QF3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C11 | C9 | sing | 1.53Å | 1.52Å | |
| C13 | N3 | doub | 1.30Å | 1.30Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.43Å | Aromatic |
| N3 | O3 | sing | 1.21Å | 1.43Å | Aromatic |
| C12 | C8 | doub | 1.36Å | 1.34Å | Aromatic |
| O3 | C8 | sing | 1.34Å | 1.35Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C9 | C7 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | O2 | doub | 1.21Å | 1.22Å | |
| C6 | N1 | sing | 1.35Å | 1.36Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.55Å | 1.53Å | |
| N1 | C1 | sing | 1.47Å | 1.48Å | |
| O4 | C3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.55Å | 1.52Å | |
| C1 | C5 | sing | 1.51Å | 1.52Å | |
| C1 | C4 | sing | 1.54Å | 1.53Å | |
| O1 | C5 | doub | 1.21Å | 1.23Å | |
| C5 | N2 | sing | 1.35Å | 1.32Å | |
| N2 | C15 | sing | 1.46Å | 1.47Å | |
| C15 | C29 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C28 | O6 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| O6 | C27 | sing | 1.43Å | 1.43Å | |
| C26 | O5 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| O5 | C21 | sing | 1.36Å | 1.37Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C22 | sing | 1.48Å | 1.48Å | |
| C22 | S1 | sing | 1.76Å | 1.70Å | Aromatic |
| C22 | C23 | doub | 1.35Å | 1.37Å | Aromatic |
| S1 | C24 | sing | 1.71Å | 1.72Å | Aromatic |
| C23 | C25 | sing | 1.51Å | 1.50Å | |
| C23 | N4 | sing | 1.31Å | 1.38Å | Aromatic |
| C24 | N4 | doub | 1.29Å | 1.29Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| O4 | H17 | sing | 0.97Å | 0.95Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | N3 | 121.2° | 126.8° |
| C14 | C13 | C12 | 127.4° | 126.8° |
| C13 | C14 | H18 | 109.5° | 109.4° |
| C13 | C14 | H19 | 109.4° | 109.5° |
| C13 | C14 | H20 | 109.5° | 109.4° |
| C11 | C9 | C7 | 112.6° | 109.4° |
| C11 | C9 | C10 | 109.6° | 109.5° |
| C11 | C9 | H9 | 107.9° | 109.5° |
| C9 | C11 | H13 | 109.5° | 109.5° |
| C9 | C11 | H14 | 109.5° | 109.4° |
| C9 | C11 | H15 | 109.5° | 109.5° |
| N3 | C13 | C12 | 111.3° | 106.4° |
| C13 | N3 | O3 | 105.1° | 111.6° |
| C13 | C12 | C8 | 105.6° | 104.0° |
| C13 | C12 | H16 | 127.2° | 128.0° |
| N3 | O3 | C8 | 109.0° | 111.6° |
| C12 | C8 | O3 | 109.0° | 106.4° |
| C12 | C8 | C7 | 132.6° | 126.8° |
| C8 | C12 | H16 | 127.2° | 128.0° |
| O3 | C8 | C7 | 118.3° | 126.8° |
| C8 | C7 | C9 | 113.7° | 109.5° |
| C8 | C7 | C6 | 104.0° | 109.5° |
| C8 | C7 | H8 | 109.7° | 109.4° |
| C7 | C9 | C10 | 111.0° | 109.5° |
| C9 | C7 | C6 | 110.8° | 109.5° |
| C9 | C7 | H8 | 109.1° | 109.5° |
| C7 | C9 | H9 | 107.7° | 109.5° |
| C10 | C9 | H9 | 107.9° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H11 | 109.5° | 109.5° |
| C9 | C10 | H12 | 109.5° | 109.4° |
| C7 | C6 | O2 | 119.1° | 119.9° |
| C7 | C6 | N1 | 120.8° | 120.0° |
| C6 | C7 | H8 | 109.3° | 109.4° |
| O2 | C6 | N1 | 120.1° | 120.0° |
| C6 | N1 | C2 | 126.9° | 125.6° |
| C6 | N1 | C1 | 121.2° | 125.6° |
| N1 | C2 | C3 | 102.6° | 104.8° |
| C2 | N1 | C1 | 111.9° | 108.8° |
| N1 | C2 | H2 | 111.2° | 110.4° |
| N1 | C2 | H3 | 111.2° | 110.4° |
| C2 | C3 | O4 | 111.6° | 111.0° |
| C2 | C3 | C4 | 102.7° | 101.5° |
| C3 | C2 | H2 | 111.1° | 110.4° |
| C3 | C2 | H3 | 111.2° | 110.3° |
| C2 | C3 | H4 | 110.6° | 111.1° |
| N1 | C1 | C5 | 113.4° | 109.9° |
| N1 | C1 | C4 | 102.9° | 107.2° |
| N1 | C1 | H1 | 110.7° | 110.0° |
| O4 | C3 | C4 | 108.8° | 111.0° |
| O4 | C3 | H4 | 112.1° | 111.0° |
| C3 | O4 | H17 | 109.5° | 113.9° |
| C3 | C4 | C1 | 103.8° | 103.0° |
| C4 | C3 | H4 | 110.6° | 111.0° |
| C3 | C4 | H5 | 110.9° | 110.7° |
| C3 | C4 | H6 | 110.9° | 110.7° |
| C5 | C1 | C4 | 109.4° | 109.9° |
| C1 | C5 | O1 | 122.2° | 120.0° |
| C1 | C5 | N2 | 115.0° | 120.0° |
| C5 | C1 | H1 | 110.2° | 109.9° |
| C4 | C1 | H1 | 110.0° | 109.9° |
| C1 | C4 | H5 | 110.9° | 110.7° |
| C1 | C4 | H6 | 110.9° | 110.7° |
| O1 | C5 | N2 | 122.7° | 120.0° |
| C5 | N2 | C15 | 121.6° | 120.0° |
| C5 | N2 | H7 | 119.2° | 119.9° |
| N2 | C15 | C29 | 109.2° | 109.5° |
| N2 | C15 | C16 | 112.6° | 109.5° |
| C15 | N2 | H7 | 119.2° | 120.0° |
| N2 | C15 | H21 | 107.9° | 109.5° |
| C29 | C15 | C16 | 112.2° | 109.5° |
| C29 | C15 | H21 | 107.3° | 109.4° |
| C15 | C29 | H36 | 109.5° | 109.5° |
| C15 | C29 | H37 | 109.4° | 109.5° |
| C15 | C29 | H38 | 109.5° | 109.5° |
| C15 | C16 | C17 | 121.7° | 119.8° |
| C15 | C16 | C21 | 120.0° | 119.9° |
| C16 | C15 | H21 | 107.3° | 109.5° |
| C28 | O6 | C27 | 114.1° | 114.0° |
| O6 | C28 | H33 | 109.5° | 109.5° |
| O6 | C28 | H34 | 109.4° | 109.4° |
| O6 | C28 | H35 | 109.5° | 109.5° |
| C17 | C16 | C21 | 118.2° | 120.3° |
| C16 | C17 | C18 | 120.8° | 120.2° |
| C16 | C17 | H22 | 119.6° | 119.9° |
| C16 | C21 | O5 | 119.9° | 120.0° |
| C16 | C21 | C20 | 121.0° | 120.0° |
| O6 | C27 | C26 | 111.4° | 109.4° |
| O6 | C27 | H31 | 109.0° | 109.5° |
| O6 | C27 | H32 | 109.0° | 109.4° |
| O5 | C26 | C27 | 107.8° | 109.5° |
| C26 | O5 | C21 | 118.9° | 117.0° |
| O5 | C26 | H29 | 109.9° | 109.5° |
| O5 | C26 | H30 | 109.9° | 109.4° |
| C27 | C26 | H29 | 109.9° | 109.5° |
| C27 | C26 | H30 | 109.9° | 109.4° |
| C26 | C27 | H31 | 109.0° | 109.5° |
| C26 | C27 | H32 | 109.0° | 109.4° |
| O5 | C21 | C20 | 119.1° | 120.0° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C18 | C17 | H22 | 119.6° | 119.9° |
| C17 | C18 | H23 | 119.8° | 120.0° |
| C21 | C20 | C19 | 120.6° | 119.8° |
| C21 | C20 | H24 | 119.7° | 120.1° |
| C18 | C19 | C20 | 119.1° | 119.8° |
| C18 | C19 | C22 | 122.9° | 120.2° |
| C19 | C18 | H23 | 119.9° | 120.0° |
| C20 | C19 | C22 | 118.0° | 120.1° |
| C19 | C20 | H24 | 119.7° | 120.1° |
| C19 | C22 | S1 | 123.0° | 126.1° |
| C19 | C22 | C23 | 127.7° | 126.0° |
| S1 | C22 | C23 | 109.2° | 107.8° |
| C22 | S1 | C24 | 89.4° | 90.3° |
| C22 | C23 | C25 | 125.3° | 122.9° |
| C22 | C23 | N4 | 115.9° | 114.2° |
| S1 | C24 | N4 | 116.0° | 110.3° |
| S1 | C24 | H25 | 122.0° | 124.8° |
| C25 | C23 | N4 | 118.8° | 122.9° |
| C23 | C25 | H26 | 109.5° | 109.5° |
| C23 | C25 | H27 | 109.4° | 109.5° |
| C23 | C25 | H28 | 109.5° | 109.5° |
| C23 | N4 | C24 | 109.2° | 117.3° |
| N4 | C24 | H25 | 122.0° | 124.9° |
| H2 | C2 | H3 | 109.5° | 110.4° |
| H5 | C4 | H6 | 109.5° | 110.8° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H12 | 109.5° | 109.4° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H13 | C11 | H15 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.4° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.4° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.4° |
| H26 | C25 | H28 | 109.4° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.4° |
| H29 | C26 | H30 | 109.5° | 109.5° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.4° |
| H33 | C28 | H35 | 109.5° | 109.5° |
| H34 | C28 | H35 | 109.5° | 109.4° |
| H36 | C29 | H37 | 109.5° | 109.4° |
| H36 | C29 | H38 | 109.5° | 109.5° |
| H37 | C29 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | N3 | C12 | 179.5° | 179.8° |
| C14 | C13 | N3 | O3 | 178.1° | 180.0° |
| C14 | C13 | C12 | C8 | 178.9° | 179.7° |
| C14 | C13 | C12 | H16 | 1.1° | 0.2° |
| C13 | C14 | H18 | H19 | 120.0° | 120.0° |
| C13 | C14 | H18 | H20 | 120.0° | 120.0° |
| C13 | C14 | H19 | H20 | 120.0° | 120.0° |
| C11 | C9 | C7 | C8 | 50.7° | 63.1° |
| C11 | C9 | C7 | C10 | 123.3° | 120.0° |
| C11 | C9 | C7 | H9 | 118.8° | 120.0° |
| C11 | C9 | C10 | H9 | 117.2° | 120.0° |
| C11 | C9 | C7 | C6 | 167.5° | 176.9° |
| C11 | C9 | C7 | H8 | 72.1° | 56.9° |
| C11 | C9 | C10 | H10 | 180.0° | 55.5° |
| C11 | C9 | C10 | H11 | 60.0° | 64.6° |
| C11 | C9 | C10 | H12 | 60.0° | 175.5° |
| C9 | C11 | H13 | H14 | 120.0° | 120.0° |
| C9 | C11 | H13 | H15 | 120.0° | 120.0° |
| C9 | C11 | H14 | H15 | 120.0° | 120.0° |
| N3 | C13 | C12 | C8 | 0.5° | 0.1° |
| C13 | N3 | O3 | C8 | 1.7° | 0.4° |
| N3 | C13 | C12 | H16 | 179.4° | 180.0° |
| N3 | C13 | C14 | H18 | 0.0° | 90.0° |
| N3 | C13 | C14 | H19 | 120.0° | 150.0° |
| N3 | C13 | C14 | H20 | 120.0° | 30.0° |
| C12 | C13 | N3 | O3 | 1.4° | 0.2° |
| C13 | C12 | C8 | H16 | 180.0° | 179.9° |
| C13 | C12 | C8 | O3 | 0.6° | 0.3° |
| C13 | C12 | C8 | C7 | 176.8° | 180.0° |
| C12 | C13 | C14 | H18 | 179.4° | 89.7° |
| C12 | C13 | C14 | H19 | 59.4° | 30.3° |
| C12 | C13 | C14 | H20 | 60.6° | 150.3° |
| N3 | O3 | C8 | C12 | 1.4° | 0.4° |
| N3 | O3 | C8 | C7 | 178.3° | 179.9° |
| C12 | C8 | O3 | C7 | 176.8° | 179.7° |
| C12 | C8 | C7 | C9 | 47.1° | 120.0° |
| C12 | C8 | C7 | C6 | 73.5° | 119.9° |
| C12 | C8 | C7 | H8 | 169.6° | 0.0° |
| O3 | C8 | C7 | C9 | 137.0° | 60.3° |
| O3 | C8 | C7 | C6 | 102.4° | 59.7° |
| O3 | C8 | C7 | H8 | 14.4° | 179.7° |
| O3 | C8 | C12 | H16 | 179.4° | 179.8° |
| C8 | C7 | C9 | C6 | 116.8° | 120.0° |
| C8 | C7 | C9 | H8 | 122.8° | 120.0° |
| C8 | C7 | C9 | C10 | 174.0° | 176.9° |
| C8 | C7 | C6 | H8 | 117.1° | 119.9° |
| C8 | C7 | C6 | O2 | 63.7° | 85.0° |
| C8 | C7 | C6 | N1 | 114.2° | 95.0° |
| C8 | C7 | C9 | H9 | 68.1° | 56.9° |
| C7 | C8 | C12 | H16 | 3.2° | 0.1° |
| C7 | C9 | C10 | H9 | 117.8° | 120.0° |
| C9 | C7 | C6 | H8 | 120.3° | 120.1° |
| C9 | C7 | C6 | O2 | 58.9° | 35.0° |
| C9 | C7 | C6 | N1 | 123.2° | 145.0° |
| C7 | C9 | C10 | H10 | 55.0° | 64.5° |
| C7 | C9 | C10 | H11 | 65.0° | 175.5° |
| C7 | C9 | C10 | H12 | 175.0° | 55.5° |
| C7 | C9 | C11 | H13 | 180.0° | 60.0° |
| C7 | C9 | C11 | H14 | 60.0° | 179.9° |
| C7 | C9 | C11 | H15 | 60.0° | 60.0° |
| C10 | C9 | C7 | C6 | 69.2° | 56.9° |
| C10 | C9 | C7 | H8 | 51.2° | 63.1° |
| C9 | C10 | H10 | H11 | 120.0° | 120.1° |
| C9 | C10 | H10 | H12 | 120.0° | 120.0° |
| C9 | C10 | H11 | H12 | 120.0° | 120.0° |
| C10 | C9 | C11 | H13 | 55.9° | 180.0° |
| C10 | C9 | C11 | H14 | 64.1° | 60.0° |
| C10 | C9 | C11 | H15 | 175.9° | 59.9° |
| C7 | C6 | O2 | N1 | 178.0° | 180.0° |
| C7 | C6 | N1 | C2 | 9.0° | 4.6° |
| C7 | C6 | N1 | C1 | 173.1° | 175.4° |
| C6 | C7 | C9 | H9 | 48.7° | 63.2° |
| O2 | C6 | N1 | C2 | 168.9° | 175.4° |
| O2 | C6 | N1 | C1 | 9.0° | 4.6° |
| O2 | C6 | C7 | H8 | 179.2° | 155.0° |
| C6 | N1 | C2 | C1 | 178.1° | 180.0° |
| C6 | N1 | C2 | C3 | 160.6° | 155.9° |
| C6 | N1 | C1 | C5 | 56.5° | 59.6° |
| C6 | N1 | C1 | C4 | 174.5° | 179.0° |
| C6 | N1 | C1 | H1 | 68.0° | 61.6° |
| C6 | N1 | C2 | H2 | 41.8° | 85.3° |
| C6 | N1 | C2 | H3 | 80.5° | 37.1° |
| N1 | C6 | C7 | H8 | 2.9° | 24.9° |
| N1 | C2 | C3 | H2 | 118.9° | 118.9° |
| N1 | C2 | C3 | H3 | 118.9° | 118.8° |
| N1 | C2 | C3 | O4 | 81.3° | 155.0° |
| N1 | C2 | C3 | C4 | 35.1° | 37.0° |
| C2 | N1 | C1 | C5 | 125.3° | 120.4° |
| C2 | N1 | C1 | C4 | 7.3° | 1.1° |
| C2 | N1 | C1 | H1 | 110.2° | 118.4° |
| N1 | C2 | H2 | H3 | 123.2° | 122.4° |
| N1 | C2 | C3 | H4 | 153.1° | 81.0° |
| C3 | C2 | N1 | C1 | 17.4° | 24.2° |
| C2 | C3 | O4 | C4 | 112.6° | 112.1° |
| C2 | C3 | O4 | H4 | 124.7° | 124.0° |
| C2 | C3 | C4 | H4 | 118.0° | 118.1° |
| C2 | C3 | C4 | C1 | 40.4° | 35.5° |
| C3 | C2 | H2 | H3 | 123.2° | 122.2° |
| C2 | C3 | C4 | H5 | 159.5° | 153.9° |
| C2 | C3 | C4 | H6 | 78.7° | 82.8° |
| C2 | C3 | O4 | H17 | 180.0° | 61.5° |
| N1 | C1 | C4 | C3 | 29.3° | 22.2° |
| N1 | C1 | C5 | C4 | 114.2° | 117.8° |
| N1 | C1 | C5 | H1 | 124.7° | 121.2° |
| N1 | C1 | C4 | H1 | 118.0° | 119.6° |
| N1 | C1 | C5 | O1 | 39.2° | 0.8° |
| N1 | C1 | C5 | N2 | 144.4° | 179.2° |
| C1 | N1 | C2 | H2 | 136.3° | 94.7° |
| C1 | N1 | C2 | H3 | 101.4° | 142.9° |
| N1 | C1 | C4 | H5 | 148.4° | 140.6° |
| N1 | C1 | C4 | H6 | 89.7° | 96.2° |
| O4 | C3 | C4 | H4 | 123.6° | 123.9° |
| O4 | C3 | C4 | C1 | 78.0° | 153.6° |
| O4 | C3 | C2 | H2 | 37.6° | 36.1° |
| O4 | C3 | C2 | H3 | 159.8° | 86.1° |
| O4 | C3 | C4 | H5 | 41.1° | 88.1° |
| O4 | C3 | C4 | H6 | 162.9° | 35.2° |
| C3 | C4 | C1 | C5 | 150.1° | 97.2° |
| C3 | C4 | C1 | H5 | 119.1° | 118.4° |
| C3 | C4 | C1 | H6 | 119.1° | 118.4° |
| C3 | C4 | C1 | H1 | 88.7° | 141.8° |
| C4 | C3 | C2 | H2 | 154.0° | 81.9° |
| C4 | C3 | C2 | H3 | 83.8° | 155.8° |
| C3 | C4 | H5 | H6 | 122.7° | 123.2° |
| C4 | C3 | O4 | H17 | 67.4° | 173.6° |
| C5 | C1 | C4 | H1 | 121.2° | 121.0° |
| C1 | C5 | O1 | N2 | 176.2° | 179.9° |
| C1 | C5 | N2 | C15 | 165.3° | 180.0° |
| C5 | C1 | C4 | H5 | 90.8° | 21.2° |
| C5 | C1 | C4 | H6 | 31.0° | 144.4° |
| C1 | C5 | N2 | H7 | 14.7° | 0.0° |
| C4 | C1 | C5 | O1 | 75.0° | 118.6° |
| C4 | C1 | C5 | N2 | 101.4° | 61.5° |
| C1 | C4 | C3 | H4 | 158.4° | 82.6° |
| C1 | C4 | H5 | H6 | 122.6° | 123.2° |
| O1 | C5 | N2 | C15 | 11.1° | 0.0° |
| O1 | C5 | C1 | H1 | 163.9° | 120.4° |
| O1 | C5 | N2 | H7 | 168.9° | 180.0° |
| C5 | N2 | C15 | H7 | 180.0° | 180.0° |
| C5 | N2 | C15 | C29 | 150.2° | 90.0° |
| C5 | N2 | C15 | C16 | 84.4° | 149.9° |
| N2 | C5 | C1 | H1 | 19.6° | 59.5° |
| C5 | N2 | C15 | H21 | 33.9° | 29.9° |
| N2 | C15 | C29 | C16 | 125.6° | 120.1° |
| N2 | C15 | C29 | H21 | 116.8° | 120.0° |
| N2 | C15 | C16 | H21 | 118.6° | 120.0° |
| N2 | C15 | C16 | C17 | 15.1° | 27.5° |
| N2 | C15 | C16 | C21 | 164.3° | 152.2° |
| N2 | C15 | C29 | H36 | 180.0° | 59.9° |
| N2 | C15 | C29 | H37 | 60.0° | 60.0° |
| N2 | C15 | C29 | H38 | 60.0° | 180.0° |
| C29 | C15 | C16 | H21 | 117.7° | 119.9° |
| C29 | C15 | C16 | C17 | 108.6° | 92.6° |
| C29 | C15 | C16 | C21 | 72.0° | 87.7° |
| C29 | C15 | N2 | H7 | 29.8° | 90.0° |
| C15 | C29 | H36 | H37 | 120.0° | 120.0° |
| C15 | C29 | H36 | H38 | 120.0° | 120.1° |
| C15 | C29 | H37 | H38 | 120.0° | 120.1° |
| C15 | C16 | C17 | C21 | 179.4° | 179.7° |
| C15 | C16 | C21 | O5 | 1.6° | 0.0° |
| C15 | C16 | C17 | C18 | 179.7° | 180.0° |
| C15 | C16 | C21 | C20 | 179.4° | 179.8° |
| C16 | C15 | N2 | H7 | 95.6° | 30.1° |
| C15 | C16 | C17 | H22 | 0.3° | 0.1° |
| C16 | C15 | C29 | H36 | 54.4° | 180.0° |
| C16 | C15 | C29 | H37 | 174.4° | 60.1° |
| C16 | C15 | C29 | H38 | 65.6° | 60.0° |
| C28 | O6 | C27 | C26 | 150.1° | 180.0° |
| C28 | O6 | C27 | H31 | 29.9° | 59.9° |
| C28 | O6 | C27 | H32 | 89.6° | 60.1° |
| O6 | C28 | H33 | H34 | 120.0° | 119.9° |
| O6 | C28 | H33 | H35 | 120.0° | 120.1° |
| O6 | C28 | H34 | H35 | 120.0° | 120.0° |
| C17 | C16 | C21 | O5 | 179.0° | 179.7° |
| C16 | C17 | C18 | H22 | 180.0° | 180.0° |
| C17 | C16 | C21 | C20 | 1.1° | 0.5° |
| C16 | C17 | C18 | C19 | 0.7° | 0.0° |
| C17 | C16 | C15 | H21 | 133.7° | 147.5° |
| C16 | C17 | C18 | H23 | 179.3° | 180.0° |
| C16 | C21 | O5 | C26 | 128.1° | 180.0° |
| C16 | C21 | O5 | C20 | 177.9° | 179.8° |
| C21 | C16 | C17 | C18 | 0.8° | 0.3° |
| C16 | C21 | C20 | C19 | 1.3° | 0.4° |
| C21 | C16 | C15 | H21 | 45.7° | 32.2° |
| C21 | C16 | C17 | H22 | 179.2° | 179.8° |
| C16 | C21 | C20 | H24 | 178.7° | 179.7° |
| O6 | C27 | C26 | O5 | 29.8° | 65.0° |
| O6 | C27 | C26 | H31 | 120.3° | 120.1° |
| O6 | C27 | C26 | H32 | 120.3° | 119.9° |
| O6 | C27 | C26 | H29 | 149.5° | 55.1° |
| O6 | C27 | C26 | H30 | 89.9° | 175.1° |
| O6 | C27 | H31 | H32 | 119.2° | 120.0° |
| C27 | O6 | C28 | H33 | 180.0° | 59.9° |
| C27 | O6 | C28 | H34 | 60.0° | 60.1° |
| C27 | O6 | C28 | H35 | 60.0° | 180.0° |
| O5 | C26 | C27 | H29 | 119.7° | 120.1° |
| O5 | C26 | C27 | H30 | 119.7° | 119.9° |
| C26 | O5 | C21 | C20 | 54.0° | 0.2° |
| O5 | C26 | H29 | H30 | 120.7° | 120.0° |
| O5 | C26 | C27 | H31 | 150.1° | 175.0° |
| O5 | C26 | C27 | H32 | 90.5° | 54.9° |
| C27 | C26 | O5 | C21 | 151.4° | 180.0° |
| C27 | C26 | H29 | H30 | 120.8° | 120.0° |
| C26 | C27 | H31 | H32 | 119.1° | 120.0° |
| O5 | C21 | C20 | C19 | 179.2° | 179.7° |
| O5 | C21 | C20 | H24 | 0.8° | 0.1° |
| C21 | O5 | C26 | H29 | 31.7° | 59.9° |
| C21 | O5 | C26 | H30 | 88.8° | 60.1° |
| C17 | C18 | C19 | H23 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.9° | 0.0° |
| C17 | C18 | C19 | C22 | 178.9° | 180.0° |
| C21 | C20 | C19 | C18 | 1.2° | 0.2° |
| C21 | C20 | C19 | H24 | 180.0° | 179.8° |
| C21 | C20 | C19 | C22 | 179.3° | 179.8° |
| C18 | C19 | C20 | C22 | 178.1° | 180.0° |
| C18 | C19 | C22 | S1 | 53.1° | 134.6° |
| C18 | C19 | C22 | C23 | 130.1° | 45.0° |
| C19 | C18 | C17 | H22 | 179.3° | 179.9° |
| C18 | C19 | C20 | H24 | 178.8° | 180.0° |
| C20 | C19 | C22 | S1 | 128.8° | 45.3° |
| C20 | C19 | C22 | C23 | 47.9° | 135.0° |
| C20 | C19 | C18 | H23 | 179.1° | 180.0° |
| C19 | C22 | S1 | C23 | 177.2° | 179.7° |
| C19 | C22 | S1 | C24 | 176.4° | 179.9° |
| C19 | C22 | C23 | C25 | 0.5° | 0.0° |
| C19 | C22 | C23 | N4 | 179.8° | 180.0° |
| C22 | C19 | C18 | H23 | 1.1° | 0.0° |
| C22 | C19 | C20 | H24 | 0.7° | 0.0° |
| S1 | C22 | C23 | C25 | 176.6° | 179.7° |
| S1 | C22 | C23 | N4 | 2.7° | 0.3° |
| C22 | S1 | C24 | N4 | 4.4° | 0.4° |
| C22 | S1 | C24 | H25 | 175.6° | 179.9° |
| C23 | C22 | S1 | C24 | 0.8° | 0.4° |
| C22 | C23 | C25 | N4 | 179.3° | 180.0° |
| C22 | C23 | N4 | C24 | 5.9° | 0.1° |
| C22 | C23 | C25 | H26 | 179.3° | 94.5° |
| C22 | C23 | C25 | H27 | 59.2° | 145.6° |
| C22 | C23 | C25 | H28 | 60.7° | 25.6° |
| S1 | C24 | N4 | C23 | 6.5° | 0.3° |
| S1 | C24 | N4 | H25 | 180.0° | 179.7° |
| C25 | C23 | N4 | C24 | 173.4° | 180.0° |
| C23 | C25 | H26 | H27 | 120.0° | 120.0° |
| C23 | C25 | H26 | H28 | 120.0° | 120.1° |
| C23 | C25 | H27 | H28 | 120.0° | 120.0° |
| C23 | N4 | C24 | H25 | 173.5° | 180.0° |
| N4 | C23 | C25 | H26 | 0.0° | 85.5° |
| N4 | C23 | C25 | H27 | 120.0° | 34.5° |
| N4 | C23 | C25 | H28 | 120.0° | 154.4° |
| H1 | C1 | C4 | H5 | 30.4° | 99.9° |
| H1 | C1 | C4 | H6 | 152.2° | 23.4° |
| H2 | C2 | C3 | H4 | 88.0° | 160.1° |
| H3 | C2 | C3 | H4 | 34.3° | 37.8° |
| H4 | C3 | C4 | H5 | 82.5° | 35.8° |
| H4 | C3 | C4 | H6 | 39.3° | 159.1° |
| H4 | C3 | O4 | H17 | 55.3° | 62.5° |
| H7 | N2 | C15 | H21 | 146.1° | 150.1° |
| H8 | C7 | C9 | H9 | 169.1° | 176.8° |
| H9 | C9 | C10 | H10 | 62.8° | 175.5° |
| H9 | C9 | C10 | H11 | 177.2° | 55.5° |
| H9 | C9 | C10 | H12 | 57.2° | 64.5° |
| H9 | C9 | C11 | H13 | 61.3° | 60.0° |
| H9 | C9 | C11 | H14 | 178.7° | 60.1° |
| H9 | C9 | C11 | H15 | 58.7° | 180.0° |
| H10 | C10 | H11 | H12 | 120.0° | 120.0° |
| H13 | C11 | H14 | H15 | 120.0° | 120.0° |
| H18 | C14 | H19 | H20 | 120.0° | 120.0° |
| H21 | C15 | C29 | H36 | 63.3° | 60.0° |
| H21 | C15 | C29 | H37 | 56.8° | 180.0° |
| H21 | C15 | C29 | H38 | 176.7° | 60.0° |
| H22 | C17 | C18 | H23 | 0.7° | 0.0° |
| H26 | C25 | H27 | H28 | 120.0° | 120.0° |
| H29 | C26 | C27 | H31 | 90.2° | 65.0° |
| H29 | C26 | C27 | H32 | 29.2° | 175.0° |
| H30 | C26 | C27 | H31 | 30.3° | 55.0° |
| H30 | C26 | C27 | H32 | 149.8° | 65.0° |
| H33 | C28 | H34 | H35 | 120.0° | 120.0° |
| H36 | C29 | H37 | H38 | 120.0° | 120.0° |
