KHX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.38Å | 1.34Å | |
| N4 | C4 | sing | 1.35Å | 1.38Å | Aromatic |
| N4 | C3 | doub | 1.30Å | 1.31Å | Aromatic |
| C | C4 | doub | 1.41Å | 1.41Å | Aromatic |
| C | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | C2 | sing | 1.41Å | 1.38Å | Aromatic |
| C3 | N3 | sing | 1.36Å | 1.37Å | Aromatic |
| N1 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| C27 | O7 | sing | 1.43Å | 1.42Å | |
| C27 | C26 | sing | 1.55Å | 1.53Å | |
| C27 | C5 | sing | 1.54Å | 1.54Å | |
| O6 | C26 | sing | 1.43Å | 1.42Å | |
| C2 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| N3 | C5 | sing | 1.47Å | 1.45Å | |
| C26 | C6 | sing | 1.54Å | 1.52Å | |
| C1 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | O | sing | 1.45Å | 1.42Å | |
| C6 | O | sing | 1.44Å | 1.44Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| O1 | C10 | doub | 1.21Å | 1.23Å | |
| C7 | N5 | sing | 1.49Å | 1.47Å | |
| N10 | C20 | sing | 1.39Å | 1.34Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | N6 | sing | 1.36Å | 1.33Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C20 | N11 | doub | 1.32Å | 1.35Å | Aromatic |
| C20 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | N6 | sing | 1.48Å | 1.46Å | |
| C9 | C8 | sing | 1.52Å | 1.51Å | |
| N5 | C8 | sing | 1.48Å | 1.47Å | |
| N5 | C25 | sing | 1.49Å | 1.46Å | |
| N11 | C21 | sing | 1.32Å | 1.34Å | Aromatic |
| N9 | C19 | sing | 1.35Å | 1.39Å | Aromatic |
| N9 | C18 | doub | 1.31Å | 1.32Å | Aromatic |
| C19 | C22 | doub | 1.40Å | 1.38Å | Aromatic |
| N7 | C12 | sing | 1.37Å | 1.33Å | |
| N7 | C13 | sing | 1.48Å | 1.46Å | |
| C12 | O2 | doub | 1.22Å | 1.23Å | |
| C21 | N12 | doub | 1.32Å | 1.33Å | Aromatic |
| C25 | C24 | sing | 1.48Å | 1.47Å | |
| C18 | C23 | sing | 1.44Å | 1.42Å | |
| C18 | N8 | sing | 1.37Å | 1.37Å | Aromatic |
| C24 | C23 | trip | 1.20Å | 1.19Å | |
| C22 | N12 | sing | 1.33Å | 1.34Å | Aromatic |
| C22 | N8 | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | C15 | sing | 1.44Å | 1.42Å | |
| O3 | C14 | sing | 1.44Å | 1.45Å | |
| N8 | C15 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | sing | 1.52Å | 1.52Å | |
| C15 | C16 | sing | 1.54Å | 1.53Å | |
| C14 | C17 | sing | 1.54Å | 1.53Å | |
| C16 | C17 | sing | 1.55Å | 1.53Å | |
| C16 | O4 | sing | 1.43Å | 1.42Å | |
| C17 | O5 | sing | 1.43Å | 1.42Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.10Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.10Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| O5 | H8 | sing | 0.97Å | 0.95Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| O4 | H11 | sing | 0.97Å | 0.95Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.08Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.10Å | 1.10Å | |
| C14 | H19 | sing | 1.10Å | 1.10Å | |
| C15 | H20 | sing | 1.10Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| N10 | H28 | sing | 0.97Å | 1.00Å | |
| N10 | H29 | sing | 0.97Å | 1.00Å | |
| N6 | H31 | sing | 0.97Å | 1.00Å | |
| N7 | H32 | sing | 0.97Å | 1.00Å | |
| O6 | H33 | sing | 0.97Å | 0.95Å | |
| O7 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C4 | 123.7° | 120.7° |
| N | C | N1 | 118.5° | 120.8° |
| C | N | H13 | 109.5° | 120.0° |
| C | N | H14 | 109.5° | 119.9° |
| C4 | N4 | C3 | 103.7° | 109.4° |
| N4 | C4 | C | 132.4° | 134.7° |
| N4 | C4 | C2 | 110.8° | 107.1° |
| N4 | C3 | N3 | 114.4° | 110.0° |
| N4 | C3 | H12 | 122.8° | 125.0° |
| C4 | C | N1 | 117.7° | 118.4° |
| C | C4 | C2 | 116.7° | 118.2° |
| C | N1 | C1 | 118.8° | 121.2° |
| C4 | C2 | N3 | 105.9° | 106.0° |
| C4 | C2 | N2 | 127.0° | 119.1° |
| C3 | N3 | C2 | 105.2° | 107.4° |
| C3 | N3 | C5 | 127.4° | 126.2° |
| N3 | C3 | H12 | 122.8° | 125.0° |
| N1 | C1 | N2 | 128.8° | 122.4° |
| N1 | C1 | H7 | 115.6° | 118.8° |
| O7 | C27 | C26 | 111.7° | 110.5° |
| O7 | C27 | C5 | 111.3° | 110.5° |
| O7 | C27 | H27 | 111.2° | 110.5° |
| C27 | O7 | H34 | 109.5° | 114.0° |
| C26 | C27 | C5 | 103.2° | 104.0° |
| C27 | C26 | O6 | 111.9° | 110.6° |
| C27 | C26 | C6 | 102.4° | 104.1° |
| C27 | C26 | H26 | 109.6° | 110.5° |
| C26 | C27 | H27 | 109.6° | 110.5° |
| C27 | C5 | N3 | 113.9° | 110.5° |
| C27 | C5 | O | 107.5° | 104.8° |
| C27 | C5 | H9 | 107.9° | 110.4° |
| C5 | C27 | H27 | 109.5° | 110.7° |
| O6 | C26 | C6 | 111.6° | 110.6° |
| O6 | C26 | H26 | 111.2° | 110.5° |
| C26 | O6 | H33 | 109.5° | 114.1° |
| N3 | C2 | N2 | 127.0° | 134.9° |
| C2 | N3 | C5 | 127.3° | 126.3° |
| C2 | N2 | C1 | 111.0° | 120.7° |
| N3 | C5 | O | 108.8° | 110.4° |
| N3 | C5 | H9 | 109.0° | 110.3° |
| C26 | C6 | O | 103.5° | 104.8° |
| C26 | C6 | C7 | 115.7° | 110.4° |
| C26 | C6 | H10 | 108.9° | 110.4° |
| C6 | C26 | H26 | 109.8° | 110.5° |
| N2 | C1 | H7 | 115.6° | 118.8° |
| C5 | O | C6 | 107.6° | 105.2° |
| O | C5 | H9 | 109.6° | 110.3° |
| O | C6 | C7 | 109.7° | 110.4° |
| O | C6 | H10 | 109.9° | 110.4° |
| C6 | C7 | N5 | 113.1° | 109.4° |
| C6 | C7 | H1 | 108.6° | 109.4° |
| C6 | C7 | H2 | 108.5° | 109.5° |
| C7 | C6 | H10 | 108.9° | 110.4° |
| O1 | C10 | C11 | 120.9° | 119.4° |
| O1 | C10 | N6 | 123.0° | 122.0° |
| C7 | N5 | C8 | 111.8° | 108.8° |
| C7 | N5 | C25 | 115.0° | 107.9° |
| N5 | C7 | H1 | 108.5° | 109.5° |
| N5 | C7 | H2 | 108.6° | 109.5° |
| N10 | C20 | N11 | 118.5° | 120.7° |
| N10 | C20 | C19 | 124.0° | 121.2° |
| C20 | N10 | H28 | 109.5° | 120.0° |
| C20 | N10 | H29 | 109.5° | 120.0° |
| C11 | C10 | N6 | 116.1° | 118.5° |
| C10 | C11 | C12 | 112.7° | 107.1° |
| C10 | C11 | H15 | 108.7° | 108.6° |
| C10 | C11 | H16 | 108.7° | 110.3° |
| C10 | N6 | C9 | 122.6° | 114.5° |
| C10 | N6 | H31 | 118.7° | 121.9° |
| C11 | C12 | N7 | 116.2° | 119.6° |
| C11 | C12 | O2 | 121.0° | 120.3° |
| C12 | C11 | H15 | 108.6° | 109.5° |
| C12 | C11 | H16 | 108.7° | 110.6° |
| N11 | C20 | C19 | 117.5° | 118.1° |
| C20 | N11 | C21 | 118.9° | 122.4° |
| C20 | C19 | N9 | 131.8° | 134.9° |
| C20 | C19 | C22 | 117.2° | 117.6° |
| N6 | C9 | C8 | 111.3° | 109.9° |
| N6 | C9 | H5 | 109.0° | 108.2° |
| N6 | C9 | H6 | 109.0° | 109.6° |
| C9 | N6 | H31 | 118.7° | 123.6° |
| C9 | C8 | N5 | 112.9° | 112.3° |
| C9 | C8 | H3 | 108.6° | 109.3° |
| C9 | C8 | H4 | 108.6° | 110.3° |
| C8 | C9 | H5 | 109.0° | 108.9° |
| C8 | C9 | H6 | 109.0° | 112.0° |
| C8 | N5 | C25 | 111.0° | 107.9° |
| N5 | C8 | H3 | 108.6° | 107.4° |
| N5 | C8 | H4 | 108.6° | 108.6° |
| N5 | C25 | C24 | 114.7° | 108.4° |
| N5 | C25 | H24 | 108.2° | 107.9° |
| N5 | C25 | H25 | 108.2° | 110.1° |
| N11 | C21 | N12 | 128.8° | 121.6° |
| N11 | C21 | H23 | 115.6° | 119.1° |
| C19 | N9 | C18 | 103.5° | 109.5° |
| N9 | C19 | C22 | 111.0° | 107.4° |
| N9 | C18 | C23 | 124.5° | 125.9° |
| N9 | C18 | N8 | 113.8° | 109.6° |
| C19 | C22 | N12 | 126.5° | 119.9° |
| C19 | C22 | N8 | 105.9° | 106.2° |
| C12 | N7 | C13 | 122.8° | 113.4° |
| N7 | C12 | O2 | 122.7° | 120.2° |
| C12 | N7 | H32 | 118.6° | 122.4° |
| N7 | C13 | C14 | 113.0° | 110.8° |
| N7 | C13 | H17 | 108.6° | 109.6° |
| N7 | C13 | H18 | 108.6° | 109.0° |
| C13 | N7 | H32 | 118.6° | 124.2° |
| C21 | N12 | C22 | 111.2° | 120.4° |
| N12 | C21 | H23 | 115.6° | 119.3° |
| C25 | C24 | C23 | 175.4° | 158.0° |
| C24 | C25 | H24 | 108.2° | 109.5° |
| C24 | C25 | H25 | 108.1° | 111.1° |
| C23 | C18 | N8 | 121.7° | 124.5° |
| C18 | C23 | C24 | 166.8° | 158.3° |
| C18 | N8 | C22 | 105.8° | 107.1° |
| C18 | N8 | C15 | 127.7° | 127.9° |
| N12 | C22 | N8 | 127.6° | 133.8° |
| C22 | N8 | C15 | 126.4° | 125.0° |
| C15 | O3 | C14 | 109.1° | 108.7° |
| O3 | C15 | N8 | 109.1° | 112.5° |
| O3 | C15 | C16 | 105.5° | 107.5° |
| O3 | C15 | H20 | 109.2° | 108.7° |
| O3 | C14 | C13 | 107.4° | 111.0° |
| O3 | C14 | C17 | 105.8° | 105.8° |
| O3 | C14 | H19 | 110.0° | 109.2° |
| N8 | C15 | C16 | 116.3° | 110.4° |
| N8 | C15 | H20 | 108.7° | 108.8° |
| C13 | C14 | C17 | 115.7° | 111.4° |
| C14 | C13 | H17 | 108.6° | 109.7° |
| C14 | C13 | H18 | 108.6° | 109.3° |
| C13 | C14 | H19 | 109.0° | 110.0° |
| C15 | C16 | C17 | 99.6° | 104.2° |
| C15 | C16 | O4 | 112.0° | 110.3° |
| C16 | C15 | H20 | 107.8° | 108.9° |
| C15 | C16 | H21 | 110.2° | 110.9° |
| C14 | C17 | C16 | 102.3° | 105.3° |
| C14 | C17 | O5 | 111.2° | 110.1° |
| C17 | C14 | H19 | 108.8° | 109.3° |
| C14 | C17 | H22 | 110.3° | 111.1° |
| C17 | C16 | O4 | 112.6° | 110.2° |
| C16 | C17 | O5 | 110.4° | 109.7° |
| C17 | C16 | H21 | 110.1° | 110.8° |
| C16 | C17 | H22 | 110.4° | 109.8° |
| C16 | O4 | H11 | 109.5° | 114.0° |
| O4 | C16 | H21 | 111.7° | 110.3° |
| C17 | O5 | H8 | 109.5° | 114.0° |
| O5 | C17 | H22 | 111.9° | 110.7° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 108.7° |
| H5 | C9 | H6 | 109.5° | 108.2° |
| H13 | N | H14 | 109.4° | 120.0° |
| H15 | C11 | H16 | 109.5° | 110.6° |
| H17 | C13 | H18 | 109.5° | 108.5° |
| H24 | C25 | H25 | 109.4° | 109.8° |
| H28 | N10 | H29 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C4 | N4 | 0.2° | 0.1° |
| N | C | C4 | N1 | 178.6° | 180.0° |
| N | C | C4 | C2 | 178.3° | 179.9° |
| N | C | N1 | C1 | 178.7° | 179.9° |
| C | N | H13 | H14 | 120.0° | 179.9° |
| N4 | C4 | C | C2 | 178.1° | 179.9° |
| N4 | C4 | C | N1 | 178.4° | 180.0° |
| C4 | N4 | C3 | N3 | 0.1° | 0.0° |
| N4 | C4 | C2 | N3 | 0.7° | 0.1° |
| N4 | C4 | C2 | N2 | 179.2° | 180.0° |
| C4 | N4 | C3 | H12 | 179.9° | 179.9° |
| C3 | N4 | C4 | C | 177.8° | 179.9° |
| C3 | N4 | C4 | C2 | 0.4° | 0.1° |
| N4 | C3 | N3 | H12 | 180.0° | 180.0° |
| N4 | C3 | N3 | C2 | 0.5° | 0.0° |
| N4 | C3 | N3 | C5 | 176.7° | 180.0° |
| C4 | C | N1 | C1 | 0.0° | 0.1° |
| C | C4 | C2 | N3 | 177.8° | 180.0° |
| C | C4 | C2 | N2 | 0.7° | 0.1° |
| C4 | C | N | H13 | 178.6° | 0.0° |
| C4 | C | N | H14 | 61.4° | 180.0° |
| N1 | C | C4 | C2 | 0.4° | 0.1° |
| C | N1 | C1 | N2 | 0.2° | 0.1° |
| C | N1 | C1 | H7 | 179.8° | 180.0° |
| N1 | C | N | H13 | 0.0° | 179.9° |
| N1 | C | N | H14 | 120.0° | 0.0° |
| C4 | C2 | N3 | C3 | 0.7° | 0.1° |
| C4 | C2 | N3 | N2 | 178.5° | 179.9° |
| C4 | C2 | N3 | C5 | 176.5° | 180.0° |
| C4 | C2 | N2 | C1 | 0.6° | 0.1° |
| C3 | N3 | C5 | C27 | 59.1° | 89.3° |
| C3 | N3 | C2 | C5 | 177.2° | 180.0° |
| C3 | N3 | C2 | N2 | 179.2° | 180.0° |
| C3 | N3 | C5 | O | 60.8° | 26.2° |
| C3 | N3 | C5 | H9 | 179.7° | 148.4° |
| N1 | C1 | N2 | C2 | 0.1° | 0.1° |
| N1 | C1 | N2 | H7 | 180.0° | 179.9° |
| O7 | C27 | C26 | C5 | 119.7° | 118.6° |
| O7 | C27 | C26 | H27 | 123.7° | 122.6° |
| O7 | C27 | C5 | H27 | 123.4° | 122.7° |
| O7 | C27 | C26 | O6 | 24.9° | 0.1° |
| O7 | C27 | C5 | N3 | 122.5° | 98.5° |
| O7 | C27 | C26 | C6 | 94.7° | 118.7° |
| O7 | C27 | C5 | O | 116.8° | 142.6° |
| O7 | C27 | C5 | H9 | 1.3° | 23.8° |
| O7 | C27 | C26 | H26 | 148.7° | 122.7° |
| C26 | C27 | C5 | H27 | 116.7° | 118.7° |
| C27 | C26 | O6 | C6 | 114.0° | 114.7° |
| C27 | C26 | O6 | H26 | 122.9° | 122.6° |
| C26 | C27 | C5 | N3 | 117.5° | 142.9° |
| C27 | C26 | C6 | H26 | 116.4° | 118.6° |
| C26 | C27 | C5 | O | 3.2° | 24.0° |
| C27 | C26 | C6 | O | 38.5° | 24.0° |
| C27 | C26 | C6 | C7 | 158.6° | 142.8° |
| C26 | C27 | C5 | H9 | 121.3° | 94.8° |
| C27 | C26 | C6 | H10 | 78.4° | 94.9° |
| C27 | C26 | O6 | H33 | 180.0° | 72.5° |
| C26 | C27 | O7 | H34 | 180.0° | 65.3° |
| C5 | C27 | C26 | O6 | 144.6° | 118.7° |
| C27 | C5 | N3 | C2 | 117.5° | 90.7° |
| C27 | C5 | N3 | O | 119.9° | 115.5° |
| C27 | C5 | N3 | H9 | 120.6° | 122.3° |
| C5 | C27 | C26 | C6 | 25.0° | 0.0° |
| C27 | C5 | O | H9 | 117.0° | 118.9° |
| C27 | C5 | O | C6 | 21.8° | 40.5° |
| C5 | C27 | C26 | H26 | 91.6° | 118.7° |
| C5 | C27 | O7 | H34 | 65.2° | 179.9° |
| O6 | C26 | C6 | H26 | 123.8° | 122.6° |
| O6 | C26 | C6 | O | 158.4° | 142.8° |
| O6 | C26 | C6 | C7 | 81.6° | 98.4° |
| O6 | C26 | C6 | H10 | 41.4° | 23.9° |
| O6 | C26 | C27 | H27 | 98.8° | 122.5° |
| N3 | C2 | N2 | C1 | 177.6° | 180.0° |
| C2 | N3 | C5 | O | 122.6° | 153.8° |
| C2 | N3 | C5 | H9 | 3.1° | 31.6° |
| C2 | N3 | C3 | H12 | 179.5° | 180.0° |
| N2 | C2 | N3 | C5 | 2.0° | 0.1° |
| C2 | N2 | C1 | H7 | 179.9° | 180.0° |
| N3 | C5 | O | H9 | 119.1° | 122.2° |
| N3 | C5 | O | C6 | 145.6° | 159.5° |
| C5 | N3 | C3 | H12 | 3.3° | 0.1° |
| N3 | C5 | C27 | H27 | 0.9° | 24.2° |
| C26 | C6 | O | C5 | 38.2° | 40.5° |
| C26 | C6 | O | C7 | 124.1° | 118.8° |
| C26 | C6 | O | H10 | 116.2° | 118.9° |
| C26 | C6 | C7 | H10 | 123.0° | 122.3° |
| C26 | C6 | C7 | N5 | 173.4° | 179.7° |
| C26 | C6 | C7 | H1 | 52.9° | 59.8° |
| C26 | C6 | C7 | H2 | 66.0° | 60.2° |
| C6 | C26 | C27 | H27 | 141.6° | 118.8° |
| C6 | C26 | O6 | H33 | 66.0° | 172.8° |
| C5 | O | C6 | C7 | 162.3° | 159.3° |
| C5 | O | C6 | H10 | 78.0° | 78.4° |
| O | C5 | C27 | H27 | 119.8° | 94.7° |
| O | C6 | C7 | H10 | 120.4° | 122.3° |
| O | C6 | C7 | N5 | 69.9° | 64.9° |
| O | C6 | C7 | H1 | 169.5° | 175.1° |
| O | C6 | C7 | H2 | 50.6° | 55.1° |
| C6 | O | C5 | H9 | 95.3° | 78.3° |
| O | C6 | C26 | H26 | 77.8° | 94.6° |
| C6 | C7 | N5 | H1 | 120.6° | 119.9° |
| C6 | C7 | N5 | H2 | 120.5° | 120.0° |
| C6 | C7 | N5 | C8 | 160.1° | 78.7° |
| C6 | C7 | N5 | C25 | 72.2° | 164.5° |
| C6 | C7 | H1 | H2 | 118.3° | 120.0° |
| C7 | C6 | C26 | H26 | 42.2° | 24.2° |
| O1 | C10 | C11 | N6 | 179.5° | 176.2° |
| O1 | C10 | C11 | C12 | 140.1° | 67.0° |
| O1 | C10 | N6 | C9 | 1.5° | 41.5° |
| O1 | C10 | C11 | H15 | 99.4° | 174.8° |
| O1 | C10 | C11 | H16 | 19.6° | 53.5° |
| O1 | C10 | N6 | H31 | 178.5° | 138.0° |
| C7 | N5 | C8 | C9 | 59.7° | 57.6° |
| C7 | N5 | C8 | C25 | 129.8° | 116.8° |
| C7 | N5 | C25 | C24 | 87.6° | 19.9° |
| N5 | C7 | H1 | H2 | 118.3° | 120.0° |
| C7 | N5 | C8 | H3 | 60.9° | 177.8° |
| C7 | N5 | C8 | H4 | 179.8° | 64.8° |
| N5 | C7 | C6 | H10 | 50.4° | 57.4° |
| C7 | N5 | C25 | H24 | 33.1° | 138.3° |
| C7 | N5 | C25 | H25 | 151.6° | 101.9° |
| N10 | C20 | N11 | C19 | 179.6° | 179.2° |
| N10 | C20 | N11 | C21 | 179.8° | 178.5° |
| N10 | C20 | C19 | N9 | 0.1° | 0.4° |
| N10 | C20 | C19 | C22 | 179.7° | 179.2° |
| C20 | N10 | H28 | H29 | 120.0° | 179.8° |
| C10 | C11 | C12 | H15 | 120.5° | 117.6° |
| C10 | C11 | C12 | H16 | 120.5° | 120.3° |
| C11 | C10 | N6 | C9 | 178.0° | 134.6° |
| C10 | C11 | C12 | N7 | 44.2° | 126.3° |
| C10 | C11 | C12 | O2 | 136.5° | 53.4° |
| C10 | C11 | H15 | H16 | 118.5° | 121.2° |
| C11 | C10 | N6 | H31 | 2.0° | 45.9° |
| N6 | C10 | C11 | C12 | 40.4° | 109.2° |
| C10 | N6 | C9 | H31 | 180.0° | 179.5° |
| C10 | N6 | C9 | C8 | 122.7° | 165.2° |
| C10 | N6 | C9 | H5 | 2.4° | 76.0° |
| C10 | N6 | C9 | H6 | 117.1° | 41.7° |
| N6 | C10 | C11 | H15 | 80.0° | 9.0° |
| N6 | C10 | C11 | H16 | 160.9° | 130.3° |
| C11 | C12 | N7 | O2 | 179.3° | 179.8° |
| C11 | C12 | N7 | C13 | 149.4° | 172.6° |
| C12 | C11 | H15 | H16 | 118.5° | 122.2° |
| C11 | C12 | N7 | H32 | 30.6° | 8.6° |
| N11 | C20 | C19 | N9 | 179.4° | 179.5° |
| N11 | C20 | C19 | C22 | 0.1° | 0.1° |
| C20 | N11 | C21 | N12 | 0.1° | 0.7° |
| C20 | N11 | C21 | H23 | 179.9° | 178.8° |
| N11 | C20 | N10 | H28 | 0.0° | 0.1° |
| N11 | C20 | N10 | H29 | 120.0° | 179.9° |
| C19 | C20 | N11 | C21 | 0.2° | 0.7° |
| C20 | C19 | N9 | C22 | 179.6° | 179.7° |
| C20 | C19 | N9 | C18 | 179.8° | 179.2° |
| C20 | C19 | C22 | N12 | 0.1° | 0.8° |
| C20 | C19 | C22 | N8 | 179.6° | 179.3° |
| C19 | C20 | N10 | H28 | 179.6° | 179.2° |
| C19 | C20 | N10 | H29 | 60.5° | 1.0° |
| N6 | C9 | C8 | H5 | 120.3° | 118.3° |
| N6 | C9 | C8 | H6 | 120.2° | 122.0° |
| N6 | C9 | C8 | N5 | 58.2° | 91.1° |
| N6 | C9 | C8 | H3 | 178.7° | 149.7° |
| N6 | C9 | C8 | H4 | 62.4° | 30.3° |
| N6 | C9 | H5 | H6 | 119.1° | 118.6° |
| C9 | C8 | N5 | H3 | 120.5° | 120.2° |
| C9 | C8 | N5 | H4 | 120.5° | 122.3° |
| C9 | C8 | N5 | C25 | 170.6° | 59.2° |
| C9 | C8 | H3 | H4 | 118.4° | 120.5° |
| C8 | C9 | H5 | H6 | 119.2° | 122.0° |
| C8 | C9 | N6 | H31 | 57.3° | 15.3° |
| C8 | N5 | C25 | C24 | 144.3° | 137.3° |
| C8 | N5 | C7 | H1 | 79.3° | 161.4° |
| C8 | N5 | C7 | H2 | 39.6° | 41.4° |
| N5 | C8 | H3 | H4 | 118.5° | 117.4° |
| N5 | C8 | C9 | H5 | 62.1° | 150.5° |
| N5 | C8 | C9 | H6 | 178.4° | 30.9° |
| C8 | N5 | C25 | H24 | 94.9° | 104.2° |
| C8 | N5 | C25 | H25 | 23.5° | 15.6° |
| N5 | C25 | C24 | H24 | 120.8° | 117.4° |
| N5 | C25 | C24 | H25 | 120.8° | 121.1° |
| N5 | C25 | C24 | C23 | 95.5° | 137.4° |
| C25 | N5 | C7 | H1 | 48.4° | 44.5° |
| C25 | N5 | C7 | H2 | 167.3° | 75.5° |
| C25 | N5 | C8 | H3 | 68.9° | 61.0° |
| C25 | N5 | C8 | H4 | 50.1° | 178.4° |
| N5 | C25 | H24 | H25 | 117.6° | 120.0° |
| N11 | C21 | N12 | H23 | 180.0° | 179.5° |
| N11 | C21 | N12 | C22 | 0.1° | 0.0° |
| C19 | N9 | C18 | C23 | 177.8° | 178.7° |
| C19 | N9 | C18 | N8 | 0.4° | 1.8° |
| N9 | C19 | C22 | N12 | 179.7° | 179.0° |
| N9 | C19 | C22 | N8 | 0.0° | 1.0° |
| C18 | N9 | C19 | C22 | 0.2° | 0.5° |
| N9 | C18 | C23 | N8 | 178.1° | 179.4° |
| N9 | C18 | C23 | C24 | 1.8° | 26.0° |
| N9 | C18 | N8 | C22 | 0.4° | 2.3° |
| N9 | C18 | N8 | C15 | 179.7° | 176.8° |
| C19 | C22 | N12 | C21 | 0.2° | 0.7° |
| C19 | C22 | N8 | C18 | 0.3° | 2.0° |
| C19 | C22 | N12 | N8 | 179.7° | 179.9° |
| C19 | C22 | N8 | C15 | 179.8° | 177.2° |
| C12 | N7 | C13 | H32 | 180.0° | 178.8° |
| C12 | N7 | C13 | C14 | 98.4° | 164.1° |
| N7 | C12 | C11 | H15 | 164.7° | 8.8° |
| N7 | C12 | C11 | H16 | 76.3° | 113.4° |
| C12 | N7 | C13 | H17 | 141.1° | 43.0° |
| C12 | N7 | C13 | H18 | 22.1° | 75.6° |
| C13 | N7 | C12 | O2 | 31.3° | 7.2° |
| N7 | C13 | C14 | O3 | 79.1° | 134.6° |
| N7 | C13 | C14 | H17 | 120.5° | 121.0° |
| N7 | C13 | C14 | H18 | 120.5° | 120.1° |
| N7 | C13 | C14 | C17 | 163.0° | 17.0° |
| N7 | C13 | H17 | H18 | 118.4° | 118.9° |
| N7 | C13 | C14 | H19 | 40.0° | 104.4° |
| O2 | C12 | C11 | H15 | 16.0° | 171.0° |
| O2 | C12 | C11 | H16 | 103.0° | 66.8° |
| O2 | C12 | N7 | H32 | 148.7° | 171.6° |
| C21 | N12 | C22 | N8 | 179.5° | 179.4° |
| C25 | C24 | C23 | C18 | 19.3° | 30.5° |
| C24 | C25 | H24 | H25 | 117.6° | 122.3° |
| C23 | C18 | N8 | C22 | 177.9° | 178.1° |
| C23 | C18 | N8 | C15 | 2.0° | 2.7° |
| N8 | C18 | C23 | C24 | 176.3° | 153.4° |
| C18 | N8 | C22 | N12 | 180.0° | 177.9° |
| C18 | N8 | C22 | C15 | 179.9° | 179.2° |
| C18 | N8 | C15 | O3 | 58.3° | 61.5° |
| C18 | N8 | C15 | C16 | 60.9° | 58.6° |
| C18 | N8 | C15 | H20 | 177.3° | 178.0° |
| C23 | C24 | C25 | H24 | 25.2° | 20.0° |
| C23 | C24 | C25 | H25 | 143.7° | 101.5° |
| N12 | C22 | N8 | C15 | 0.1° | 2.9° |
| C22 | N12 | C21 | H23 | 179.9° | 179.5° |
| C22 | N8 | C15 | O3 | 121.6° | 119.5° |
| C22 | N8 | C15 | C16 | 119.2° | 120.4° |
| C22 | N8 | C15 | H20 | 2.6° | 1.0° |
| O3 | C15 | N8 | C16 | 119.2° | 120.1° |
| O3 | C15 | N8 | H20 | 119.0° | 120.5° |
| C15 | O3 | C14 | C13 | 123.4° | 151.3° |
| O3 | C15 | C16 | H20 | 116.6° | 117.6° |
| C15 | O3 | C14 | C17 | 0.7° | 30.4° |
| O3 | C15 | C16 | C17 | 40.0° | 11.8° |
| O3 | C15 | C16 | O4 | 159.3° | 130.0° |
| C15 | O3 | C14 | H19 | 118.1° | 87.2° |
| O3 | C15 | C16 | H21 | 75.7° | 107.5° |
| C14 | O3 | C15 | N8 | 150.7° | 148.5° |
| O3 | C14 | C13 | C17 | 117.9° | 117.6° |
| O3 | C14 | C13 | H19 | 119.1° | 121.0° |
| C14 | O3 | C15 | C16 | 25.1° | 26.7° |
| O3 | C14 | C17 | H19 | 118.1° | 117.4° |
| O3 | C14 | C17 | C16 | 25.9° | 21.7° |
| O3 | C14 | C17 | O5 | 92.0° | 139.9° |
| O3 | C14 | C13 | H17 | 41.4° | 13.6° |
| O3 | C14 | C13 | H18 | 160.3° | 105.3° |
| C14 | O3 | C15 | H20 | 90.6° | 91.0° |
| O3 | C14 | C17 | H22 | 143.2° | 97.1° |
| N8 | C15 | C16 | H20 | 122.3° | 119.4° |
| N8 | C15 | C16 | C17 | 161.1° | 134.8° |
| N8 | C15 | C16 | O4 | 79.6° | 107.0° |
| N8 | C15 | C16 | H21 | 45.4° | 15.5° |
| C13 | C14 | C17 | H19 | 123.1° | 121.8° |
| C13 | C14 | C17 | C16 | 92.9° | 142.4° |
| C13 | C14 | C17 | O5 | 149.3° | 99.4° |
| C14 | C13 | H17 | H18 | 118.3° | 119.3° |
| C13 | C14 | C17 | H22 | 24.5° | 23.6° |
| C14 | C13 | N7 | H32 | 81.6° | 17.1° |
| C15 | C16 | C17 | C14 | 38.9° | 6.0° |
| C15 | C16 | C17 | O4 | 118.8° | 118.3° |
| C15 | C16 | C17 | H21 | 115.8° | 119.4° |
| C15 | C16 | O4 | H21 | 124.1° | 122.9° |
| C15 | C16 | C17 | O5 | 79.5° | 124.4° |
| C15 | C16 | O4 | H11 | 180.0° | 176.2° |
| C15 | C16 | C17 | H22 | 156.3° | 113.7° |
| C14 | C17 | C16 | O5 | 118.4° | 118.4° |
| C14 | C17 | C16 | H22 | 117.4° | 119.7° |
| C14 | C17 | C16 | O4 | 157.7° | 112.3° |
| C14 | C17 | O5 | H22 | 123.9° | 123.2° |
| C14 | C17 | O5 | H8 | 180.0° | 172.8° |
| C17 | C14 | C13 | H17 | 76.5° | 104.0° |
| C17 | C14 | C13 | H18 | 42.5° | 137.1° |
| C14 | C17 | C16 | H21 | 76.8° | 125.4° |
| C17 | C16 | O4 | H21 | 124.6° | 122.6° |
| C16 | C17 | O5 | H22 | 123.3° | 121.3° |
| C16 | C17 | O5 | H8 | 67.2° | 71.7° |
| C17 | C16 | O4 | H11 | 68.7° | 69.3° |
| C16 | C17 | C14 | H19 | 144.0° | 95.7° |
| C17 | C16 | C15 | H20 | 76.6° | 105.8° |
| O4 | C16 | C17 | O5 | 39.3° | 6.1° |
| O4 | C16 | C15 | H20 | 42.7° | 12.4° |
| O4 | C16 | C17 | H22 | 84.9° | 128.0° |
| O5 | C17 | C14 | H19 | 26.2° | 22.5° |
| O5 | C17 | C16 | H21 | 164.7° | 116.2° |
| H1 | C7 | C6 | H10 | 70.1° | 62.6° |
| H2 | C7 | C6 | H10 | 171.0° | 177.4° |
| H3 | C8 | C9 | H5 | 58.4° | 31.4° |
| H3 | C8 | C9 | H6 | 61.1° | 88.3° |
| H4 | C8 | C9 | H5 | 177.4° | 88.1° |
| H4 | C8 | C9 | H6 | 57.9° | 152.3° |
| H5 | C9 | N6 | H31 | 177.6° | 103.5° |
| H6 | C9 | N6 | H31 | 62.9° | 138.8° |
| H8 | O5 | C17 | H22 | 56.1° | 49.6° |
| H9 | C5 | C27 | H27 | 122.1° | 146.5° |
| H10 | C6 | C26 | H26 | 165.2° | 146.5° |
| H11 | O4 | C16 | H21 | 55.9° | 53.3° |
| H17 | C13 | C14 | H19 | 160.5° | 134.6° |
| H17 | C13 | N7 | H32 | 38.9° | 138.2° |
| H18 | C13 | C14 | H19 | 80.6° | 15.7° |
| H18 | C13 | N7 | H32 | 157.9° | 103.2° |
| H19 | C14 | C17 | H22 | 98.6° | 145.5° |
| H20 | C15 | C16 | H21 | 167.7° | 134.9° |
| H21 | C16 | C17 | H22 | 40.5° | 5.7° |
| H26 | C26 | C27 | H27 | 25.0° | 0.1° |
| H26 | C26 | O6 | H33 | 57.1° | 50.1° |
| H27 | C27 | O7 | H34 | 57.2° | 57.3° |
