QF7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.53Å | 1.48Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| C10 | C8 | sing | 1.53Å | 1.53Å | |
| C15 | C12 | sing | 1.51Å | 1.50Å | |
| C15 | F1 | sing | 1.40Å | 1.37Å | |
| O4 | C12 | doub | 1.21Å | 1.24Å | |
| C12 | N3 | sing | 1.35Å | 1.36Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C8 | C11 | sing | 1.53Å | 1.53Å | |
| N3 | C7 | sing | 1.46Å | 1.47Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | O3 | doub | 1.21Å | 1.23Å | |
| C6 | N2 | sing | 1.35Å | 1.35Å | |
| C3 | N2 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.55Å | 1.52Å | |
| N2 | C2 | sing | 1.47Å | 1.47Å | |
| O2 | C4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.55Å | 1.52Å | |
| C2 | C5 | sing | 1.54Å | 1.54Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C16 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C28 | sing | 1.51Å | 1.53Å | |
| C18 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | O5 | doub | 1.21Å | 1.24Å | |
| C28 | N5 | sing | 1.35Å | 1.34Å | |
| C22 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| N5 | C29 | sing | 1.46Å | 1.46Å | |
| C20 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C24 | sing | 1.48Å | 1.48Å | |
| C24 | S1 | sing | 1.76Å | 1.76Å | Aromatic |
| C24 | C25 | doub | 1.35Å | 1.38Å | Aromatic |
| S1 | C26 | sing | 1.71Å | 1.74Å | Aromatic |
| C25 | C27 | sing | 1.51Å | 1.50Å | |
| C25 | N4 | sing | 1.31Å | 1.38Å | Aromatic |
| C26 | N4 | doub | 1.29Å | 1.30Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C22 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| N5 | H37 | sing | 0.97Å | 1.00Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 60.4° | 60.0° |
| C14 | C13 | C15 | 60.6° | 60.0° |
| C14 | C13 | H20 | 119.9° | 117.5° |
| C14 | C13 | H21 | 119.9° | 117.4° |
| C13 | C14 | H22 | 119.9° | 117.5° |
| C13 | C14 | H23 | 119.9° | 117.5° |
| C14 | C15 | C13 | 58.9° | 60.0° |
| C14 | C15 | C12 | 119.1° | 117.5° |
| C14 | C15 | F1 | 121.2° | 117.5° |
| C15 | C14 | H22 | 119.9° | 117.5° |
| C15 | C14 | H23 | 119.9° | 117.5° |
| C13 | C15 | C12 | 119.8° | 117.5° |
| C13 | C15 | F1 | 119.4° | 117.5° |
| C15 | C13 | H20 | 119.9° | 117.5° |
| C15 | C13 | H21 | 119.9° | 117.5° |
| C10 | C8 | C9 | 108.9° | 109.5° |
| C10 | C8 | C7 | 109.2° | 109.5° |
| C10 | C8 | C11 | 107.1° | 109.5° |
| C8 | C10 | H14 | 109.5° | 109.4° |
| C8 | C10 | H15 | 109.5° | 109.4° |
| C8 | C10 | H16 | 109.4° | 109.5° |
| C12 | C15 | F1 | 110.2° | 115.5° |
| C15 | C12 | O4 | 120.2° | 120.0° |
| C15 | C12 | N3 | 114.1° | 120.0° |
| O4 | C12 | N3 | 125.8° | 120.0° |
| C12 | N3 | C7 | 129.7° | 120.0° |
| C12 | N3 | H10 | 115.1° | 120.0° |
| C9 | C8 | C7 | 110.0° | 109.4° |
| C9 | C8 | C11 | 108.3° | 109.5° |
| C8 | C9 | H11 | 109.5° | 109.5° |
| C8 | C9 | H12 | 109.5° | 109.4° |
| C8 | C9 | H13 | 109.5° | 109.5° |
| C7 | C8 | C11 | 113.2° | 109.4° |
| C8 | C7 | N3 | 112.3° | 109.5° |
| C8 | C7 | C6 | 113.0° | 109.5° |
| C8 | C7 | H9 | 107.3° | 109.5° |
| C8 | C11 | H17 | 109.5° | 109.4° |
| C8 | C11 | H18 | 109.5° | 109.5° |
| C8 | C11 | H19 | 109.5° | 109.5° |
| N3 | C7 | C6 | 108.3° | 109.5° |
| N3 | C7 | H9 | 108.3° | 109.5° |
| C7 | N3 | H10 | 115.2° | 120.0° |
| C7 | C6 | O3 | 120.4° | 120.0° |
| C7 | C6 | N2 | 119.4° | 120.0° |
| C6 | C7 | H9 | 107.5° | 109.5° |
| O3 | C6 | N2 | 120.1° | 120.0° |
| C6 | N2 | C3 | 127.2° | 125.7° |
| C6 | N2 | C2 | 119.9° | 125.7° |
| N2 | C3 | C4 | 102.9° | 104.8° |
| C3 | N2 | C2 | 112.8° | 108.7° |
| N2 | C3 | H3 | 111.1° | 110.4° |
| N2 | C3 | H4 | 111.1° | 110.4° |
| C3 | C4 | O2 | 108.8° | 111.0° |
| C3 | C4 | C5 | 103.8° | 101.6° |
| C4 | C3 | H3 | 111.1° | 110.4° |
| C4 | C3 | H4 | 111.1° | 110.3° |
| C3 | C4 | H5 | 110.6° | 111.0° |
| N2 | C2 | C5 | 102.8° | 107.3° |
| N2 | C2 | C1 | 113.7° | 109.8° |
| N2 | C2 | H2 | 110.1° | 110.0° |
| O2 | C4 | C5 | 110.5° | 111.0° |
| O2 | C4 | H5 | 112.2° | 110.9° |
| C4 | O2 | H8 | 109.5° | 114.0° |
| C4 | C5 | C2 | 105.6° | 103.0° |
| C5 | C4 | H5 | 110.6° | 111.0° |
| C4 | C5 | H6 | 110.4° | 110.7° |
| C4 | C5 | H7 | 110.4° | 110.7° |
| C5 | C2 | C1 | 111.4° | 109.9° |
| C5 | C2 | H2 | 109.3° | 109.9° |
| C2 | C5 | H6 | 110.4° | 110.7° |
| C2 | C5 | H7 | 110.4° | 110.7° |
| C2 | C1 | O1 | 120.9° | 120.0° |
| C2 | C1 | N1 | 116.1° | 119.9° |
| C1 | C2 | H2 | 109.3° | 109.9° |
| O1 | C1 | N1 | 122.9° | 120.1° |
| C1 | N1 | C16 | 123.1° | 119.9° |
| C1 | N1 | H1 | 118.4° | 120.0° |
| N1 | C16 | C17 | 109.1° | 109.4° |
| N1 | C16 | C18 | 112.1° | 109.5° |
| C16 | N1 | H1 | 118.4° | 120.0° |
| N1 | C16 | H24 | 109.6° | 109.5° |
| C17 | C16 | C18 | 108.8° | 109.5° |
| C16 | C17 | C28 | 117.2° | 109.5° |
| C17 | C16 | H24 | 108.4° | 109.4° |
| C16 | C17 | H25 | 107.5° | 109.5° |
| C16 | C17 | H26 | 107.5° | 109.4° |
| C16 | C18 | C23 | 120.9° | 119.9° |
| C16 | C18 | C19 | 120.1° | 119.9° |
| C18 | C16 | H24 | 108.8° | 109.5° |
| C17 | C28 | O5 | 121.0° | 120.0° |
| C17 | C28 | N5 | 117.7° | 120.0° |
| C28 | C17 | H25 | 107.5° | 109.5° |
| C28 | C17 | H26 | 107.5° | 109.5° |
| C23 | C18 | C19 | 118.6° | 120.2° |
| C18 | C23 | C22 | 120.6° | 120.2° |
| C18 | C23 | H30 | 119.7° | 119.9° |
| C18 | C19 | C20 | 120.7° | 120.2° |
| C18 | C19 | H27 | 119.6° | 119.9° |
| C23 | C22 | C21 | 120.9° | 119.9° |
| C23 | C22 | H29 | 119.6° | 120.1° |
| C22 | C23 | H30 | 119.7° | 119.9° |
| C19 | C20 | C21 | 121.0° | 119.9° |
| C20 | C19 | H27 | 119.6° | 119.9° |
| C19 | C20 | H28 | 119.5° | 120.1° |
| O5 | C28 | N5 | 121.3° | 120.0° |
| C28 | N5 | C29 | 124.1° | 120.0° |
| C28 | N5 | H37 | 117.9° | 120.0° |
| C22 | C21 | C20 | 118.0° | 119.7° |
| C22 | C21 | C24 | 121.7° | 120.2° |
| C21 | C22 | H29 | 119.5° | 120.0° |
| C29 | N5 | H37 | 117.9° | 120.0° |
| N5 | C29 | H38 | 109.5° | 109.5° |
| N5 | C29 | H39 | 109.4° | 109.5° |
| N5 | C29 | H40 | 109.5° | 109.5° |
| C20 | C21 | C24 | 120.2° | 120.1° |
| C21 | C20 | H28 | 119.5° | 120.1° |
| C21 | C24 | S1 | 123.9° | 126.1° |
| C21 | C24 | C25 | 126.6° | 126.1° |
| S1 | C24 | C25 | 109.5° | 107.8° |
| C24 | S1 | C26 | 86.9° | 90.4° |
| C24 | C25 | C27 | 125.4° | 122.9° |
| C24 | C25 | N4 | 115.4° | 114.3° |
| S1 | C26 | N4 | 117.0° | 110.4° |
| S1 | C26 | H31 | 121.5° | 124.9° |
| C27 | C25 | N4 | 119.1° | 122.9° |
| C25 | C27 | H32 | 109.5° | 109.5° |
| C25 | C27 | H33 | 109.5° | 109.5° |
| C25 | C27 | H34 | 109.5° | 109.4° |
| C25 | N4 | C26 | 109.2° | 117.2° |
| N4 | C26 | H31 | 121.5° | 124.8° |
| H3 | C3 | H4 | 109.5° | 110.4° |
| H6 | C5 | H7 | 109.5° | 110.8° |
| H11 | C9 | H12 | 109.4° | 109.5° |
| H11 | C9 | H13 | 109.5° | 109.4° |
| H12 | C9 | H13 | 109.5° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H14 | C10 | H16 | 109.5° | 109.6° |
| H15 | C10 | H16 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.4° | 109.5° |
| H20 | C13 | H21 | 109.5° | 115.6° |
| H22 | C14 | H23 | 109.5° | 115.6° |
| H25 | C17 | H26 | 109.5° | 109.5° |
| H38 | C29 | H39 | 109.5° | 109.4° |
| H38 | C29 | H40 | 109.5° | 109.5° |
| H39 | C29 | H40 | 109.5° | 109.5° |
| H32 | C27 | H33 | 109.5° | 109.5° |
| H32 | C27 | H34 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H22 | 109.6° | 107.5° |
| C13 | C14 | C15 | H23 | 109.6° | 107.5° |
| C14 | C13 | C15 | H20 | 109.6° | 107.5° |
| C14 | C13 | C15 | H21 | 109.6° | 107.4° |
| C13 | C14 | C15 | C12 | 109.2° | 107.5° |
| C13 | C14 | C15 | F1 | 107.8° | 107.5° |
| C14 | C13 | H20 | H21 | 144.3° | 145.6° |
| C13 | C14 | H22 | H23 | 144.5° | 145.7° |
| C14 | C15 | C12 | F1 | 146.7° | 145.6° |
| C14 | C15 | C12 | O4 | 69.5° | 58.7° |
| C14 | C15 | C12 | N3 | 110.1° | 121.4° |
| C15 | C14 | H22 | H23 | 144.5° | 145.7° |
| C13 | C15 | C12 | F1 | 144.5° | 145.8° |
| C13 | C15 | C12 | O4 | 0.7° | 9.9° |
| C13 | C15 | C12 | N3 | 178.9° | 170.0° |
| C15 | C13 | H20 | H21 | 144.4° | 145.8° |
| C10 | C8 | C9 | C7 | 119.6° | 120.0° |
| C10 | C8 | C9 | C11 | 116.2° | 120.0° |
| C10 | C8 | C7 | C11 | 119.3° | 120.0° |
| C10 | C8 | C7 | N3 | 64.8° | 64.9° |
| C10 | C8 | C7 | C6 | 172.4° | 175.1° |
| C10 | C8 | C7 | H9 | 54.1° | 55.1° |
| C10 | C8 | C9 | H11 | 180.0° | 55.1° |
| C10 | C8 | C9 | H12 | 60.0° | 64.9° |
| C10 | C8 | C9 | H13 | 60.0° | 175.1° |
| C8 | C10 | H14 | H15 | 120.0° | 119.9° |
| C8 | C10 | H14 | H16 | 120.0° | 120.1° |
| C8 | C10 | H15 | H16 | 120.0° | 120.0° |
| C10 | C8 | C11 | H17 | 180.0° | 60.0° |
| C10 | C8 | C11 | H18 | 60.0° | 60.0° |
| C10 | C8 | C11 | H19 | 60.0° | 180.0° |
| C15 | C12 | O4 | N3 | 179.5° | 179.9° |
| C15 | C12 | N3 | C7 | 170.2° | 180.0° |
| C15 | C12 | N3 | H10 | 9.8° | 0.1° |
| C12 | C15 | C13 | H20 | 142.3° | 145.1° |
| C12 | C15 | C13 | H21 | 1.6° | 0.0° |
| C12 | C15 | C14 | H22 | 0.5° | 0.1° |
| C12 | C15 | C14 | H23 | 141.3° | 145.0° |
| F1 | C15 | C12 | O4 | 143.7° | 155.7° |
| F1 | C15 | C12 | N3 | 36.7° | 24.2° |
| F1 | C15 | C13 | H20 | 1.1° | 0.0° |
| F1 | C15 | C13 | H21 | 139.7° | 145.1° |
| F1 | C15 | C14 | H22 | 142.6° | 145.0° |
| F1 | C15 | C14 | H23 | 1.8° | 0.1° |
| O4 | C12 | N3 | C7 | 9.4° | 0.0° |
| O4 | C12 | N3 | H10 | 170.6° | 180.0° |
| C12 | N3 | C7 | C8 | 115.7° | 85.0° |
| C12 | N3 | C7 | H10 | 180.0° | 180.0° |
| C12 | N3 | C7 | C6 | 118.9° | 155.0° |
| C12 | N3 | C7 | H9 | 2.5° | 35.0° |
| C9 | C8 | C7 | C11 | 121.3° | 120.0° |
| C9 | C8 | C7 | N3 | 54.7° | 175.1° |
| C9 | C8 | C7 | C6 | 68.2° | 55.1° |
| C9 | C8 | C7 | H9 | 173.6° | 64.9° |
| C8 | C9 | H11 | H12 | 120.0° | 120.0° |
| C8 | C9 | H11 | H13 | 120.0° | 120.1° |
| C8 | C9 | H12 | H13 | 120.0° | 120.0° |
| C9 | C8 | C10 | H14 | 180.0° | 60.0° |
| C9 | C8 | C10 | H15 | 60.0° | 180.0° |
| C9 | C8 | C10 | H16 | 60.0° | 60.1° |
| C9 | C8 | C11 | H17 | 62.6° | 60.0° |
| C9 | C8 | C11 | H18 | 177.4° | 180.0° |
| C9 | C8 | C11 | H19 | 57.4° | 60.0° |
| C8 | C7 | N3 | C6 | 125.4° | 120.0° |
| C8 | C7 | N3 | H9 | 118.3° | 120.0° |
| C8 | C7 | C6 | H9 | 118.1° | 120.0° |
| C8 | C7 | C6 | O3 | 84.9° | 80.4° |
| C8 | C7 | C6 | N2 | 98.1° | 99.6° |
| C8 | C7 | N3 | H10 | 64.3° | 95.0° |
| C7 | C8 | C9 | H11 | 60.4° | 64.9° |
| C7 | C8 | C9 | H12 | 179.6° | 175.1° |
| C7 | C8 | C9 | H13 | 59.6° | 55.1° |
| C7 | C8 | C10 | H14 | 59.9° | 60.0° |
| C7 | C8 | C10 | H15 | 60.1° | 60.0° |
| C7 | C8 | C10 | H16 | 179.9° | 179.9° |
| C7 | C8 | C11 | H17 | 59.6° | 180.0° |
| C7 | C8 | C11 | H18 | 60.4° | 60.0° |
| C7 | C8 | C11 | H19 | 179.6° | 60.0° |
| C11 | C8 | C7 | N3 | 176.0° | 55.2° |
| C11 | C8 | C7 | C6 | 53.1° | 64.8° |
| C11 | C8 | C7 | H9 | 65.1° | 175.2° |
| C11 | C8 | C9 | H11 | 63.8° | 175.1° |
| C11 | C8 | C9 | H12 | 56.2° | 55.1° |
| C11 | C8 | C9 | H13 | 176.2° | 64.8° |
| C11 | C8 | C10 | H14 | 63.0° | 180.0° |
| C11 | C8 | C10 | H15 | 177.0° | 60.0° |
| C11 | C8 | C10 | H16 | 57.0° | 59.9° |
| C8 | C11 | H17 | H18 | 120.0° | 120.0° |
| C8 | C11 | H17 | H19 | 120.0° | 120.0° |
| C8 | C11 | H18 | H19 | 120.0° | 120.0° |
| N3 | C7 | C6 | H9 | 116.9° | 120.0° |
| N3 | C7 | C6 | O3 | 40.1° | 39.6° |
| N3 | C7 | C6 | N2 | 136.9° | 140.4° |
| C7 | C6 | O3 | N2 | 177.0° | 180.0° |
| C7 | C6 | N2 | C3 | 0.9° | 4.3° |
| C7 | C6 | N2 | C2 | 178.7° | 175.7° |
| C6 | C7 | N3 | H10 | 61.1° | 25.0° |
| O3 | C6 | N2 | C3 | 176.2° | 175.7° |
| O3 | C6 | N2 | C2 | 1.7° | 4.3° |
| O3 | C6 | C7 | H9 | 157.0° | 159.6° |
| C6 | N2 | C3 | C2 | 178.0° | 180.0° |
| C6 | N2 | C3 | C4 | 159.0° | 155.9° |
| C6 | N2 | C2 | C5 | 179.9° | 179.0° |
| C6 | N2 | C2 | C1 | 59.4° | 59.6° |
| C6 | N2 | C2 | H2 | 63.7° | 61.5° |
| C6 | N2 | C3 | H3 | 40.0° | 85.3° |
| C6 | N2 | C3 | H4 | 82.1° | 37.1° |
| N2 | C6 | C7 | H9 | 20.1° | 20.4° |
| N2 | C3 | C4 | H3 | 118.9° | 118.8° |
| N2 | C3 | C4 | H4 | 118.9° | 118.9° |
| N2 | C3 | C4 | O2 | 85.6° | 155.1° |
| N2 | C3 | C4 | C5 | 32.1° | 37.0° |
| C3 | N2 | C2 | C5 | 1.9° | 1.1° |
| C3 | N2 | C2 | C1 | 122.5° | 120.5° |
| C3 | N2 | C2 | H2 | 114.4° | 118.4° |
| N2 | C3 | H3 | H4 | 123.0° | 122.3° |
| N2 | C3 | C4 | H5 | 150.8° | 81.1° |
| C4 | C3 | N2 | C2 | 19.0° | 24.1° |
| C3 | C4 | O2 | C5 | 113.4° | 112.2° |
| C3 | C4 | O2 | H5 | 122.7° | 123.9° |
| C3 | C4 | C5 | H5 | 118.7° | 118.1° |
| C3 | C4 | C5 | C2 | 34.4° | 35.5° |
| C4 | C3 | H3 | H4 | 123.1° | 122.3° |
| C3 | C4 | C5 | H6 | 153.7° | 153.9° |
| C3 | C4 | C5 | H7 | 85.0° | 82.9° |
| C3 | C4 | O2 | H8 | 180.0° | 61.4° |
| N2 | C2 | C5 | C4 | 22.4° | 22.2° |
| N2 | C2 | C5 | C1 | 122.1° | 119.4° |
| N2 | C2 | C5 | H2 | 117.0° | 119.6° |
| N2 | C2 | C1 | H2 | 123.5° | 121.2° |
| N2 | C2 | C1 | O1 | 32.2° | 0.7° |
| N2 | C2 | C1 | N1 | 150.4° | 179.3° |
| C2 | N2 | C3 | H3 | 138.0° | 94.7° |
| C2 | N2 | C3 | H4 | 100.0° | 143.0° |
| N2 | C2 | C5 | H6 | 141.8° | 140.6° |
| N2 | C2 | C5 | H7 | 96.9° | 96.2° |
| O2 | C4 | C5 | H5 | 124.8° | 123.8° |
| O2 | C4 | C5 | C2 | 82.2° | 153.6° |
| O2 | C4 | C3 | H3 | 33.4° | 36.3° |
| O2 | C4 | C3 | H4 | 155.5° | 86.1° |
| O2 | C4 | C5 | H6 | 37.2° | 88.0° |
| O2 | C4 | C5 | H7 | 158.5° | 35.2° |
| C4 | C5 | C2 | H6 | 119.4° | 118.4° |
| C4 | C5 | C2 | H7 | 119.4° | 118.4° |
| C4 | C5 | C2 | C1 | 144.6° | 97.2° |
| C4 | C5 | C2 | H2 | 94.6° | 141.8° |
| C5 | C4 | C3 | H3 | 151.0° | 81.8° |
| C5 | C4 | C3 | H4 | 86.9° | 155.9° |
| C4 | C5 | H6 | H7 | 121.8° | 123.2° |
| C5 | C4 | O2 | H8 | 66.6° | 173.6° |
| C5 | C2 | C1 | H2 | 120.9° | 121.0° |
| C5 | C2 | C1 | O1 | 83.4° | 118.5° |
| C5 | C2 | C1 | N1 | 94.0° | 61.5° |
| C2 | C5 | C4 | H5 | 153.0° | 82.6° |
| C2 | C5 | H6 | H7 | 121.8° | 123.2° |
| C2 | C1 | O1 | N1 | 177.2° | 180.0° |
| C2 | C1 | N1 | C16 | 170.0° | 175.0° |
| C2 | C1 | N1 | H1 | 10.0° | 4.7° |
| C1 | C2 | C5 | H6 | 96.1° | 21.2° |
| C1 | C2 | C5 | H7 | 25.2° | 144.5° |
| O1 | C1 | N1 | C16 | 7.3° | 5.0° |
| O1 | C1 | N1 | H1 | 172.7° | 175.3° |
| O1 | C1 | C2 | H2 | 155.8° | 120.4° |
| C1 | N1 | C16 | H1 | 180.0° | 179.7° |
| C1 | N1 | C16 | C17 | 143.6° | 152.1° |
| C1 | N1 | C16 | C18 | 95.8° | 88.0° |
| N1 | C1 | C2 | H2 | 26.8° | 59.5° |
| C1 | N1 | C16 | H24 | 25.0° | 32.1° |
| N1 | C16 | C17 | C18 | 122.6° | 120.0° |
| N1 | C16 | C17 | H24 | 119.3° | 120.0° |
| N1 | C16 | C18 | H24 | 121.3° | 120.1° |
| N1 | C16 | C17 | C28 | 94.8° | 65.4° |
| N1 | C16 | C18 | C23 | 12.2° | 140.0° |
| N1 | C16 | C18 | C19 | 174.4° | 39.7° |
| N1 | C16 | C17 | H25 | 144.1° | 54.6° |
| N1 | C16 | C17 | H26 | 26.4° | 174.6° |
| C17 | C16 | C18 | H24 | 117.9° | 120.0° |
| C16 | C17 | C28 | H25 | 121.1° | 120.0° |
| C16 | C17 | C28 | H26 | 121.1° | 120.0° |
| C17 | C16 | C18 | C23 | 108.6° | 100.0° |
| C17 | C16 | C18 | C19 | 64.8° | 80.2° |
| C16 | C17 | C28 | O5 | 37.6° | 4.5° |
| C16 | C17 | C28 | N5 | 142.2° | 175.5° |
| C17 | C16 | N1 | H1 | 36.4° | 27.6° |
| C16 | C17 | H25 | H26 | 116.5° | 120.0° |
| C18 | C16 | C17 | C28 | 27.8° | 174.6° |
| C16 | C18 | C23 | C19 | 173.5° | 179.7° |
| C16 | C18 | C23 | C22 | 174.2° | 179.7° |
| C16 | C18 | C19 | C20 | 173.5° | 180.0° |
| C18 | C16 | N1 | H1 | 84.2° | 92.3° |
| C18 | C16 | C17 | H25 | 93.3° | 65.4° |
| C18 | C16 | C17 | H26 | 148.9° | 54.6° |
| C16 | C18 | C19 | H27 | 6.5° | 0.0° |
| C16 | C18 | C23 | H30 | 5.8° | 0.0° |
| C17 | C28 | O5 | N5 | 179.8° | 180.0° |
| C17 | C28 | N5 | C29 | 174.1° | 180.0° |
| C28 | C17 | C16 | H24 | 146.0° | 54.5° |
| C28 | C17 | H25 | H26 | 116.5° | 120.0° |
| C17 | C28 | N5 | H37 | 5.9° | 0.0° |
| C18 | C23 | C22 | H30 | 180.0° | 179.7° |
| C23 | C18 | C19 | C20 | 0.0° | 0.2° |
| C18 | C23 | C22 | C21 | 0.8° | 0.5° |
| C23 | C18 | C16 | H24 | 133.5° | 20.0° |
| C23 | C18 | C19 | H27 | 180.0° | 179.8° |
| C18 | C23 | C22 | H29 | 179.2° | 179.7° |
| C19 | C18 | C23 | C22 | 0.7° | 0.5° |
| C18 | C19 | C20 | H27 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 2.3° | 0.1° |
| C19 | C18 | C16 | H24 | 53.1° | 159.7° |
| C18 | C19 | C20 | H28 | 177.7° | 180.0° |
| C19 | C18 | C23 | H30 | 179.3° | 179.7° |
| C23 | C22 | C21 | H29 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 3.0° | 0.2° |
| C23 | C22 | C21 | C24 | 179.4° | 179.7° |
| C19 | C20 | C21 | C22 | 3.8° | 0.1° |
| C19 | C20 | C21 | H28 | 180.0° | 179.9° |
| C19 | C20 | C21 | C24 | 179.8° | 180.0° |
| O5 | C28 | N5 | C29 | 6.1° | 0.0° |
| O5 | C28 | C17 | H25 | 158.7° | 115.6° |
| O5 | C28 | C17 | H26 | 83.5° | 124.4° |
| O5 | C28 | N5 | H37 | 173.9° | 180.0° |
| C28 | N5 | C29 | H37 | 180.0° | 180.0° |
| N5 | C28 | C17 | H25 | 21.1° | 64.5° |
| N5 | C28 | C17 | H26 | 96.7° | 55.5° |
| C28 | N5 | C29 | H38 | 180.0° | 60.0° |
| C28 | N5 | C29 | H39 | 60.0° | 59.9° |
| C28 | N5 | C29 | H40 | 60.0° | 180.0° |
| C22 | C21 | C20 | C24 | 176.4° | 180.0° |
| C22 | C21 | C24 | S1 | 39.5° | 132.2° |
| C22 | C21 | C24 | C25 | 138.3° | 47.5° |
| C22 | C21 | C20 | H28 | 176.2° | 180.0° |
| C21 | C22 | C23 | H30 | 179.1° | 179.7° |
| N5 | C29 | H38 | H39 | 120.0° | 120.0° |
| N5 | C29 | H38 | H40 | 120.0° | 120.0° |
| N5 | C29 | H39 | H40 | 120.0° | 120.1° |
| C20 | C21 | C24 | S1 | 144.2° | 47.8° |
| C20 | C21 | C24 | C25 | 37.9° | 132.4° |
| C21 | C20 | C19 | H27 | 177.7° | 179.9° |
| C20 | C21 | C22 | H29 | 177.0° | 180.0° |
| C21 | C24 | S1 | C25 | 178.2° | 179.8° |
| C21 | C24 | S1 | C26 | 171.0° | 180.0° |
| C21 | C24 | C25 | C27 | 7.1° | 0.0° |
| C21 | C24 | C25 | N4 | 174.5° | 180.0° |
| C24 | C21 | C20 | H28 | 0.2° | 0.0° |
| C24 | C21 | C22 | H29 | 0.6° | 0.0° |
| S1 | C24 | C25 | C27 | 171.0° | 179.7° |
| S1 | C24 | C25 | N4 | 7.3° | 0.2° |
| C24 | S1 | C26 | N4 | 13.5° | 0.3° |
| C24 | S1 | C26 | H31 | 166.5° | 179.9° |
| C25 | C24 | S1 | C26 | 10.8° | 0.3° |
| C24 | C25 | C27 | N4 | 178.3° | 179.9° |
| C24 | C25 | N4 | C26 | 2.4° | 0.0° |
| C24 | C25 | C27 | H32 | 178.3° | 94.0° |
| C24 | C25 | C27 | H33 | 61.7° | 145.9° |
| C24 | C25 | C27 | H34 | 58.3° | 25.9° |
| S1 | C26 | N4 | C25 | 11.7° | 0.3° |
| S1 | C26 | N4 | H31 | 180.0° | 179.8° |
| C27 | C25 | N4 | C26 | 179.2° | 180.0° |
| C25 | C27 | H32 | H33 | 120.0° | 120.0° |
| C25 | C27 | H32 | H34 | 120.0° | 120.0° |
| C25 | C27 | H33 | H34 | 120.0° | 120.0° |
| C25 | N4 | C26 | H31 | 168.3° | 180.0° |
| N4 | C25 | C27 | H32 | 0.0° | 85.9° |
| N4 | C25 | C27 | H33 | 120.0° | 34.2° |
| N4 | C25 | C27 | H34 | 120.0° | 154.1° |
| H1 | N1 | C16 | H24 | 155.0° | 147.6° |
| H2 | C2 | C5 | H6 | 24.8° | 99.9° |
| H2 | C2 | C5 | H7 | 146.1° | 23.4° |
| H3 | C3 | C4 | H5 | 90.3° | 160.1° |
| H4 | C3 | C4 | H5 | 31.8° | 37.8° |
| H5 | C4 | C5 | H6 | 87.6° | 35.8° |
| H5 | C4 | C5 | H7 | 33.7° | 159.1° |
| H5 | C4 | O2 | H8 | 57.3° | 62.5° |
| H9 | C7 | N3 | H10 | 177.5° | 145.0° |
| H11 | C9 | H12 | H13 | 120.0° | 119.9° |
| H14 | C10 | H15 | H16 | 120.0° | 120.1° |
| H17 | C11 | H18 | H19 | 120.0° | 120.0° |
| H20 | C13 | C14 | H22 | 140.8° | 145.0° |
| H20 | C13 | C14 | H23 | 0.1° | 0.0° |
| H21 | C13 | C14 | H22 | 0.1° | 0.0° |
| H21 | C13 | C14 | H23 | 140.7° | 145.0° |
| H24 | C16 | C17 | H25 | 24.9° | 174.5° |
| H24 | C16 | C17 | H26 | 92.9° | 65.5° |
| H27 | C19 | C20 | H28 | 2.3° | 0.0° |
| H29 | C22 | C23 | H30 | 0.8° | 0.0° |
| H37 | N5 | C29 | H38 | 0.0° | 120.0° |
| H37 | N5 | C29 | H39 | 120.0° | 120.0° |
| H37 | N5 | C29 | H40 | 120.0° | 0.0° |
| H38 | C29 | H39 | H40 | 120.0° | 120.0° |
| H32 | C27 | H33 | H34 | 120.0° | 120.0° |
