0° | 120.0° |
| H29 | C23 | H30 | H31 | 120.0° | 120.0° |
| H10 | C26 | H15 | H17 | 120.0° | 120.0° |
