UX6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.37Å | 1.41Å | |
| N1 | C | doub | 1.30Å | 1.31Å | |
| 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 | 1.53Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | O | doub | 1.21Å | 1.23Å | |
| N3 | C4 | sing | 1.35Å | 1.33Å | |
| C5 | N3 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | O1 | sing | 1.44Å | 1.45Å | |
| O1 | C7 | sing | 1.44Å | 1.41Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| O2 | C8 | sing | 1.43Å | 1.42Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C9 | C6 | sing | 1.54Å | 1.53Å | |
| O3 | C9 | sing | 1.43Å | 1.42Å | |
| N4 | C7 | sing | 1.47Å | 1.46Å | |
| N4 | C10 | sing | 1.37Å | 1.38Å | Aromatic |
| C10 | N5 | doub | 1.31Å | 1.32Å | Aromatic |
| N5 | C11 | sing | 1.35Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.41Å | Aromatic |
| N6 | C12 | sing | 1.38Å | 1.34Å | |
| C12 | N7 | sing | 1.33Å | 1.35Å | Aromatic |
| N7 | C13 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | N8 | sing | 1.32Å | 1.33Å | Aromatic |
| N8 | C14 | doub | 1.33Å | 1.34Å | Aromatic |
| C14 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | C14 | sing | 1.41Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.43Å | 1.42Å | |
| C16 | C15 | trip | 1.17Å | 1.19Å | |
| C17 | C16 | sing | 1.47Å | 1.46Å | |
| O4 | C17 | sing | 1.43Å | 1.42Å | |
| C18 | O4 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C19 | O5 | sing | 1.44Å | 1.44Å | |
| O5 | C20 | sing | 1.44Å | 1.42Å | |
| C20 | C21 | sing | 1.55Å | 1.54Å | |
| O6 | C21 | sing | 1.43Å | 1.42Å | |
| C21 | C22 | sing | 1.55Å | 1.53Å | |
| C22 | C19 | sing | 1.54Å | 1.53Å | |
| O7 | C22 | sing | 1.43Å | 1.43Å | |
| N9 | C20 | sing | 1.46Å | 1.46Å | |
| N9 | C23 | sing | 1.36Å | 1.37Å | Aromatic |
| C23 | N10 | doub | 1.30Å | 1.31Å | Aromatic |
| N10 | C24 | sing | 1.35Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.41Å | 1.41Å | Aromatic |
| N11 | C25 | sing | 1.38Å | 1.34Å | |
| C25 | N12 | sing | 1.33Å | 1.35Å | Aromatic |
| N12 | C26 | doub | 1.32Å | 1.34Å | Aromatic |
| C26 | N13 | sing | 1.32Å | 1.33Å | Aromatic |
| N13 | C27 | doub | 1.33Å | 1.34Å | Aromatic |
| C27 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C24 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H | sing | 1.09Å | 1.10Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | H20 | sing | 0.97Å | 0.95Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C13 | H23 | sing | 1.08Å | 1.08Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C26 | H35 | sing | 1.08Å | 1.08Å | |
| N11 | H33 | sing | 0.97Å | 1.00Å | |
| N11 | H34 | sing | 0.97Å | 1.00Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| O2 | H18 | sing | 0.97Å | 0.95Å | |
| O6 | H29 | sing | 0.97Å | 0.95Å | |
| O7 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | N1 | 126.3° | 120.0° |
| N | C | N2 | 113.2° | 120.0° |
| C | N | H4 | 120.0° | 120.0° |
| C | N | H5 | 120.0° | 120.0° |
| N1 | C | N2 | 120.5° | 120.0° |
| C | N1 | H6 | 112.0° | 120.0° |
| C | N2 | C1 | 121.7° | 120.0° |
| C | N2 | H7 | 119.1° | 120.0° |
| N2 | C1 | C2 | 113.0° | 109.5° |
| C1 | N2 | H7 | 119.1° | 120.0° |
| N2 | C1 | H9 | 108.6° | 109.5° |
| N2 | C1 | H8 | 108.6° | 109.5° |
| C1 | C2 | C3 | 112.8° | 109.5° |
| C2 | C1 | H9 | 108.6° | 109.5° |
| C2 | C1 | H8 | 108.6° | 109.4° |
| C1 | C2 | H10 | 108.7° | 109.5° |
| C1 | C2 | H11 | 108.7° | 109.4° |
| C2 | C3 | C4 | 113.4° | 109.5° |
| C2 | C3 | H13 | 108.5° | 109.5° |
| C2 | C3 | H12 | 108.5° | 109.4° |
| C3 | C2 | H10 | 108.6° | 109.5° |
| C3 | C2 | H11 | 108.6° | 109.5° |
| C3 | C4 | O | 121.4° | 120.0° |
| C3 | C4 | N3 | 115.9° | 120.0° |
| C4 | C3 | H13 | 108.5° | 109.5° |
| C4 | C3 | H12 | 108.5° | 109.5° |
| O | C4 | N3 | 122.7° | 120.0° |
| C4 | N3 | C5 | 123.2° | 120.0° |
| C4 | N3 | H14 | 118.4° | 120.0° |
| N3 | C5 | C6 | 112.7° | 109.5° |
| N3 | C5 | H15 | 108.6° | 109.4° |
| N3 | C5 | H16 | 108.7° | 109.5° |
| C5 | N3 | H14 | 118.4° | 120.0° |
| C5 | C6 | O1 | 109.2° | 109.9° |
| C5 | C6 | C9 | 115.9° | 109.9° |
| C6 | C5 | H15 | 108.7° | 109.5° |
| C6 | C5 | H16 | 108.7° | 109.5° |
| C5 | C6 | H | 108.3° | 109.9° |
| C6 | O1 | C7 | 109.1° | 107.0° |
| O1 | C6 | C9 | 106.0° | 107.3° |
| O1 | C6 | H | 109.2° | 110.0° |
| O1 | C7 | C8 | 105.5° | 103.5° |
| O1 | C7 | N4 | 110.0° | 110.7° |
| O1 | C7 | H1 | 109.0° | 110.6° |
| C7 | C8 | O2 | 110.4° | 110.9° |
| C7 | C8 | C9 | 100.0° | 102.1° |
| C8 | C7 | N4 | 116.1° | 110.6° |
| C8 | C7 | H1 | 107.6° | 110.6° |
| C7 | C8 | H17 | 111.0° | 110.9° |
| O2 | C8 | C9 | 111.5° | 110.9° |
| O2 | C8 | H17 | 112.5° | 110.8° |
| C8 | O2 | H18 | 109.5° | 114.0° |
| C8 | C9 | C6 | 102.7° | 104.2° |
| C8 | C9 | O3 | 110.3° | 110.5° |
| C9 | C8 | H17 | 110.9° | 110.8° |
| C8 | C9 | H19 | 110.5° | 110.6° |
| C6 | C9 | O3 | 110.5° | 110.5° |
| C6 | C9 | H19 | 110.4° | 110.5° |
| C9 | C6 | H | 108.1° | 109.8° |
| O3 | C9 | H19 | 112.0° | 110.5° |
| C9 | O3 | H20 | 109.5° | 114.0° |
| C7 | N4 | C10 | 128.3° | 126.4° |
| C7 | N4 | C14 | 125.8° | 126.3° |
| N4 | C7 | H1 | 108.4° | 110.6° |
| N4 | C10 | N5 | 113.5° | 109.6° |
| C10 | N4 | C14 | 105.9° | 107.4° |
| N4 | C10 | C15 | 122.1° | 125.2° |
| C10 | N5 | C11 | 103.8° | 109.4° |
| N5 | C10 | C15 | 124.3° | 125.2° |
| N5 | C11 | C12 | 131.9° | 134.5° |
| N5 | C11 | C14 | 111.1° | 107.4° |
| C11 | C12 | N6 | 123.9° | 120.7° |
| C11 | C12 | N7 | 117.6° | 118.5° |
| C12 | C11 | C14 | 116.9° | 118.1° |
| N6 | C12 | N7 | 118.5° | 120.8° |
| C12 | N6 | H21 | 109.5° | 120.0° |
| C12 | N6 | H22 | 109.4° | 120.0° |
| C12 | N7 | C13 | 118.9° | 121.2° |
| N7 | C13 | N8 | 128.8° | 122.5° |
| N7 | C13 | H23 | 115.6° | 118.8° |
| C13 | N8 | C14 | 111.0° | 120.6° |
| N8 | C13 | H23 | 115.6° | 118.7° |
| N8 | C14 | N4 | 127.5° | 134.7° |
| N8 | C14 | C11 | 126.7° | 119.1° |
| N4 | C14 | C11 | 105.7° | 106.2° |
| C10 | C15 | C16 | 177.1° | 179.9° |
| C15 | C16 | C17 | 174.0° | 179.9° |
| C16 | C17 | O4 | 111.6° | 109.4° |
| C16 | C17 | H24 | 108.9° | 109.5° |
| C16 | C17 | H25 | 109.0° | 109.5° |
| C17 | O4 | C18 | 112.0° | 114.0° |
| O4 | C17 | H24 | 108.9° | 109.4° |
| O4 | C17 | H25 | 108.9° | 109.5° |
| O4 | C18 | C19 | 109.7° | 109.5° |
| O4 | C18 | H27 | 109.4° | 109.4° |
| O4 | C18 | H26 | 109.4° | 109.4° |
| C18 | C19 | O5 | 109.7° | 109.9° |
| C18 | C19 | C22 | 116.1° | 109.9° |
| C19 | C18 | H27 | 109.4° | 109.5° |
| C19 | C18 | H26 | 109.4° | 109.5° |
| C18 | C19 | H2 | 108.8° | 109.9° |
| C19 | O5 | C20 | 107.7° | 106.9° |
| O5 | C19 | C22 | 103.8° | 107.3° |
| O5 | C19 | H2 | 109.8° | 109.9° |
| O5 | C20 | C21 | 107.8° | 103.5° |
| O5 | C20 | N9 | 109.1° | 110.6° |
| O5 | C20 | H3 | 109.4° | 110.6° |
| C20 | C21 | O6 | 110.2° | 110.9° |
| C20 | C21 | C22 | 103.5° | 102.1° |
| C21 | C20 | N9 | 113.8° | 110.6° |
| C21 | C20 | H3 | 107.8° | 110.6° |
| C20 | C21 | H28 | 109.8° | 110.9° |
| O6 | C21 | C22 | 111.9° | 110.9° |
| O6 | C21 | H28 | 111.5° | 110.8° |
| C21 | O6 | H29 | 109.5° | 114.0° |
| C21 | C22 | C19 | 102.7° | 104.2° |
| C21 | C22 | O7 | 110.5° | 110.5° |
| C22 | C21 | H28 | 109.8° | 111.0° |
| C21 | C22 | H30 | 109.5° | 110.5° |
| C19 | C22 | O7 | 113.1° | 110.5° |
| C22 | C19 | H2 | 108.6° | 110.0° |
| C19 | C22 | H30 | 109.6° | 110.5° |
| O7 | C22 | H30 | 111.1° | 110.5° |
| C22 | O7 | H31 | 109.5° | 114.0° |
| C20 | N9 | C23 | 127.3° | 126.3° |
| C20 | N9 | C27 | 127.0° | 126.3° |
| N9 | C20 | H3 | 108.9° | 110.7° |
| N9 | C23 | N10 | 114.1° | 110.0° |
| C23 | N9 | C27 | 105.6° | 107.4° |
| N9 | C23 | H32 | 123.0° | 125.0° |
| C23 | N10 | C24 | 103.7° | 109.4° |
| N10 | C23 | H32 | 122.9° | 125.0° |
| N10 | C24 | C25 | 132.4° | 134.7° |
| N10 | C24 | C27 | 110.7° | 107.2° |
| C24 | C25 | N11 | 123.8° | 120.8° |
| C24 | C25 | N12 | 117.6° | 118.4° |
| C25 | C24 | C27 | 116.9° | 118.2° |
| N11 | C25 | N12 | 118.5° | 120.7° |
| C25 | N11 | H33 | 109.5° | 119.9° |
| C25 | N11 | H34 | 109.5° | 120.0° |
| C25 | N12 | C26 | 118.8° | 121.2° |
| N12 | C26 | N13 | 128.8° | 122.5° |
| N12 | C26 | H35 | 115.6° | 118.7° |
| C26 | N13 | C27 | 111.2° | 120.7° |
| N13 | C26 | H35 | 115.6° | 118.8° |
| N13 | C27 | N9 | 127.5° | 134.9° |
| N13 | C27 | C24 | 126.6° | 119.1° |
| N9 | C27 | C24 | 105.9° | 106.0° |
| H9 | C1 | H8 | 109.5° | 109.4° |
| H15 | C5 | H16 | 109.5° | 109.4° |
| H13 | C3 | H12 | 109.4° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H4 | N | H5 | 120.0° | 120.0° |
| H24 | C17 | H25 | 109.5° | 109.5° |
| H27 | C18 | H26 | 109.5° | 109.5° |
| H33 | N11 | H34 | 109.5° | 120.0° |
| H21 | N6 | H22 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | N1 | N2 | 179.8° | 180.0° |
| N | C | N2 | C1 | 39.0° | 180.0° |
| N | C | N1 | H6 | 179.8° | 179.9° |
| N | C | N2 | H7 | 140.9° | 0.1° |
| C | N | H4 | H5 | 180.0° | 179.9° |
| N1 | C | N2 | C1 | 141.2° | 0.0° |
| N1 | C | N2 | H7 | 38.9° | 180.0° |
| N1 | C | N | H4 | 179.8° | 0.1° |
| N1 | C | N | H5 | 0.2° | 180.0° |
| C | N2 | C1 | H7 | 180.0° | 180.0° |
| C | N2 | C1 | C2 | 95.7° | 180.0° |
| N2 | C | N1 | H6 | 0.0° | 0.0° |
| C | N2 | C1 | H9 | 143.8° | 60.0° |
| C | N2 | C1 | H8 | 24.9° | 60.0° |
| N2 | C | N | H4 | 0.0° | 180.0° |
| N2 | C | N | H5 | 180.0° | 0.1° |
| N2 | C1 | C2 | H9 | 120.5° | 120.1° |
| N2 | C1 | C2 | H8 | 120.5° | 120.0° |
| N2 | C1 | C2 | C3 | 177.3° | 180.0° |
| N2 | C1 | H9 | H8 | 118.4° | 120.0° |
| N2 | C1 | C2 | H10 | 56.8° | 59.9° |
| N2 | C1 | C2 | H11 | 62.2° | 60.0° |
| C1 | C2 | C3 | H10 | 120.5° | 120.0° |
| C1 | C2 | C3 | H11 | 120.5° | 120.0° |
| C1 | C2 | C3 | C4 | 162.6° | 180.0° |
| C2 | C1 | N2 | H7 | 84.4° | 0.0° |
| C2 | C1 | H9 | H8 | 118.4° | 119.9° |
| C1 | C2 | C3 | H13 | 76.9° | 60.0° |
| C1 | C2 | C3 | H12 | 41.9° | 60.0° |
| C1 | C2 | H10 | H11 | 118.5° | 119.9° |
| C2 | C3 | C4 | H13 | 120.6° | 120.0° |
| C2 | C3 | C4 | H12 | 120.6° | 120.0° |
| C2 | C3 | C4 | O | 105.8° | 0.0° |
| C2 | C3 | C4 | N3 | 74.8° | 180.0° |
| C3 | C2 | C1 | H9 | 62.2° | 59.9° |
| C3 | C2 | C1 | H8 | 56.8° | 60.0° |
| C2 | C3 | H13 | H12 | 118.2° | 120.0° |
| C3 | C2 | H10 | H11 | 118.5° | 120.0° |
| C3 | C4 | O | N3 | 179.4° | 180.0° |
| C3 | C4 | N3 | C5 | 163.9° | 179.9° |
| C3 | C4 | N3 | H14 | 16.1° | 0.0° |
| C4 | C3 | H13 | H12 | 118.2° | 120.0° |
| C4 | C3 | C2 | H10 | 42.0° | 60.0° |
| C4 | C3 | C2 | H11 | 77.0° | 60.0° |
| O | C4 | N3 | C5 | 16.7° | 0.0° |
| O | C4 | N3 | H14 | 163.3° | 180.0° |
| O | C4 | C3 | H13 | 14.8° | 120.0° |
| O | C4 | C3 | H12 | 133.6° | 120.0° |
| C4 | N3 | C5 | H14 | 180.0° | 179.9° |
| C4 | N3 | C5 | C6 | 92.9° | 180.0° |
| C4 | N3 | C5 | H15 | 146.6° | 60.0° |
| C4 | N3 | C5 | H16 | 27.5° | 59.9° |
| N3 | C4 | C3 | H13 | 164.6° | 60.0° |
| N3 | C4 | C3 | H12 | 45.8° | 60.0° |
| N3 | C5 | C6 | H15 | 120.5° | 120.0° |
| N3 | C5 | C6 | H16 | 120.5° | 120.0° |
| N3 | C5 | C6 | O1 | 70.5° | 67.2° |
| N3 | C5 | C6 | C9 | 170.0° | 175.0° |
| N3 | C5 | H15 | H16 | 118.5° | 120.0° |
| N3 | C5 | C6 | H | 48.3° | 54.0° |
| C5 | C6 | O1 | C9 | 125.5° | 119.4° |
| C5 | C6 | O1 | H | 118.2° | 121.1° |
| C5 | C6 | O1 | C7 | 127.3° | 146.0° |
| C5 | C6 | C9 | C8 | 98.0° | 121.5° |
| C5 | C6 | C9 | H | 121.7° | 121.0° |
| C5 | C6 | C9 | O3 | 144.3° | 119.9° |
| C5 | C6 | C9 | H19 | 19.8° | 2.8° |
| C6 | C5 | H15 | H16 | 118.6° | 120.0° |
| C6 | C5 | N3 | H14 | 87.1° | 0.1° |
| C6 | O1 | C7 | C8 | 26.5° | 40.0° |
| O1 | C6 | C9 | C8 | 23.2° | 2.0° |
| O1 | C6 | C9 | H | 117.0° | 119.6° |
| O1 | C6 | C9 | O3 | 94.5° | 120.7° |
| C6 | O1 | C7 | N4 | 152.5° | 158.6° |
| C6 | O1 | C7 | H1 | 88.7° | 78.5° |
| O1 | C6 | C9 | H19 | 141.0° | 116.7° |
| O1 | C6 | C5 | H15 | 49.9° | 172.9° |
| O1 | C6 | C5 | H16 | 169.0° | 52.9° |
| O1 | C7 | C8 | N4 | 122.1° | 118.6° |
| O1 | C7 | C8 | H1 | 116.2° | 118.5° |
| O1 | C7 | C8 | O2 | 157.3° | 155.2° |
| O1 | C7 | C8 | C9 | 39.8° | 37.0° |
| C7 | O1 | C6 | C9 | 1.8° | 26.5° |
| O1 | C7 | N4 | H1 | 119.1° | 123.0° |
| O1 | C7 | N4 | C10 | 63.1° | 39.1° |
| O1 | C7 | N4 | C14 | 119.5° | 141.2° |
| O1 | C7 | C8 | H17 | 77.3° | 81.1° |
| C7 | O1 | C6 | H | 114.5° | 93.0° |
| C7 | C8 | O2 | C9 | 110.2° | 112.7° |
| C7 | C8 | O2 | H17 | 124.5° | 123.7° |
| C7 | C8 | C9 | H17 | 117.2° | 118.2° |
| C7 | C8 | C9 | C6 | 37.2° | 20.9° |
| C7 | C8 | C9 | O3 | 80.5° | 97.8° |
| C8 | C7 | N4 | H1 | 121.2° | 122.9° |
| C8 | C7 | N4 | C10 | 56.6° | 75.0° |
| C8 | C7 | N4 | C14 | 120.8° | 104.7° |
| C7 | C8 | C9 | H19 | 155.0° | 139.5° |
| C7 | C8 | O2 | H18 | 180.0° | 180.0° |
| O2 | C8 | C9 | H17 | 126.2° | 123.6° |
| O2 | C8 | C9 | C6 | 153.9° | 139.1° |
| O2 | C8 | C9 | O3 | 36.1° | 20.5° |
| O2 | C8 | C7 | N4 | 80.6° | 86.2° |
| O2 | C8 | C7 | H1 | 41.1° | 36.7° |
| O2 | C8 | C9 | H19 | 88.3° | 102.2° |
| C8 | C9 | C6 | O3 | 117.7° | 118.7° |
| C8 | C9 | C6 | H19 | 117.8° | 118.7° |
| C8 | C9 | O3 | H19 | 123.5° | 122.7° |
| C9 | C8 | C7 | N4 | 161.9° | 155.6° |
| C9 | C8 | C7 | H1 | 76.5° | 81.5° |
| C8 | C9 | C6 | H | 140.2° | 117.5° |
| C8 | C9 | O3 | H20 | 180.0° | 61.4° |
| C9 | C8 | O2 | H18 | 69.8° | 67.3° |
| C6 | C9 | O3 | H19 | 123.6° | 122.6° |
| C6 | C9 | C8 | H17 | 79.9° | 97.3° |
| C9 | C6 | C5 | H15 | 69.6° | 55.0° |
| C9 | C6 | C5 | H16 | 49.5° | 65.0° |
| C6 | C9 | O3 | H20 | 67.1° | 176.2° |
| O3 | C9 | C8 | H17 | 162.3° | 144.0° |
| O3 | C9 | C6 | H | 22.5° | 1.1° |
| C7 | N4 | C10 | C14 | 177.8° | 179.8° |
| C7 | N4 | C10 | N5 | 176.2° | 180.0° |
| C7 | N4 | C14 | N8 | 5.1° | 0.2° |
| C7 | N4 | C14 | C11 | 177.0° | 180.0° |
| C7 | N4 | C10 | C15 | 7.8° | 0.1° |
| N4 | C7 | C8 | H17 | 44.8° | 37.5° |
| N4 | C10 | N5 | C15 | 175.9° | 179.9° |
| N4 | C10 | N5 | C11 | 1.5° | 0.1° |
| C10 | N4 | C14 | N8 | 177.1° | 180.0° |
| C10 | N4 | C14 | C11 | 0.9° | 0.2° |
| N4 | C10 | C15 | C16 | 136.5° | 147.5° |
| C10 | N4 | C7 | H1 | 177.8° | 162.1° |
| C10 | N5 | C11 | C12 | 176.6° | 179.8° |
| N5 | C10 | N4 | C14 | 1.6° | 0.2° |
| C10 | N5 | C11 | C14 | 0.9° | 0.0° |
| N5 | C10 | C15 | C16 | 39.0° | 32.6° |
| N5 | C11 | C12 | C14 | 177.4° | 179.8° |
| N5 | C11 | C12 | N6 | 0.6° | 0.2° |
| N5 | C11 | C12 | N7 | 177.6° | 179.8° |
| N5 | C11 | C14 | N8 | 177.9° | 180.0° |
| N5 | C11 | C14 | N4 | 0.0° | 0.2° |
| C11 | N5 | C10 | C15 | 174.4° | 179.8° |
| C11 | C12 | N6 | N7 | 178.2° | 180.0° |
| C11 | C12 | N7 | C13 | 0.3° | 0.3° |
| C12 | C11 | C14 | N8 | 0.0° | 0.2° |
| C12 | C11 | C14 | N4 | 177.9° | 180.0° |
| C11 | C12 | N6 | H21 | 178.2° | 0.0° |
| C11 | C12 | N6 | H22 | 58.2° | 180.0° |
| N6 | C12 | N7 | C13 | 177.9° | 179.7° |
| N6 | C12 | C11 | C14 | 177.9° | 180.0° |
| C12 | N6 | H21 | H22 | 120.0° | 179.9° |
| C12 | N7 | C13 | N8 | 0.3° | 0.5° |
| N7 | C12 | C11 | C14 | 0.2° | 0.0° |
| C12 | N7 | C13 | H23 | 179.7° | 179.8° |
| N7 | C12 | N6 | H21 | 0.0° | 180.0° |
| N7 | C12 | N6 | H22 | 120.0° | 0.0° |
| N7 | C13 | N8 | H23 | 180.0° | 179.6° |
| N7 | C13 | N8 | C14 | 0.1° | 0.4° |
| C13 | N8 | C14 | N4 | 177.6° | 179.7° |
| C13 | N8 | C14 | C11 | 0.0° | 0.0° |
| N8 | C14 | N4 | C11 | 178.0° | 179.8° |
| C14 | N8 | C13 | H23 | 179.9° | 180.0° |
| C14 | N4 | C10 | C15 | 174.4° | 179.7° |
| C14 | N4 | C7 | H1 | 0.4° | 18.2° |
| C10 | C15 | C16 | C17 | 29.5° | 152.9° |
| C15 | C16 | C17 | O4 | 39.2° | 174.5° |
| C15 | C16 | C17 | H24 | 159.5° | 54.6° |
| C15 | C16 | C17 | H25 | 81.1° | 65.4° |
| C16 | C17 | O4 | H24 | 120.3° | 119.9° |
| C16 | C17 | O4 | H25 | 120.3° | 120.0° |
| C16 | C17 | O4 | C18 | 87.5° | 180.0° |
| C16 | C17 | H24 | H25 | 119.1° | 120.0° |
| C17 | O4 | C18 | C19 | 96.1° | 180.0° |
| O4 | C17 | H24 | H25 | 119.0° | 120.0° |
| C17 | O4 | C18 | H27 | 143.9° | 60.0° |
| C17 | O4 | C18 | H26 | 24.0° | 60.0° |
| O4 | C18 | C19 | H27 | 120.0° | 120.0° |
| O4 | C18 | C19 | H26 | 120.1° | 120.0° |
| O4 | C18 | C19 | O5 | 58.4° | 66.5° |
| O4 | C18 | C19 | C22 | 175.6° | 175.7° |
| C18 | O4 | C17 | H24 | 152.2° | 60.1° |
| C18 | O4 | C17 | H25 | 32.8° | 59.9° |
| O4 | C18 | H27 | H26 | 119.9° | 119.9° |
| O4 | C18 | C19 | H2 | 61.7° | 54.5° |
| C18 | C19 | O5 | C22 | 124.6° | 119.4° |
| C18 | C19 | O5 | H2 | 119.5° | 121.0° |
| C18 | C19 | O5 | C20 | 161.8° | 145.9° |
| C18 | C19 | C22 | C21 | 157.2° | 121.4° |
| C18 | C19 | C22 | H2 | 122.8° | 121.1° |
| C18 | C19 | C22 | O7 | 83.7° | 119.9° |
| C19 | C18 | H27 | H26 | 119.9° | 120.0° |
| C18 | C19 | C22 | H30 | 40.9° | 2.8° |
| C19 | O5 | C20 | C21 | 22.0° | 40.1° |
| O5 | C19 | C22 | C21 | 36.8° | 2.0° |
| O5 | C19 | C22 | H2 | 116.7° | 119.5° |
| O5 | C19 | C22 | O7 | 155.9° | 120.7° |
| C19 | O5 | C20 | N9 | 146.0° | 158.6° |
| O5 | C19 | C18 | H27 | 61.7° | 53.5° |
| O5 | C19 | C18 | H26 | 178.4° | 173.6° |
| C19 | O5 | C20 | H3 | 95.0° | 78.4° |
| O5 | C19 | C22 | H30 | 79.6° | 116.6° |
| O5 | C20 | C21 | N9 | 121.1° | 118.5° |
| O5 | C20 | C21 | H3 | 118.0° | 118.5° |
| O5 | C20 | C21 | O6 | 117.8° | 155.2° |
| O5 | C20 | C21 | C22 | 1.9° | 37.0° |
| C20 | O5 | C19 | C22 | 37.1° | 26.5° |
| O5 | C20 | N9 | H3 | 119.3° | 123.0° |
| O5 | C20 | N9 | C23 | 67.6° | 23.9° |
| O5 | C20 | N9 | C27 | 115.7° | 156.4° |
| C20 | O5 | C19 | H2 | 78.8° | 93.1° |
| O5 | C20 | C21 | H28 | 119.1° | 81.2° |
| C20 | C21 | O6 | C22 | 114.6° | 112.7° |
| C20 | C21 | O6 | H28 | 122.1° | 123.6° |
| C20 | C21 | C22 | H28 | 117.1° | 118.2° |
| C20 | C21 | C22 | C19 | 23.2° | 20.9° |
| C20 | C21 | C22 | O7 | 144.1° | 97.8° |
| C21 | C20 | N9 | H3 | 120.3° | 123.0° |
| C21 | C20 | N9 | C23 | 52.8° | 90.2° |
| C21 | C20 | N9 | C27 | 123.9° | 89.5° |
| C20 | C21 | C22 | H30 | 93.2° | 139.6° |
| C20 | C21 | O6 | H29 | 180.0° | 180.0° |
| O6 | C21 | C22 | H28 | 124.3° | 123.6° |
| O6 | C21 | C22 | C19 | 95.4° | 139.1° |
| O6 | C21 | C22 | O7 | 25.5° | 20.4° |
| O6 | C21 | C20 | N9 | 121.1° | 86.3° |
| O6 | C21 | C20 | H3 | 0.2° | 36.8° |
| O6 | C21 | C22 | H30 | 148.2° | 102.3° |
| C21 | C22 | C19 | O7 | 119.1° | 118.7° |
| C21 | C22 | C19 | H30 | 116.4° | 118.6° |
| C21 | C22 | O7 | H30 | 121.8° | 122.6° |
| C22 | C21 | C20 | N9 | 119.2° | 155.5° |
| C21 | C22 | C19 | H2 | 79.9° | 117.5° |
| C22 | C21 | C20 | H3 | 120.0° | 81.4° |
| C22 | C21 | O6 | H29 | 65.4° | 67.3° |
| C21 | C22 | O7 | H31 | 180.0° | 61.4° |
| C19 | C22 | O7 | H30 | 123.8° | 122.6° |
| C22 | C19 | C18 | H27 | 55.5° | 64.3° |
| C22 | C19 | C18 | H26 | 64.4° | 55.7° |
| C19 | C22 | C21 | H28 | 140.3° | 97.3° |
| C19 | C22 | O7 | H31 | 65.6° | 176.2° |
| O7 | C22 | C19 | H2 | 39.2° | 1.2° |
| O7 | C22 | C21 | H28 | 98.8° | 144.0° |
| C20 | N9 | C23 | C27 | 177.3° | 179.8° |
| C20 | N9 | C23 | N10 | 177.0° | 179.7° |
| C20 | N9 | C27 | N13 | 2.6° | 0.0° |
| C20 | N9 | C27 | C24 | 177.0° | 180.0° |
| N9 | C20 | C21 | H28 | 2.0° | 37.3° |
| C20 | N9 | C23 | H32 | 3.0° | 0.0° |
| N9 | C23 | N10 | H32 | 180.0° | 179.7° |
| N9 | C23 | N10 | C24 | 0.1° | 0.3° |
| C23 | N9 | C27 | N13 | 179.9° | 179.8° |
| C23 | N9 | C27 | C24 | 0.3° | 0.2° |
| C23 | N9 | C20 | H3 | 173.1° | 146.8° |
| C23 | N10 | C24 | C25 | 179.4° | 180.0° |
| N10 | C23 | N9 | C27 | 0.3° | 0.1° |
| C23 | N10 | C24 | C27 | 0.1° | 0.4° |
| N10 | C24 | C25 | C27 | 179.5° | 179.5° |
| N10 | C24 | C25 | N11 | 0.3° | 0.4° |
| N10 | C24 | C25 | N12 | 179.6° | 179.5° |
| N10 | C24 | C27 | N13 | 179.8° | 179.6° |
| N10 | C24 | C27 | N9 | 0.3° | 0.4° |
| C24 | N10 | C23 | H32 | 179.9° | 180.0° |
| C24 | C25 | N11 | N12 | 179.3° | 179.9° |
| C24 | C25 | N12 | C26 | 0.0° | 0.0° |
| C25 | C24 | C27 | N13 | 0.3° | 0.0° |
| C25 | C24 | C27 | N9 | 179.3° | 180.0° |
| C24 | C25 | N11 | H33 | 179.3° | 0.1° |
| C24 | C25 | N11 | H34 | 60.6° | 180.0° |
| N11 | C25 | N12 | C26 | 179.4° | 179.9° |
| N11 | C25 | C24 | C27 | 179.2° | 180.0° |
| C25 | N11 | H33 | H34 | 120.0° | 179.9° |
| C25 | N12 | C26 | N13 | 0.1° | 0.1° |
| N12 | C25 | C24 | C27 | 0.2° | 0.1° |
| C25 | N12 | C26 | H35 | 179.9° | 180.0° |
| N12 | C25 | N11 | H33 | 0.0° | 180.0° |
| N12 | C25 | N11 | H34 | 120.0° | 0.1° |
| N12 | C26 | N13 | H35 | 180.0° | 179.9° |
| N12 | C26 | N13 | C27 | 0.1° | 0.1° |
| C26 | N13 | C27 | N9 | 179.3° | 179.9° |
| C26 | N13 | C27 | C24 | 0.2° | 0.0° |
| N13 | C27 | N9 | C24 | 179.5° | 180.0° |
| C27 | N13 | C26 | H35 | 180.0° | 180.0° |
| C27 | N9 | C20 | H3 | 3.7° | 33.5° |
| C27 | N9 | C23 | H32 | 179.7° | 179.7° |
| H1 | C7 | C8 | H17 | 166.5° | 160.4° |
| H17 | C8 | C9 | H19 | 37.9° | 21.3° |
| H17 | C8 | O2 | H18 | 55.4° | 56.3° |
| H7 | N2 | C1 | H9 | 36.2° | 120.0° |
| H7 | N2 | C1 | H8 | 155.1° | 120.0° |
| H19 | C9 | C6 | H | 102.0° | 123.8° |
| H19 | C9 | O3 | H20 | 56.5° | 61.2° |
| H9 | C1 | C2 | H10 | 177.3° | 180.0° |
| H9 | C1 | C2 | H11 | 58.3° | 60.1° |
| H8 | C1 | C2 | H10 | 63.7° | 60.1° |
| H8 | C1 | C2 | H11 | 177.3° | 180.0° |
| H15 | C5 | C6 | H | 168.8° | 66.0° |
| H15 | C5 | N3 | H14 | 33.4° | 120.1° |
| H16 | C5 | C6 | H | 72.2° | 174.0° |
| H16 | C5 | N3 | H14 | 152.5° | 120.0° |
| H13 | C3 | C2 | H10 | 162.6° | 60.0° |
| H13 | C3 | C2 | H11 | 43.6° | 180.0° |
| H12 | C3 | C2 | H10 | 78.6° | 180.0° |
| H12 | C3 | C2 | H11 | 162.4° | 60.0° |
| H27 | C18 | C19 | H2 | 178.3° | 174.5° |
| H26 | C18 | C19 | H2 | 58.4° | 65.4° |
| H2 | C19 | C22 | H30 | 163.7° | 123.9° |
| H3 | C20 | C21 | H28 | 122.9° | 160.3° |
| H28 | C21 | C22 | H30 | 23.9° | 21.3° |
| H28 | C21 | O6 | H29 | 57.9° | 56.4° |
| H30 | C22 | O7 | H31 | 58.2° | 61.2° |
