UQF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.37Å | 1.42Å | |
| N1 | C | doub | 1.30Å | 1.34Å | |
| C | N2 | sing | 1.37Å | 1.44Å | |
| N2 | C1 | sing | 1.46Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | N3 | sing | 1.47Å | 1.47Å | |
| C4 | N3 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | trip | 1.17Å | 1.19Å | |
| C7 | C6 | sing | 1.43Å | 1.41Å | |
| C7 | N4 | doub | 1.31Å | 1.31Å | Aromatic |
| N4 | C8 | sing | 1.35Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.41Å | 1.39Å | Aromatic |
| N5 | C9 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| N6 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | N6 | doub | 1.33Å | 1.35Å | Aromatic |
| C8 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| N7 | C11 | sing | 1.38Å | 1.33Å | |
| C9 | N8 | sing | 1.37Å | 1.38Å | Aromatic |
| N8 | C7 | sing | 1.37Å | 1.40Å | Aromatic |
| C12 | N8 | sing | 1.46Å | 1.45Å | |
| C12 | O | sing | 1.44Å | 1.42Å | |
| O | C13 | sing | 1.44Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| O1 | C14 | sing | 1.43Å | 1.42Å | |
| C13 | C15 | sing | 1.54Å | 1.54Å | |
| O2 | C15 | sing | 1.43Å | 1.41Å | |
| C15 | C16 | sing | 1.55Å | 1.53Å | |
| C16 | C12 | sing | 1.54Å | 1.52Å | |
| O3 | C16 | sing | 1.43Å | 1.42Å | |
| N3 | C17 | sing | 1.47Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | O4 | sing | 1.44Å | 1.44Å | |
| O4 | C19 | sing | 1.44Å | 1.41Å | |
| C19 | C20 | sing | 1.55Å | 1.53Å | |
| O5 | C20 | sing | 1.43Å | 1.42Å | |
| C20 | C21 | sing | 1.55Å | 1.54Å | |
| C18 | C21 | sing | 1.54Å | 1.53Å | |
| C21 | O6 | sing | 1.43Å | 1.43Å | |
| N9 | C19 | sing | 1.46Å | 1.46Å | |
| N9 | C22 | sing | 1.36Å | 1.37Å | Aromatic |
| C22 | N10 | doub | 1.30Å | 1.31Å | Aromatic |
| N10 | C23 | sing | 1.35Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| N11 | C24 | sing | 1.33Å | 1.33Å | Aromatic |
| C25 | N11 | doub | 1.32Å | 1.33Å | Aromatic |
| N12 | C25 | sing | 1.32Å | 1.33Å | Aromatic |
| C26 | N12 | doub | 1.33Å | 1.35Å | Aromatic |
| C23 | C26 | sing | 1.41Å | 1.41Å | Aromatic |
| N13 | C26 | sing | 1.38Å | 1.35Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| O1 | H21 | sing | 0.97Å | 0.95Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| O5 | H29 | sing | 0.97Å | 0.95Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | H25 | sing | 0.97Å | 0.95Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H | sing | 1.09Å | 1.10Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.08Å | 1.08Å | |
| C25 | H33 | sing | 1.08Å | 1.08Å | |
| N13 | H35 | sing | 0.97Å | 1.00Å | |
| N13 | H34 | sing | 0.97Å | 1.00Å | |
| N7 | H18 | sing | 0.97Å | 1.00Å | |
| N7 | H17 | sing | 0.97Å | 1.00Å | |
| O2 | H23 | sing | 0.97Å | 0.95Å | |
| O6 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | N1 | 124.9° | 120.0° |
| N | C | N2 | 113.3° | 120.0° |
| C | N | H4 | 120.0° | 120.0° |
| C | N | H5 | 120.0° | 120.0° |
| N1 | C | N2 | 121.8° | 120.0° |
| C | N1 | H6 | 112.0° | 120.0° |
| C | N2 | C1 | 123.1° | 120.0° |
| C | N2 | H7 | 118.5° | 120.0° |
| N2 | C1 | C2 | 111.8° | 109.5° |
| C1 | N2 | H7 | 118.4° | 120.0° |
| N2 | C1 | H9 | 108.9° | 109.5° |
| N2 | C1 | H8 | 108.9° | 109.5° |
| C1 | C2 | C3 | 118.6° | 109.5° |
| C2 | C1 | H9 | 108.9° | 109.5° |
| C2 | C1 | H8 | 108.9° | 109.5° |
| C1 | C2 | H11 | 107.1° | 109.5° |
| C1 | C2 | H10 | 107.1° | 109.5° |
| C2 | C3 | N3 | 114.8° | 109.5° |
| C2 | C3 | H13 | 108.1° | 109.4° |
| C2 | C3 | H12 | 108.1° | 109.5° |
| C3 | C2 | H11 | 107.2° | 109.4° |
| C3 | C2 | H10 | 107.2° | 109.4° |
| C3 | N3 | C4 | 108.9° | 111.0° |
| C3 | N3 | C17 | 114.9° | 111.0° |
| N3 | C3 | H13 | 108.1° | 109.5° |
| N3 | C3 | H12 | 108.1° | 109.5° |
| N3 | C4 | C5 | 113.9° | 109.5° |
| C4 | N3 | C17 | 115.2° | 111.0° |
| N3 | C4 | H15 | 108.4° | 109.5° |
| N3 | C4 | H14 | 108.3° | 109.5° |
| C4 | C5 | C6 | 176.8° | 180.0° |
| C5 | C4 | H15 | 108.3° | 109.5° |
| C5 | C4 | H14 | 108.3° | 109.5° |
| C5 | C6 | C7 | 174.8° | 180.0° |
| C6 | C7 | N4 | 123.7° | 125.2° |
| C6 | C7 | N8 | 123.0° | 125.2° |
| C7 | N4 | C8 | 104.2° | 109.4° |
| N4 | C7 | N8 | 113.3° | 109.6° |
| N4 | C8 | C9 | 111.2° | 107.4° |
| N4 | C8 | C11 | 131.7° | 134.5° |
| C8 | C9 | N5 | 126.8° | 119.1° |
| C9 | C8 | C11 | 117.0° | 118.1° |
| C8 | C9 | N8 | 105.7° | 106.2° |
| C9 | N5 | C10 | 111.0° | 120.7° |
| N5 | C9 | N8 | 127.4° | 134.7° |
| N5 | C10 | N6 | 129.0° | 122.5° |
| N5 | C10 | H16 | 115.5° | 118.8° |
| C10 | N6 | C11 | 118.6° | 121.2° |
| N6 | C10 | H16 | 115.5° | 118.8° |
| N6 | C11 | C8 | 117.7° | 118.5° |
| N6 | C11 | N7 | 118.7° | 120.8° |
| C8 | C11 | N7 | 123.6° | 120.8° |
| C11 | N7 | H18 | 109.5° | 120.0° |
| C11 | N7 | H17 | 109.4° | 120.0° |
| C9 | N8 | C7 | 105.7° | 107.3° |
| C9 | N8 | C12 | 124.7° | 126.3° |
| C7 | N8 | C12 | 129.2° | 126.4° |
| N8 | C12 | O | 112.4° | 110.4° |
| N8 | C12 | C16 | 116.4° | 110.4° |
| N8 | C12 | H | 107.8° | 110.3° |
| C12 | O | C13 | 106.0° | 105.3° |
| O | C12 | C16 | 104.7° | 104.8° |
| O | C12 | H | 108.2° | 110.4° |
| O | C13 | C14 | 110.9° | 110.3° |
| O | C13 | C15 | 106.4° | 104.8° |
| O | C13 | H1 | 108.3° | 110.4° |
| C13 | C14 | O1 | 112.5° | 109.5° |
| C14 | C13 | C15 | 116.2° | 110.4° |
| C14 | C13 | H1 | 107.5° | 110.4° |
| C13 | C14 | H20 | 108.7° | 109.5° |
| C13 | C14 | H19 | 108.7° | 109.5° |
| C14 | O1 | H21 | 109.5° | 114.0° |
| O1 | C14 | H20 | 108.7° | 109.5° |
| O1 | C14 | H19 | 108.7° | 109.5° |
| C13 | C15 | O2 | 107.1° | 110.5° |
| C13 | C15 | C16 | 103.6° | 104.0° |
| C15 | C13 | H1 | 107.2° | 110.5° |
| C13 | C15 | H22 | 112.6° | 110.5° |
| O2 | C15 | C16 | 105.2° | 110.5° |
| O2 | C15 | H22 | 114.7° | 110.6° |
| C15 | O2 | H23 | 109.5° | 113.9° |
| C15 | C16 | C12 | 99.4° | 104.1° |
| C15 | C16 | O3 | 110.5° | 110.5° |
| C16 | C15 | H22 | 112.8° | 110.5° |
| C15 | C16 | H24 | 112.3° | 110.5° |
| C12 | C16 | O3 | 107.2° | 110.5° |
| C16 | C12 | H | 107.0° | 110.5° |
| C12 | C16 | H24 | 112.5° | 110.7° |
| C16 | O3 | H25 | 109.5° | 114.1° |
| O3 | C16 | H24 | 114.0° | 110.4° |
| N3 | C17 | C18 | 111.2° | 109.5° |
| N3 | C17 | H27 | 109.0° | 109.4° |
| N3 | C17 | H26 | 109.0° | 109.5° |
| C17 | C18 | O4 | 109.0° | 109.8° |
| C17 | C18 | C21 | 118.8° | 109.9° |
| C18 | C17 | H27 | 109.0° | 109.4° |
| C18 | C17 | H26 | 109.0° | 109.5° |
| C17 | C18 | H2 | 108.0° | 109.8° |
| C18 | O4 | C19 | 107.7° | 106.9° |
| O4 | C18 | C21 | 103.5° | 107.3° |
| O4 | C18 | H2 | 109.2° | 109.9° |
| O4 | C19 | C20 | 107.5° | 103.5° |
| O4 | C19 | N9 | 108.6° | 110.6° |
| O4 | C19 | H3 | 109.7° | 110.6° |
| C19 | C20 | O5 | 108.4° | 110.9° |
| C19 | C20 | C21 | 103.9° | 102.1° |
| C20 | C19 | N9 | 113.6° | 110.6° |
| C20 | C19 | H3 | 108.2° | 110.6° |
| C19 | C20 | H28 | 109.6° | 110.9° |
| O5 | C20 | C21 | 114.0° | 110.9° |
| C20 | O5 | H29 | 109.5° | 114.0° |
| O5 | C20 | H28 | 111.1° | 110.8° |
| C20 | C21 | C18 | 102.9° | 104.2° |
| C20 | C21 | O6 | 110.2° | 110.5° |
| C21 | C20 | H28 | 109.5° | 110.9° |
| C20 | C21 | H30 | 109.3° | 110.5° |
| C18 | C21 | O6 | 113.8° | 110.4° |
| C21 | C18 | H2 | 108.0° | 110.1° |
| C18 | C21 | H30 | 109.4° | 110.5° |
| O6 | C21 | H30 | 110.9° | 110.5° |
| C21 | O6 | H31 | 109.5° | 114.0° |
| C19 | N9 | C22 | 127.7° | 126.3° |
| C19 | N9 | C24 | 126.6° | 126.3° |
| N9 | C19 | H3 | 109.2° | 110.7° |
| N9 | C22 | N10 | 114.0° | 110.0° |
| C22 | N9 | C24 | 105.7° | 107.4° |
| N9 | C22 | H32 | 123.0° | 125.1° |
| C22 | N10 | C23 | 103.7° | 109.4° |
| N10 | C22 | H32 | 123.0° | 125.0° |
| N10 | C23 | C24 | 110.6° | 107.2° |
| N10 | C23 | C26 | 132.4° | 134.7° |
| C23 | C24 | N9 | 105.9° | 106.0° |
| C23 | C24 | N11 | 126.7° | 119.1° |
| C24 | C23 | C26 | 117.0° | 118.1° |
| N9 | C24 | N11 | 127.3° | 134.9° |
| C24 | N11 | C25 | 110.9° | 120.7° |
| N11 | C25 | N12 | 128.9° | 122.4° |
| N11 | C25 | H33 | 115.5° | 118.8° |
| C25 | N12 | C26 | 119.1° | 121.2° |
| N12 | C25 | H33 | 115.6° | 118.8° |
| N12 | C26 | C23 | 117.4° | 118.5° |
| N12 | C26 | N13 | 118.3° | 120.8° |
| C23 | C26 | N13 | 124.3° | 120.7° |
| C26 | N13 | H35 | 109.5° | 119.9° |
| C26 | N13 | H34 | 109.5° | 120.0° |
| H9 | C1 | H8 | 109.5° | 109.4° |
| H15 | C4 | H14 | 109.5° | 109.4° |
| H13 | C3 | H12 | 109.5° | 109.5° |
| H11 | C2 | H10 | 109.5° | 109.5° |
| H4 | N | H5 | 120.0° | 119.9° |
| H20 | C14 | H19 | 109.5° | 109.4° |
| H27 | C17 | H26 | 109.5° | 109.5° |
| H35 | N13 | H34 | 109.4° | 120.1° |
| H18 | N7 | H17 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | N1 | N2 | 179.3° | 180.0° |
| N | C | N2 | C1 | 20.2° | 180.0° |
| N | C | N1 | H6 | 179.3° | 180.0° |
| N | C | N2 | H7 | 159.8° | 0.0° |
| C | N | H4 | H5 | 180.0° | 180.0° |
| N1 | C | N2 | C1 | 160.4° | 0.0° |
| N1 | C | N2 | H7 | 19.6° | 180.0° |
| N1 | C | N | H4 | 179.4° | 0.0° |
| N1 | C | N | H5 | 0.6° | 180.0° |
| C | N2 | C1 | H7 | 180.0° | 180.0° |
| C | N2 | C1 | C2 | 177.3° | 180.0° |
| N2 | C | N1 | H6 | 0.0° | 0.0° |
| C | N2 | C1 | H9 | 57.0° | 60.0° |
| C | N2 | C1 | H8 | 62.3° | 60.0° |
| N2 | C | N | H4 | 0.0° | 180.0° |
| N2 | C | N | H5 | 180.0° | 0.0° |
| N2 | C1 | C2 | H9 | 120.3° | 120.0° |
| N2 | C1 | C2 | H8 | 120.3° | 120.0° |
| N2 | C1 | C2 | C3 | 153.9° | 175.2° |
| N2 | C1 | H9 | H8 | 118.9° | 120.0° |
| N2 | C1 | C2 | H11 | 32.6° | 64.8° |
| N2 | C1 | C2 | H10 | 84.8° | 55.3° |
| C1 | C2 | C3 | H11 | 121.3° | 120.0° |
| C1 | C2 | C3 | H10 | 121.3° | 120.0° |
| C1 | C2 | C3 | N3 | 61.0° | 175.5° |
| C2 | C1 | N2 | H7 | 2.7° | 0.0° |
| C2 | C1 | H9 | H8 | 119.0° | 120.0° |
| C1 | C2 | C3 | H13 | 178.2° | 64.6° |
| C1 | C2 | C3 | H12 | 59.8° | 55.5° |
| C1 | C2 | H11 | H10 | 115.9° | 120.1° |
| C2 | C3 | N3 | H13 | 120.8° | 119.9° |
| C2 | C3 | N3 | H12 | 120.8° | 120.0° |
| C2 | C3 | N3 | C4 | 177.1° | 70.1° |
| C2 | C3 | N3 | C17 | 52.1° | 53.9° |
| C3 | C2 | C1 | H9 | 85.8° | 55.2° |
| C3 | C2 | C1 | H8 | 33.5° | 64.7° |
| C2 | C3 | H13 | H12 | 117.6° | 120.0° |
| C3 | C2 | H11 | H10 | 115.9° | 119.9° |
| C3 | N3 | C4 | C17 | 130.7° | 124.0° |
| C3 | N3 | C4 | C5 | 145.6° | 70.5° |
| C3 | N3 | C17 | C18 | 149.1° | 73.0° |
| C3 | N3 | C4 | H15 | 93.8° | 49.5° |
| C3 | N3 | C4 | H14 | 24.9° | 169.5° |
| N3 | C3 | H13 | H12 | 117.6° | 120.0° |
| N3 | C3 | C2 | H11 | 60.3° | 64.5° |
| N3 | C3 | C2 | H10 | 177.8° | 55.5° |
| C3 | N3 | C17 | H27 | 28.8° | 47.0° |
| C3 | N3 | C17 | H26 | 90.6° | 167.0° |
| N3 | C4 | C5 | H15 | 120.7° | 120.0° |
| N3 | C4 | C5 | H14 | 120.7° | 120.0° |
| N3 | C4 | C5 | C6 | 44.0° | 103.8° |
| C4 | N3 | C17 | C18 | 83.1° | 163.0° |
| N3 | C4 | H15 | H14 | 118.0° | 120.0° |
| C4 | N3 | C3 | H13 | 62.1° | 170.0° |
| C4 | N3 | C3 | H12 | 56.3° | 50.0° |
| C4 | N3 | C17 | H27 | 156.6° | 77.0° |
| C4 | N3 | C17 | H26 | 37.1° | 43.0° |
| C4 | C5 | C6 | C7 | 68.6° | 167.9° |
| C5 | C4 | N3 | C17 | 83.7° | 165.5° |
| C5 | C4 | H15 | H14 | 117.9° | 120.0° |
| C5 | C6 | C7 | N4 | 0.8° | 115.9° |
| C5 | C6 | C7 | N8 | 178.0° | 64.4° |
| C6 | C5 | C4 | H15 | 76.6° | 16.2° |
| C6 | C5 | C4 | H14 | 164.7° | 136.2° |
| C6 | C7 | N4 | N8 | 178.9° | 179.7° |
| C6 | C7 | N4 | C8 | 178.7° | 179.9° |
| C6 | C7 | N8 | C9 | 179.6° | 180.0° |
| C6 | C7 | N8 | C12 | 7.4° | 0.2° |
| C7 | N4 | C8 | C9 | 1.1° | 0.1° |
| C7 | N4 | C8 | C11 | 174.3° | 179.8° |
| N4 | C7 | N8 | C9 | 0.7° | 0.2° |
| N4 | C7 | N8 | C12 | 171.5° | 180.0° |
| N4 | C8 | C9 | C11 | 176.2° | 179.9° |
| N4 | C8 | C9 | N5 | 177.4° | 180.0° |
| N4 | C8 | C11 | N6 | 175.1° | 180.0° |
| N4 | C8 | C11 | N7 | 4.4° | 0.1° |
| N4 | C8 | C9 | N8 | 1.6° | 0.0° |
| C8 | N4 | C7 | N8 | 0.3° | 0.2° |
| C8 | C9 | N5 | N8 | 175.0° | 180.0° |
| C8 | C9 | N5 | C10 | 1.4° | 0.0° |
| C9 | C8 | C11 | N6 | 0.1° | 0.1° |
| C9 | C8 | C11 | N7 | 179.6° | 180.0° |
| C8 | C9 | N8 | C7 | 1.3° | 0.2° |
| C8 | C9 | N8 | C12 | 171.3° | 180.0° |
| C9 | N5 | C10 | N6 | 0.4° | 0.0° |
| N5 | C9 | C8 | C11 | 1.2° | 0.0° |
| N5 | C9 | N8 | C7 | 177.1° | 179.9° |
| N5 | C9 | N8 | C12 | 4.5° | 0.0° |
| C9 | N5 | C10 | H16 | 179.6° | 180.0° |
| N5 | C10 | N6 | H16 | 180.0° | 180.0° |
| N5 | C10 | N6 | C11 | 0.7° | 0.0° |
| C10 | N5 | C9 | N8 | 173.5° | 180.0° |
| C10 | N6 | C11 | C8 | 1.0° | 0.1° |
| C10 | N6 | C11 | N7 | 179.5° | 180.0° |
| N6 | C11 | C8 | N7 | 179.6° | 179.9° |
| C11 | N6 | C10 | H16 | 179.3° | 180.0° |
| N6 | C11 | N7 | H18 | 0.0° | 180.0° |
| N6 | C11 | N7 | H17 | 120.0° | 0.0° |
| C11 | C8 | C9 | N8 | 174.6° | 180.0° |
| C8 | C11 | N7 | H18 | 179.5° | 0.0° |
| C8 | C11 | N7 | H17 | 59.5° | 179.9° |
| C11 | N7 | H18 | H17 | 120.0° | 179.9° |
| C9 | N8 | C7 | C12 | 172.2° | 179.8° |
| C9 | N8 | C12 | O | 109.6° | 43.7° |
| C9 | N8 | C12 | C16 | 129.6° | 71.7° |
| C9 | N8 | C12 | H | 9.5° | 165.9° |
| C7 | N8 | C12 | O | 61.2° | 136.5° |
| C7 | N8 | C12 | C16 | 59.6° | 108.1° |
| C7 | N8 | C12 | H | 179.7° | 14.3° |
| N8 | C12 | O | C16 | 127.3° | 118.8° |
| N8 | C12 | O | H | 118.9° | 122.2° |
| N8 | C12 | O | C13 | 167.2° | 159.4° |
| N8 | C12 | C16 | C15 | 169.3° | 142.8° |
| N8 | C12 | C16 | H | 120.5° | 122.3° |
| N8 | C12 | C16 | O3 | 75.7° | 98.5° |
| N8 | C12 | C16 | H24 | 50.4° | 24.1° |
| C12 | O | C13 | C14 | 145.4° | 159.4° |
| C12 | O | C13 | C15 | 18.1° | 40.6° |
| O | C12 | C16 | C15 | 44.6° | 24.0° |
| O | C12 | C16 | H | 114.7° | 118.9° |
| O | C12 | C16 | O3 | 159.6° | 142.6° |
| C12 | O | C13 | H1 | 96.9° | 78.3° |
| O | C12 | C16 | H24 | 74.4° | 94.7° |
| O | C13 | C14 | C15 | 121.7° | 115.3° |
| O | C13 | C14 | H1 | 118.2° | 122.3° |
| O | C13 | C14 | O1 | 59.2° | 64.2° |
| O | C13 | C15 | H1 | 115.7° | 118.9° |
| O | C13 | C15 | O2 | 100.9° | 142.7° |
| O | C13 | C15 | C16 | 10.0° | 24.0° |
| C13 | O | C12 | C16 | 39.9° | 40.6° |
| C13 | O | C12 | H | 73.9° | 78.4° |
| O | C13 | C14 | H20 | 61.2° | 55.8° |
| O | C13 | C14 | H19 | 179.7° | 175.8° |
| O | C13 | C15 | H22 | 132.1° | 94.6° |
| C13 | C14 | O1 | H20 | 120.4° | 120.0° |
| C13 | C14 | O1 | H19 | 120.4° | 120.0° |
| C14 | C13 | C15 | H1 | 120.2° | 122.4° |
| C14 | C13 | C15 | O2 | 135.1° | 98.6° |
| C14 | C13 | C15 | C16 | 114.0° | 142.8° |
| C13 | C14 | O1 | H21 | 180.0° | 180.0° |
| C13 | C14 | H20 | H19 | 118.6° | 120.0° |
| C14 | C13 | C15 | H22 | 8.1° | 24.1° |
| O1 | C14 | C13 | C15 | 62.4° | 179.5° |
| O1 | C14 | C13 | H1 | 177.5° | 58.1° |
| O1 | C14 | H20 | H19 | 118.7° | 120.0° |
| C13 | C15 | O2 | C16 | 109.8° | 114.6° |
| C13 | C15 | O2 | H22 | 125.7° | 122.7° |
| C13 | C15 | C16 | H22 | 122.0° | 118.7° |
| C13 | C15 | C16 | C12 | 31.8° | 0.0° |
| C13 | C15 | C16 | O3 | 144.2° | 118.7° |
| C15 | C13 | C14 | H20 | 177.1° | 59.5° |
| C15 | C13 | C14 | H19 | 58.0° | 60.5° |
| C13 | C15 | C16 | H24 | 87.3° | 118.9° |
| C13 | C15 | O2 | H23 | 180.0° | 61.5° |
| O2 | C15 | C16 | H22 | 125.7° | 122.7° |
| O2 | C15 | C16 | C12 | 80.5° | 118.6° |
| O2 | C15 | C16 | O3 | 31.9° | 0.1° |
| O2 | C15 | C13 | H1 | 14.8° | 23.8° |
| O2 | C15 | C16 | H24 | 160.4° | 122.5° |
| C15 | C16 | C12 | O3 | 115.0° | 118.7° |
| C15 | C16 | C12 | H24 | 118.9° | 118.7° |
| C15 | C16 | O3 | H24 | 127.5° | 122.5° |
| C15 | C16 | O3 | H25 | 180.0° | 61.4° |
| C15 | C16 | C12 | H | 70.1° | 94.9° |
| C16 | C15 | C13 | H1 | 125.8° | 94.8° |
| C16 | C15 | O2 | H23 | 70.2° | 176.1° |
| C12 | C16 | O3 | H24 | 125.1° | 122.8° |
| C12 | C16 | O3 | H25 | 72.7° | 176.1° |
| C12 | C16 | C15 | H22 | 153.8° | 118.7° |
| O3 | C16 | C12 | H | 44.8° | 23.8° |
| O3 | C16 | C15 | H22 | 93.8° | 122.7° |
| N3 | C17 | C18 | H27 | 120.3° | 120.0° |
| N3 | C17 | C18 | H26 | 120.3° | 120.1° |
| N3 | C17 | C18 | O4 | 68.1° | 66.7° |
| N3 | C17 | C18 | C21 | 173.8° | 175.5° |
| C17 | N3 | C4 | H15 | 36.9° | 74.5° |
| C17 | N3 | C4 | H14 | 155.6° | 45.5° |
| C17 | N3 | C3 | H13 | 68.7° | 66.1° |
| C17 | N3 | C3 | H12 | 172.9° | 173.9° |
| N3 | C17 | H27 | H26 | 119.2° | 120.0° |
| N3 | C17 | C18 | H2 | 50.4° | 54.3° |
| C17 | C18 | O4 | C21 | 127.4° | 119.4° |
| C17 | C18 | O4 | H2 | 117.8° | 120.9° |
| C17 | C18 | O4 | C19 | 166.1° | 146.0° |
| C17 | C18 | C21 | C20 | 155.6° | 121.5° |
| C17 | C18 | C21 | H2 | 123.4° | 121.1° |
| C17 | C18 | C21 | O6 | 85.2° | 119.9° |
| C18 | C17 | H27 | H26 | 119.2° | 120.0° |
| C17 | C18 | C21 | H30 | 39.5° | 2.7° |
| C18 | O4 | C19 | C20 | 26.6° | 40.1° |
| O4 | C18 | C21 | C20 | 34.7° | 2.1° |
| O4 | C18 | C21 | H2 | 115.6° | 119.5° |
| O4 | C18 | C21 | O6 | 153.9° | 120.8° |
| C18 | O4 | C19 | N9 | 149.9° | 158.6° |
| O4 | C18 | C17 | H27 | 52.1° | 53.3° |
| O4 | C18 | C17 | H26 | 171.6° | 173.3° |
| C18 | O4 | C19 | H3 | 90.9° | 78.4° |
| O4 | C18 | C21 | H30 | 81.5° | 116.7° |
| O4 | C19 | C20 | N9 | 120.2° | 118.5° |
| O4 | C19 | C20 | H3 | 118.5° | 118.5° |
| O4 | C19 | C20 | O5 | 125.1° | 155.2° |
| O4 | C19 | C20 | C21 | 3.6° | 37.0° |
| C19 | O4 | C18 | C21 | 38.7° | 26.5° |
| O4 | C19 | N9 | H3 | 119.6° | 123.0° |
| O4 | C19 | N9 | C22 | 52.1° | 23.9° |
| O4 | C19 | N9 | C24 | 129.1° | 156.5° |
| C19 | O4 | C18 | H2 | 76.1° | 93.1° |
| O4 | C19 | C20 | H28 | 113.4° | 81.2° |
| C19 | C20 | O5 | C21 | 115.2° | 112.7° |
| C19 | C20 | O5 | H28 | 120.6° | 123.7° |
| C19 | C20 | C21 | H28 | 117.0° | 118.2° |
| C19 | C20 | C21 | C18 | 18.8° | 20.8° |
| C19 | C20 | C21 | O6 | 140.5° | 97.8° |
| C20 | C19 | N9 | H3 | 120.8° | 122.9° |
| C20 | C19 | N9 | C22 | 67.5° | 90.2° |
| C20 | C19 | N9 | C24 | 111.4° | 89.4° |
| C19 | C20 | O5 | H29 | 180.0° | 179.9° |
| C19 | C20 | C21 | H30 | 97.4° | 139.5° |
| O5 | C20 | C21 | H28 | 125.2° | 123.6° |
| O5 | C20 | C21 | C18 | 99.0° | 139.0° |
| O5 | C20 | C21 | O6 | 22.7° | 20.4° |
| O5 | C20 | C19 | N9 | 114.7° | 86.3° |
| O5 | C20 | C19 | H3 | 6.7° | 36.7° |
| O5 | C20 | C21 | H30 | 144.8° | 102.3° |
| C20 | C21 | C18 | O6 | 119.2° | 118.7° |
| C20 | C21 | C18 | H30 | 116.1° | 118.7° |
| C20 | C21 | O6 | H30 | 121.1° | 122.7° |
| C21 | C20 | C19 | N9 | 123.7° | 155.5° |
| C21 | C20 | O5 | H29 | 64.8° | 67.4° |
| C20 | C21 | C18 | H2 | 81.0° | 117.5° |
| C21 | C20 | C19 | H3 | 114.9° | 81.5° |
| C20 | C21 | O6 | H31 | 180.0° | 65.2° |
| C18 | C21 | O6 | H30 | 123.9° | 122.6° |
| C21 | C18 | C17 | H27 | 66.0° | 64.5° |
| C21 | C18 | C17 | H26 | 53.5° | 55.4° |
| C18 | C21 | C20 | H28 | 135.9° | 97.4° |
| C18 | C21 | O6 | H31 | 65.0° | 180.0° |
| O6 | C21 | C18 | H2 | 38.3° | 1.2° |
| O6 | C21 | C20 | H28 | 102.4° | 144.0° |
| C19 | N9 | C22 | C24 | 179.0° | 179.7° |
| C19 | N9 | C22 | N10 | 178.7° | 179.7° |
| C19 | N9 | C24 | C23 | 178.4° | 179.9° |
| C19 | N9 | C24 | N11 | 1.2° | 0.1° |
| N9 | C19 | C20 | H28 | 6.8° | 37.3° |
| C19 | N9 | C22 | H32 | 1.2° | 0.1° |
| N9 | C22 | N10 | H32 | 180.0° | 179.8° |
| N9 | C22 | N10 | C23 | 0.2° | 0.2° |
| C22 | N9 | C24 | C23 | 0.7° | 0.3° |
| C22 | N9 | C24 | N11 | 177.8° | 179.8° |
| C22 | N9 | C19 | H3 | 171.7° | 146.9° |
| C22 | N10 | C23 | C24 | 0.6° | 0.4° |
| N10 | C22 | N9 | C24 | 0.3° | 0.1° |
| C22 | N10 | C23 | C26 | 176.2° | 179.9° |
| N10 | C23 | C24 | C26 | 177.3° | 179.7° |
| N10 | C23 | C24 | N9 | 0.8° | 0.4° |
| N10 | C23 | C24 | N11 | 178.0° | 179.6° |
| N10 | C23 | C26 | N12 | 176.8° | 179.5° |
| N10 | C23 | C26 | N13 | 0.6° | 0.5° |
| C23 | N10 | C22 | H32 | 179.8° | 180.0° |
| C23 | C24 | N9 | N11 | 177.2° | 180.0° |
| C23 | C24 | N11 | C25 | 1.0° | 0.1° |
| C24 | C23 | C26 | N12 | 0.1° | 0.0° |
| C24 | C23 | C26 | N13 | 177.2° | 180.0° |
| N9 | C24 | N11 | C25 | 175.6° | 180.0° |
| N9 | C24 | C23 | C26 | 176.5° | 180.0° |
| C24 | N9 | C19 | H3 | 9.5° | 33.5° |
| C24 | N9 | C22 | H32 | 179.7° | 179.8° |
| C24 | N11 | C25 | N12 | 0.9° | 0.1° |
| N11 | C24 | C23 | C26 | 0.7° | 0.0° |
| C24 | N11 | C25 | H33 | 179.1° | 180.0° |
| N11 | C25 | N12 | H33 | 180.0° | 179.9° |
| N11 | C25 | N12 | C26 | 0.5° | 0.1° |
| C25 | N12 | C26 | C23 | 0.1° | 0.0° |
| C25 | N12 | C26 | N13 | 177.5° | 180.0° |
| N12 | C26 | C23 | N13 | 177.4° | 180.0° |
| C26 | N12 | C25 | H33 | 179.5° | 179.9° |
| N12 | C26 | N13 | H35 | 0.0° | 180.0° |
| N12 | C26 | N13 | H34 | 120.0° | 0.0° |
| C23 | C26 | N13 | H35 | 177.3° | 0.0° |
| C23 | C26 | N13 | H34 | 62.7° | 180.0° |
| C26 | N13 | H35 | H34 | 120.0° | 180.0° |
| H7 | N2 | C1 | H9 | 123.0° | 120.0° |
| H7 | N2 | C1 | H8 | 117.7° | 120.0° |
| H21 | O1 | C14 | H20 | 59.6° | 60.0° |
| H21 | O1 | C14 | H19 | 59.6° | 60.0° |
| H9 | C1 | C2 | H11 | 152.9° | 175.2° |
| H9 | C1 | C2 | H10 | 35.5° | 64.7° |
| H8 | C1 | C2 | H11 | 87.8° | 55.2° |
| H8 | C1 | C2 | H10 | 154.8° | 175.3° |
| H29 | O5 | C20 | H28 | 59.4° | 56.3° |
| H13 | C3 | C2 | H11 | 60.5° | 55.5° |
| H13 | C3 | C2 | H10 | 57.0° | 175.5° |
| H12 | C3 | C2 | H11 | 178.9° | 175.5° |
| H12 | C3 | C2 | H10 | 61.5° | 64.5° |
| H25 | O3 | C16 | H24 | 52.5° | 61.1° |
| H | C12 | C16 | H24 | 170.9° | 146.4° |
| H1 | C13 | C14 | H20 | 57.0° | 178.1° |
| H1 | C13 | C14 | H19 | 62.1° | 61.9° |
| H1 | C13 | C15 | H22 | 112.1° | 146.5° |
| H22 | C15 | C16 | H24 | 34.7° | 0.2° |
| H22 | C15 | O2 | H23 | 54.3° | 61.2° |
| H27 | C17 | C18 | H2 | 170.7° | 174.3° |
| H26 | C17 | C18 | H2 | 69.9° | 65.8° |
| H2 | C18 | C21 | H30 | 162.9° | 123.8° |
| H3 | C19 | C20 | H28 | 128.1° | 160.3° |
| H28 | C20 | C21 | H30 | 19.7° | 21.3° |
| H30 | C21 | O6 | H31 | 58.9° | 57.5° |
