KAN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | O5 | sing | 1.43Å | 1.41Å | |
| C1 | O9 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O6 | sing | 1.43Å | 1.40Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O7 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O8 | sing | 1.43Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | N1 | sing | 1.47Å | 1.49Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C12 | sing | 1.53Å | 1.53Å | |
| C7 | N3 | sing | 1.47Å | 1.47Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | O11 | sing | 1.43Å | 1.45Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | O10 | sing | 1.43Å | 1.42Å | |
| C9 | H9 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | O9 | sing | 1.43Å | 1.45Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | N2 | sing | 1.47Å | 1.46Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | O11 | sing | 1.43Å | 1.41Å | |
| C13 | O12 | sing | 1.43Å | 1.40Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | O13 | sing | 1.43Å | 1.42Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | N4 | sing | 1.47Å | 1.50Å | |
| C15 | H15 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | O14 | sing | 1.43Å | 1.43Å | |
| C16 | H16 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C17 | O12 | sing | 1.43Å | 1.44Å | |
| C17 | H17 | sing | 1.09Å | 1.11Å | |
| C18 | O15 | sing | 1.43Å | 1.43Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| N2 | HN21 | sing | 1.01Å | 1.02Å | |
| N2 | HN22 | sing | 1.01Å | 1.02Å | |
| N3 | HN31 | sing | 1.01Å | 1.02Å | |
| N3 | HN32 | sing | 1.01Å | 1.02Å | |
| N4 | HN41 | sing | 1.01Å | 1.02Å | |
| N4 | HN42 | sing | 1.01Å | 1.02Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O10 | HO1 | sing | 0.97Å | 0.95Å | |
| O13 | HO3 | sing | 0.97Å | 0.95Å | |
| O14 | HO4 | sing | 0.97Å | 0.95Å | |
| O15 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 108.0° | 109.8° |
| C2 | C1 | O9 | 105.7° | 109.5° |
| C2 | C1 | H1 | 113.8° | 109.4° |
| C1 | C2 | C3 | 112.7° | 109.0° |
| C1 | C2 | O6 | 106.1° | 109.5° |
| C1 | C2 | H2 | 109.8° | 109.6° |
| O5 | C1 | O9 | 112.1° | 109.4° |
| O5 | C1 | H1 | 107.5° | 109.4° |
| C1 | O5 | C5 | 112.8° | 107.6° |
| O9 | C1 | H1 | 109.9° | 109.4° |
| C1 | O9 | C10 | 123.0° | 106.8° |
| C3 | C2 | O6 | 110.1° | 109.6° |
| C3 | C2 | H2 | 105.8° | 109.5° |
| C2 | C3 | C4 | 114.5° | 108.7° |
| C2 | C3 | O7 | 110.5° | 109.6° |
| C2 | C3 | H3 | 105.4° | 109.6° |
| O6 | C2 | H2 | 112.5° | 109.5° |
| C2 | O6 | HO6 | 106.1° | 106.8° |
| C4 | C3 | O7 | 109.9° | 109.7° |
| C4 | C3 | H3 | 106.0° | 109.6° |
| C3 | C4 | C5 | 113.6° | 109.0° |
| C3 | C4 | O8 | 112.4° | 109.7° |
| C3 | C4 | H4 | 104.2° | 109.5° |
| O7 | C3 | H3 | 110.4° | 109.6° |
| C3 | O7 | HO7 | 110.5° | 106.8° |
| C5 | C4 | O8 | 108.4° | 109.5° |
| C5 | C4 | H4 | 108.4° | 109.6° |
| C4 | C5 | C6 | 110.0° | 109.4° |
| C4 | C5 | O5 | 112.6° | 109.8° |
| C4 | C5 | H5 | 105.6° | 109.4° |
| O8 | C4 | H4 | 109.7° | 109.5° |
| C4 | O8 | HO8 | 112.4° | 106.7° |
| C6 | C5 | O5 | 105.3° | 109.4° |
| C6 | C5 | H5 | 113.0° | 109.4° |
| C5 | C6 | N1 | 113.4° | 109.5° |
| C5 | C6 | H61 | 110.8° | 109.4° |
| C5 | C6 | H62 | 110.8° | 109.5° |
| O5 | C5 | H5 | 110.5° | 109.4° |
| N1 | C6 | H61 | 110.7° | 109.4° |
| N1 | C6 | H62 | 110.7° | 109.5° |
| C6 | N1 | HN11 | 113.4° | 106.8° |
| C6 | N1 | HN12 | 110.8° | 106.7° |
| H61 | C6 | H62 | 99.5° | 109.5° |
| C8 | C7 | C12 | 109.9° | 109.5° |
| C8 | C7 | N3 | 112.3° | 109.5° |
| C8 | C7 | H7 | 107.5° | 109.4° |
| C7 | C8 | C9 | 110.8° | 109.5° |
| C7 | C8 | O11 | 111.8° | 109.5° |
| C7 | C8 | H8 | 108.7° | 109.4° |
| C12 | C7 | N3 | 110.5° | 109.5° |
| C12 | C7 | H7 | 109.5° | 109.5° |
| C7 | C12 | C11 | 113.1° | 109.5° |
| C7 | C12 | H121 | 110.9° | 109.5° |
| C7 | C12 | H122 | 110.9° | 109.5° |
| N3 | C7 | H7 | 107.0° | 109.5° |
| C7 | N3 | HN31 | 112.3° | 106.7° |
| C7 | N3 | HN32 | 111.1° | 106.7° |
| C9 | C8 | O11 | 114.2° | 109.5° |
| C9 | C8 | H8 | 106.0° | 109.5° |
| C8 | C9 | C10 | 102.9° | 109.4° |
| C8 | C9 | O10 | 108.5° | 109.5° |
| C8 | C9 | H9 | 115.2° | 109.5° |
| O11 | C8 | H8 | 104.9° | 109.5° |
| C8 | O11 | C13 | 113.1° | 106.8° |
| C10 | C9 | O10 | 112.1° | 109.5° |
| C10 | C9 | H9 | 111.8° | 109.5° |
| C9 | C10 | C11 | 111.4° | 109.5° |
| C9 | C10 | O9 | 113.4° | 109.5° |
| C9 | C10 | H10 | 110.3° | 109.5° |
| O10 | C9 | H9 | 106.5° | 109.5° |
| C9 | O10 | HO1 | 108.5° | 106.8° |
| C11 | C10 | O9 | 120.3° | 109.4° |
| C11 | C10 | H10 | 101.1° | 109.5° |
| C10 | C11 | C12 | 108.4° | 109.5° |
| C10 | C11 | N2 | 108.8° | 109.5° |
| C10 | C11 | H11 | 111.2° | 109.5° |
| O9 | C10 | H10 | 98.3° | 109.5° |
| C12 | C11 | N2 | 111.1° | 109.5° |
| C12 | C11 | H11 | 108.9° | 109.5° |
| C11 | C12 | H121 | 110.8° | 109.5° |
| C11 | C12 | H122 | 110.8° | 109.5° |
| N2 | C11 | H11 | 108.6° | 109.5° |
| C11 | N2 | HN21 | 108.8° | 106.7° |
| C11 | N2 | HN22 | 112.5° | 106.8° |
| H121 | C12 | H122 | 99.5° | 109.4° |
| C14 | C13 | O11 | 112.4° | 109.4° |
| C14 | C13 | O12 | 108.3° | 109.8° |
| C14 | C13 | H13 | 109.5° | 109.4° |
| C13 | C14 | C15 | 112.5° | 109.1° |
| C13 | C14 | O13 | 111.6° | 109.6° |
| C13 | C14 | H14 | 106.4° | 109.5° |
| O11 | C13 | O12 | 112.7° | 109.4° |
| O11 | C13 | H13 | 104.7° | 109.4° |
| O12 | C13 | H13 | 109.2° | 109.4° |
| C13 | O12 | C17 | 112.4° | 107.6° |
| C15 | C14 | O13 | 111.0° | 109.6° |
| C15 | C14 | H14 | 106.9° | 109.6° |
| C14 | C15 | C16 | 111.4° | 108.6° |
| C14 | C15 | N4 | 109.9° | 109.8° |
| C14 | C15 | H15 | 107.8° | 109.6° |
| O13 | C14 | H14 | 108.1° | 109.5° |
| C14 | O13 | HO3 | 111.5° | 106.8° |
| C16 | C15 | N4 | 109.4° | 109.6° |
| C16 | C15 | H15 | 108.3° | 109.6° |
| C15 | C16 | C17 | 108.4° | 109.0° |
| C15 | C16 | O14 | 108.2° | 109.7° |
| C15 | C16 | H16 | 111.3° | 109.5° |
| N4 | C15 | H15 | 109.9° | 109.6° |
| C15 | N4 | HN41 | 109.9° | 106.7° |
| C15 | N4 | HN42 | 112.0° | 106.8° |
| C17 | C16 | O14 | 110.0° | 109.5° |
| C17 | C16 | H16 | 109.4° | 109.5° |
| C16 | C17 | C18 | 111.9° | 109.4° |
| C16 | C17 | O12 | 110.1° | 109.8° |
| C16 | C17 | H17 | 107.0° | 109.4° |
| O14 | C16 | H16 | 109.6° | 109.5° |
| C16 | O14 | HO4 | 108.2° | 106.9° |
| C18 | C17 | O12 | 108.3° | 109.4° |
| C18 | C17 | H17 | 108.8° | 109.4° |
| C17 | C18 | O15 | 108.7° | 109.5° |
| C17 | C18 | H181 | 112.5° | 109.5° |
| C17 | C18 | H182 | 112.5° | 109.4° |
| O12 | C17 | H17 | 110.7° | 109.4° |
| O15 | C18 | H181 | 112.5° | 109.5° |
| O15 | C18 | H182 | 112.5° | 109.5° |
| C18 | O15 | HO5 | 108.7° | 106.8° |
| H181 | C18 | H182 | 97.9° | 109.5° |
| HN11 | N1 | HN12 | 110.7° | 106.7° |
| HN21 | N2 | HN22 | 112.5° | 106.7° |
| HN31 | N3 | HN32 | 111.2° | 106.7° |
| HN41 | N4 | HN42 | 112.0° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | O9 | 116.0° | 120.1° |
| C2 | C1 | O5 | H1 | 123.2° | 120.0° |
| C2 | C1 | O9 | H1 | 123.1° | 119.9° |
| C1 | C2 | C3 | O6 | 118.3° | 119.9° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | O6 | H2 | 120.0° | 120.3° |
| C1 | C2 | C3 | C4 | 40.9° | 53.8° |
| C1 | C2 | C3 | O7 | 165.7° | 173.7° |
| C1 | C2 | C3 | H3 | 75.1° | 66.0° |
| C2 | C1 | O5 | C5 | 67.7° | 67.6° |
| C2 | C1 | O9 | C10 | 138.7° | 165.8° |
| C1 | C2 | O6 | HO6 | 180.0° | 66.4° |
| O5 | C1 | O9 | H1 | 119.5° | 119.8° |
| O5 | C1 | C2 | C3 | 57.1° | 61.3° |
| O5 | C1 | C2 | O6 | 177.7° | 178.8° |
| O5 | C1 | C2 | H2 | 60.5° | 58.6° |
| C1 | O5 | C5 | C4 | 59.8° | 67.6° |
| C1 | O5 | C5 | C6 | 179.7° | 172.3° |
| C1 | O5 | C5 | H5 | 58.1° | 52.5° |
| O5 | C1 | O9 | C10 | 103.9° | 73.9° |
| O9 | C1 | C2 | C3 | 63.0° | 58.7° |
| O9 | C1 | C2 | O6 | 57.6° | 61.2° |
| O9 | C1 | C2 | H2 | 179.4° | 178.6° |
| O9 | C1 | O5 | C5 | 48.3° | 52.5° |
| C1 | O9 | C10 | C9 | 94.7° | 93.2° |
| C1 | O9 | C10 | C11 | 40.9° | 146.8° |
| C1 | O9 | C10 | H10 | 148.9° | 26.9° |
| H1 | C1 | C2 | C3 | 176.4° | 178.7° |
| H1 | C1 | C2 | O6 | 63.0° | 58.7° |
| H1 | C1 | C2 | H2 | 58.8° | 61.4° |
| H1 | C1 | O5 | C5 | 169.1° | 172.4° |
| H1 | C1 | O9 | C10 | 15.6° | 45.9° |
| C3 | C2 | O6 | H2 | 117.7° | 120.2° |
| C2 | C3 | C4 | O7 | 125.1° | 119.8° |
| C2 | C3 | C4 | H3 | 115.7° | 119.8° |
| C2 | C3 | O7 | H3 | 116.1° | 120.4° |
| C2 | C3 | C4 | C5 | 32.0° | 53.8° |
| C2 | C3 | C4 | O8 | 155.6° | 173.7° |
| C2 | C3 | C4 | H4 | 85.7° | 66.1° |
| C3 | C2 | O6 | HO6 | 57.7° | 174.0° |
| C2 | C3 | O7 | HO7 | 180.0° | 60.0° |
| O6 | C2 | C3 | C4 | 159.2° | 173.7° |
| O6 | C2 | C3 | O7 | 76.0° | 66.4° |
| O6 | C2 | C3 | H3 | 43.2° | 53.9° |
| H2 | C2 | C3 | C4 | 79.0° | 66.1° |
| H2 | C2 | C3 | O7 | 45.7° | 53.7° |
| H2 | C2 | C3 | H3 | 164.9° | 174.1° |
| H2 | C2 | O6 | HO6 | 60.0° | 53.9° |
| C4 | C3 | O7 | H3 | 116.5° | 120.4° |
| C3 | C4 | C5 | O8 | 125.7° | 120.0° |
| C3 | C4 | C5 | H4 | 115.3° | 119.8° |
| C3 | C4 | O8 | H4 | 115.4° | 120.2° |
| C3 | C4 | C5 | C6 | 157.1° | 178.6° |
| C3 | C4 | C5 | O5 | 40.0° | 61.3° |
| C3 | C4 | C5 | H5 | 80.7° | 58.8° |
| C4 | C3 | O7 | HO7 | 52.6° | 179.3° |
| C3 | C4 | O8 | HO8 | 180.0° | 59.9° |
| O7 | C3 | C4 | C5 | 157.1° | 173.6° |
| O7 | C3 | C4 | O8 | 79.3° | 66.5° |
| O7 | C3 | C4 | H4 | 39.4° | 53.7° |
| H3 | C3 | C4 | C5 | 83.6° | 66.0° |
| H3 | C3 | C4 | O8 | 39.9° | 53.9° |
| H3 | C3 | C4 | H4 | 158.6° | 174.1° |
| H3 | C3 | O7 | HO7 | 63.9° | 60.3° |
| C5 | C4 | O8 | H4 | 118.2° | 120.2° |
| C4 | C5 | C6 | O5 | 121.6° | 120.3° |
| C4 | C5 | C6 | H5 | 117.8° | 119.8° |
| C4 | C5 | O5 | H5 | 117.9° | 120.1° |
| C4 | C5 | C6 | N1 | 2.5° | 179.9° |
| C4 | C5 | C6 | H61 | 122.8° | 60.2° |
| C4 | C5 | C6 | H62 | 127.8° | 59.8° |
| C5 | C4 | O8 | HO8 | 53.7° | 179.5° |
| O8 | C4 | C5 | C6 | 77.2° | 58.6° |
| O8 | C4 | C5 | O5 | 165.6° | 178.8° |
| O8 | C4 | C5 | H5 | 45.0° | 61.2° |
| H4 | C4 | C5 | C6 | 41.8° | 61.6° |
| H4 | C4 | C5 | O5 | 75.3° | 58.6° |
| H4 | C4 | C5 | H5 | 164.1° | 178.6° |
| H4 | C4 | O8 | HO8 | 64.6° | 60.3° |
| C6 | C5 | O5 | H5 | 122.2° | 119.8° |
| C5 | C6 | N1 | H61 | 125.3° | 119.9° |
| C5 | C6 | N1 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 116.7° | 120.0° |
| C5 | C6 | N1 | HN11 | 180.0° | 180.0° |
| C5 | C6 | N1 | HN12 | 54.7° | 66.1° |
| O5 | C5 | C6 | N1 | 124.1° | 59.8° |
| O5 | C5 | C6 | H61 | 1.1° | 60.1° |
| O5 | C5 | C6 | H62 | 110.6° | 179.8° |
| H5 | C5 | C6 | N1 | 115.3° | 60.0° |
| H5 | C5 | C6 | H61 | 119.4° | 179.9° |
| H5 | C5 | C6 | H62 | 10.0° | 60.0° |
| N1 | C6 | H61 | H62 | 116.6° | 120.0° |
| C6 | N1 | HN11 | HN12 | 125.3° | 113.9° |
| H61 | C6 | N1 | HN11 | 54.7° | 60.1° |
| H61 | C6 | N1 | HN12 | 70.6° | 53.8° |
| H62 | C6 | N1 | HN11 | 54.7° | 60.0° |
| H62 | C6 | N1 | HN12 | 180.0° | 173.8° |
| C8 | C7 | C12 | N3 | 124.5° | 120.0° |
| C8 | C7 | C12 | H7 | 117.9° | 120.0° |
| C8 | C7 | N3 | H7 | 117.7° | 120.0° |
| C7 | C8 | C9 | O11 | 127.2° | 120.0° |
| C7 | C8 | C9 | H8 | 117.8° | 120.0° |
| C7 | C8 | O11 | H8 | 117.7° | 120.0° |
| C7 | C8 | C9 | C10 | 66.2° | 60.0° |
| C7 | C8 | C9 | O10 | 174.9° | 180.0° |
| C7 | C8 | C9 | H9 | 55.7° | 60.0° |
| C8 | C7 | C12 | C11 | 50.7° | 60.0° |
| C8 | C7 | C12 | H121 | 74.5° | 180.0° |
| C8 | C7 | C12 | H122 | 176.0° | 60.0° |
| C7 | C8 | O11 | C13 | 125.2° | 120.8° |
| C8 | C7 | N3 | HN31 | 180.0° | 180.0° |
| C8 | C7 | N3 | HN32 | 54.7° | 66.2° |
| C12 | C7 | N3 | H7 | 119.1° | 120.0° |
| C12 | C7 | C8 | C9 | 59.7° | 60.0° |
| C12 | C7 | C8 | O11 | 171.8° | 180.0° |
| C12 | C7 | C8 | H8 | 56.4° | 60.0° |
| C7 | C12 | C11 | C10 | 51.0° | 60.0° |
| C7 | C12 | C11 | H121 | 125.2° | 120.0° |
| C7 | C12 | C11 | H122 | 125.3° | 120.1° |
| C7 | C12 | C11 | N2 | 170.4° | 180.0° |
| C7 | C12 | C11 | H11 | 70.1° | 60.0° |
| C7 | C12 | H121 | H122 | 116.8° | 120.0° |
| C12 | C7 | N3 | HN31 | 56.9° | 60.0° |
| C12 | C7 | N3 | HN32 | 177.8° | 53.8° |
| N3 | C7 | C8 | C9 | 176.9° | 180.0° |
| N3 | C7 | C8 | O11 | 48.3° | 60.0° |
| N3 | C7 | C8 | H8 | 67.0° | 60.0° |
| N3 | C7 | C12 | C11 | 175.3° | 180.0° |
| N3 | C7 | C12 | H121 | 50.0° | 60.0° |
| N3 | C7 | C12 | H122 | 59.5° | 60.0° |
| C7 | N3 | HN31 | HN32 | 125.2° | 113.8° |
| H7 | C7 | C8 | C9 | 59.4° | 60.0° |
| H7 | C7 | C8 | O11 | 69.1° | 60.0° |
| H7 | C7 | C8 | H8 | 175.6° | 180.0° |
| H7 | C7 | C12 | C11 | 67.1° | 60.0° |
| H7 | C7 | C12 | H121 | 167.6° | 60.0° |
| H7 | C7 | C12 | H122 | 58.1° | 180.0° |
| H7 | C7 | N3 | HN31 | 62.2° | 60.0° |
| H7 | C7 | N3 | HN32 | 63.0° | 173.8° |
| C9 | C8 | O11 | H8 | 115.6° | 120.0° |
| C8 | C9 | C10 | O10 | 116.4° | 120.0° |
| C8 | C9 | C10 | H9 | 124.2° | 120.0° |
| C8 | C9 | O10 | H9 | 124.5° | 120.0° |
| C8 | C9 | C10 | C11 | 67.9° | 60.0° |
| C8 | C9 | C10 | O9 | 152.7° | 180.0° |
| C8 | C9 | C10 | H10 | 43.6° | 60.0° |
| C9 | C8 | O11 | C13 | 108.0° | 119.2° |
| C8 | C9 | O10 | HO1 | 180.0° | 175.6° |
| O11 | C8 | C9 | C10 | 166.6° | 180.0° |
| O11 | C8 | C9 | O10 | 47.7° | 60.0° |
| O11 | C8 | C9 | H9 | 71.5° | 60.0° |
| C8 | O11 | C13 | C14 | 114.7° | 150.1° |
| C8 | O11 | C13 | O12 | 122.6° | 89.6° |
| C8 | O11 | C13 | H13 | 4.1° | 30.3° |
| H8 | C8 | C9 | C10 | 51.6° | 60.0° |
| H8 | C8 | C9 | O10 | 67.3° | 60.0° |
| H8 | C8 | C9 | H9 | 173.5° | 180.0° |
| H8 | C8 | O11 | C13 | 7.6° | 0.8° |
| C10 | C9 | O10 | H9 | 122.5° | 120.1° |
| C9 | C10 | C11 | O9 | 136.3° | 120.0° |
| C9 | C10 | C11 | H10 | 117.2° | 120.1° |
| C9 | C10 | O9 | H10 | 116.4° | 120.1° |
| C9 | C10 | C11 | C12 | 61.1° | 60.1° |
| C9 | C10 | C11 | N2 | 178.0° | 180.0° |
| C9 | C10 | C11 | H11 | 58.5° | 59.9° |
| C10 | C9 | O10 | HO1 | 67.0° | 64.5° |
| O10 | C9 | C10 | C11 | 175.8° | 180.0° |
| O10 | C9 | C10 | O9 | 36.3° | 60.0° |
| O10 | C9 | C10 | H10 | 72.8° | 60.0° |
| H9 | C9 | C10 | C11 | 56.3° | 59.9° |
| H9 | C9 | C10 | O9 | 83.2° | 60.0° |
| H9 | C9 | C10 | H10 | 167.7° | 179.9° |
| H9 | C9 | O10 | HO1 | 55.5° | 55.6° |
| C11 | C10 | O9 | H10 | 108.0° | 119.9° |
| C10 | C11 | C12 | N2 | 119.4° | 120.0° |
| C10 | C11 | C12 | H11 | 121.1° | 120.0° |
| C10 | C11 | N2 | H11 | 121.1° | 120.0° |
| C10 | C11 | C12 | H121 | 74.2° | 180.0° |
| C10 | C11 | C12 | H122 | 176.3° | 60.0° |
| C10 | C11 | N2 | HN21 | 180.0° | 167.0° |
| C10 | C11 | N2 | HN22 | 54.7° | 79.1° |
| O9 | C10 | C11 | C12 | 162.5° | 180.0° |
| O9 | C10 | C11 | N2 | 41.7° | 60.0° |
| O9 | C10 | C11 | H11 | 77.8° | 60.0° |
| H10 | C10 | C11 | C12 | 56.0° | 60.0° |
| H10 | C10 | C11 | N2 | 64.8° | 60.0° |
| H10 | C10 | C11 | H11 | 175.7° | 180.0° |
| C12 | C11 | N2 | H11 | 119.7° | 120.0° |
| C11 | C12 | H121 | H122 | 116.7° | 120.0° |
| C12 | C11 | N2 | HN21 | 60.8° | 47.1° |
| C12 | C11 | N2 | HN22 | 64.5° | 160.9° |
| N2 | C11 | C12 | H121 | 45.2° | 60.0° |
| N2 | C11 | C12 | H122 | 64.3° | 60.0° |
| C11 | N2 | HN21 | HN22 | 125.3° | 113.8° |
| H11 | C11 | C12 | H121 | 164.7° | 60.0° |
| H11 | C11 | C12 | H122 | 55.2° | 179.9° |
| H11 | C11 | N2 | HN21 | 58.9° | 72.9° |
| H11 | C11 | N2 | HN22 | 175.8° | 40.9° |
| C14 | C13 | O11 | O12 | 122.7° | 120.3° |
| C14 | C13 | O11 | H13 | 118.8° | 119.8° |
| C14 | C13 | O12 | H13 | 119.1° | 120.1° |
| C13 | C14 | C15 | O13 | 125.9° | 120.0° |
| C13 | C14 | C15 | H14 | 116.4° | 119.9° |
| C13 | C14 | O13 | H14 | 116.6° | 120.1° |
| C13 | C14 | C15 | C16 | 48.8° | 53.7° |
| C13 | C14 | C15 | N4 | 170.2° | 173.5° |
| C13 | C14 | C15 | H15 | 69.9° | 66.0° |
| C14 | C13 | O12 | C17 | 63.0° | 67.6° |
| C13 | C14 | O13 | HO3 | 180.0° | 60.4° |
| O11 | C13 | O12 | H13 | 115.9° | 119.8° |
| O11 | C13 | C14 | C15 | 71.6° | 58.8° |
| O11 | C13 | C14 | O13 | 54.0° | 61.1° |
| O11 | C13 | C14 | H14 | 171.7° | 178.7° |
| O11 | C13 | O12 | C17 | 62.0° | 52.6° |
| O12 | C13 | C14 | C15 | 53.5° | 61.3° |
| O12 | C13 | C14 | O13 | 179.2° | 178.7° |
| O12 | C13 | C14 | H14 | 63.2° | 58.6° |
| C13 | O12 | C17 | C16 | 67.7° | 67.6° |
| C13 | O12 | C17 | C18 | 169.6° | 172.4° |
| C13 | O12 | C17 | H17 | 50.4° | 52.5° |
| H13 | C13 | C14 | C15 | 172.5° | 178.6° |
| H13 | C13 | C14 | O13 | 61.9° | 58.7° |
| H13 | C13 | C14 | H14 | 55.7° | 61.5° |
| H13 | C13 | O12 | C17 | 177.9° | 172.4° |
| C15 | C14 | O13 | H14 | 117.0° | 120.2° |
| C14 | C15 | C16 | N4 | 121.7° | 120.0° |
| C14 | C15 | C16 | H15 | 118.5° | 119.7° |
| C14 | C15 | N4 | H15 | 118.5° | 120.5° |
| C14 | C15 | C16 | C17 | 49.9° | 53.7° |
| C14 | C15 | C16 | O14 | 169.1° | 173.6° |
| C14 | C15 | C16 | H16 | 70.4° | 66.2° |
| C14 | C15 | N4 | HN41 | 180.0° | 60.8° |
| C14 | C15 | N4 | HN42 | 54.8° | 53.0° |
| C15 | C14 | O13 | HO3 | 53.6° | 179.9° |
| O13 | C14 | C15 | C16 | 174.7° | 173.7° |
| O13 | C14 | C15 | N4 | 63.9° | 66.5° |
| O13 | C14 | C15 | H15 | 56.0° | 54.0° |
| H14 | C14 | C15 | C16 | 67.7° | 66.2° |
| H14 | C14 | C15 | N4 | 53.8° | 53.7° |
| H14 | C14 | C15 | H15 | 173.6° | 174.1° |
| H14 | C14 | O13 | HO3 | 63.4° | 59.8° |
| C16 | C15 | N4 | H15 | 118.8° | 120.3° |
| C15 | C16 | C17 | O14 | 118.0° | 120.0° |
| C15 | C16 | C17 | H16 | 121.5° | 119.8° |
| C15 | C16 | O14 | H16 | 121.5° | 120.2° |
| C15 | C16 | C17 | C18 | 178.6° | 178.7° |
| C15 | C16 | C17 | O12 | 58.0° | 61.2° |
| C15 | C16 | C17 | H17 | 62.3° | 58.9° |
| C16 | C15 | N4 | HN41 | 57.3° | 179.9° |
| C16 | C15 | N4 | HN42 | 67.9° | 66.3° |
| C15 | C16 | O14 | HO4 | 180.0° | 179.6° |
| N4 | C15 | C16 | C17 | 171.7° | 173.6° |
| N4 | C15 | C16 | O14 | 69.2° | 66.4° |
| N4 | C15 | C16 | H16 | 51.3° | 53.8° |
| C15 | N4 | HN41 | HN42 | 125.2° | 113.8° |
| H15 | C15 | C16 | C17 | 68.5° | 66.1° |
| H15 | C15 | C16 | O14 | 50.7° | 53.9° |
| H15 | C15 | C16 | H16 | 171.1° | 174.1° |
| H15 | C15 | N4 | HN41 | 61.5° | 59.7° |
| H15 | C15 | N4 | HN42 | 173.3° | 173.5° |
| C17 | C16 | O14 | H16 | 120.4° | 120.2° |
| C16 | C17 | C18 | O12 | 121.6° | 120.3° |
| C16 | C17 | C18 | H17 | 118.0° | 119.9° |
| C16 | C17 | O12 | H17 | 118.1° | 120.1° |
| C16 | C17 | C18 | O15 | 52.7° | 179.0° |
| C16 | C17 | C18 | H181 | 178.0° | 59.0° |
| C16 | C17 | C18 | H182 | 72.5° | 61.0° |
| C17 | C16 | O14 | HO4 | 61.8° | 59.9° |
| O14 | C16 | C17 | C18 | 63.4° | 58.7° |
| O14 | C16 | C17 | O12 | 176.1° | 178.8° |
| O14 | C16 | C17 | H17 | 55.7° | 61.2° |
| H16 | C16 | C17 | C18 | 57.1° | 61.5° |
| H16 | C16 | C17 | O12 | 63.5° | 58.6° |
| H16 | C16 | C17 | H17 | 176.2° | 178.7° |
| H16 | C16 | O14 | HO4 | 58.5° | 60.2° |
| C18 | C17 | O12 | H17 | 119.2° | 119.9° |
| C17 | C18 | O15 | H181 | 125.3° | 120.0° |
| C17 | C18 | O15 | H182 | 125.3° | 120.0° |
| C17 | C18 | H181 | H182 | 118.5° | 120.0° |
| C17 | C18 | O15 | HO5 | 180.0° | 175.1° |
| O12 | C17 | C18 | O15 | 68.9° | 60.7° |
| O12 | C17 | C18 | H181 | 56.4° | 179.3° |
| O12 | C17 | C18 | H182 | 165.9° | 59.3° |
| H17 | C17 | C18 | O15 | 170.8° | 59.1° |
| H17 | C17 | C18 | H181 | 64.0° | 60.9° |
| H17 | C17 | C18 | H182 | 45.5° | 179.1° |
| O15 | C18 | H181 | H182 | 118.4° | 120.0° |
| H181 | C18 | O15 | HO5 | 54.7° | 64.9° |
| H182 | C18 | O15 | HO5 | 54.7° | 55.1° |
