9CS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | O9 | sing | 1.43Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | N6 | sing | 1.47Å | 1.44Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | O7 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O8 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.46Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | N1 | sing | 1.47Å | 1.46Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | C12 | sing | 1.53Å | 1.53Å | |
| C7 | N3 | sing | 1.47Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | O11 | sing | 1.43Å | 1.41Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | O10 | sing | 1.43Å | 1.43Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | O9 | sing | 1.43Å | 1.45Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | N2 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | O11 | sing | 1.43Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | O12 | sing | 1.43Å | 1.46Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | O13 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | N4 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | O14 | sing | 1.43Å | 1.45Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | O12 | sing | 1.43Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | O15 | sing | 1.43Å | 1.43Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| N2 | HN21 | sing | 1.01Å | 1.00Å | |
| N2 | HN22 | sing | 1.01Å | 1.00Å | |
| N3 | HN31 | sing | 1.01Å | 1.00Å | |
| N3 | HN32 | sing | 1.01Å | 1.00Å | |
| N4 | HN41 | sing | 1.01Å | 1.00Å | |
| N4 | HN42 | sing | 1.01Å | 1.00Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å | |
| O15 | HO15 | sing | 0.97Å | 0.95Å | |
| N6 | HN61 | sing | 1.01Å | 1.00Å | |
| N6 | HN62 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C1 | O9 | 110.4° | 109.5° |
| O5 | C1 | C2 | 107.7° | 109.4° |
| O5 | C1 | H1 | 111.2° | 109.5° |
| C1 | O5 | C5 | 114.0° | 114.1° |
| O9 | C1 | C2 | 112.6° | 109.5° |
| O9 | C1 | H1 | 106.1° | 109.5° |
| C1 | O9 | C10 | 113.9° | 114.0° |
| C2 | C1 | H1 | 108.9° | 109.4° |
| C1 | C2 | C3 | 110.1° | 109.1° |
| C1 | C2 | N6 | 111.0° | 109.5° |
| C1 | C2 | H2 | 108.2° | 109.6° |
| C3 | C2 | N6 | 110.1° | 109.5° |
| C3 | C2 | H2 | 109.2° | 109.5° |
| C2 | C3 | C4 | 110.8° | 109.0° |
| C2 | C3 | O7 | 110.5° | 109.5° |
| C2 | C3 | H3 | 108.2° | 109.6° |
| N6 | C2 | H2 | 108.2° | 109.6° |
| C2 | N6 | HN61 | 109.5° | 111.0° |
| C2 | N6 | HN62 | 109.5° | 111.0° |
| C4 | C3 | O7 | 110.5° | 109.6° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| C3 | C4 | C5 | 109.5° | 109.2° |
| C3 | C4 | O8 | 110.8° | 109.6° |
| C3 | C4 | H4 | 108.5° | 109.5° |
| O7 | C3 | H3 | 108.5° | 109.6° |
| C3 | O7 | HO7 | 109.5° | 114.0° |
| C5 | C4 | O8 | 109.3° | 109.6° |
| C5 | C4 | H4 | 110.0° | 109.5° |
| C4 | C5 | C6 | 106.2° | 109.5° |
| C4 | C5 | O5 | 112.8° | 109.4° |
| C4 | C5 | H5 | 109.3° | 109.4° |
| O8 | C4 | H4 | 108.7° | 109.6° |
| C4 | O8 | HO8 | 109.5° | 114.0° |
| C6 | C5 | O5 | 108.9° | 109.5° |
| C6 | C5 | H5 | 113.1° | 109.5° |
| C5 | C6 | N1 | 109.1° | 109.5° |
| C5 | C6 | H61 | 109.6° | 109.5° |
| C5 | C6 | H62 | 109.7° | 109.5° |
| O5 | C5 | H5 | 106.6° | 109.5° |
| N1 | C6 | H61 | 109.6° | 109.4° |
| N1 | C6 | H62 | 109.7° | 109.5° |
| C6 | N1 | HN11 | 109.5° | 111.0° |
| C6 | N1 | HN12 | 109.4° | 111.0° |
| H61 | C6 | H62 | 109.2° | 109.5° |
| C12 | C7 | N3 | 110.4° | 109.5° |
| C12 | C7 | C8 | 111.3° | 109.5° |
| C12 | C7 | H7 | 108.5° | 109.5° |
| C7 | C12 | C11 | 108.8° | 109.4° |
| C7 | C12 | H121 | 109.7° | 109.5° |
| C7 | C12 | H122 | 109.9° | 109.5° |
| N3 | C7 | C8 | 112.1° | 109.5° |
| N3 | C7 | H7 | 107.7° | 109.4° |
| C7 | N3 | HN31 | 109.5° | 111.0° |
| C7 | N3 | HN32 | 109.5° | 111.0° |
| C8 | C7 | H7 | 106.7° | 109.5° |
| C7 | C8 | C9 | 111.6° | 109.5° |
| C7 | C8 | O11 | 105.7° | 109.5° |
| C7 | C8 | H8 | 109.6° | 109.5° |
| C9 | C8 | O11 | 106.4° | 109.5° |
| C9 | C8 | H8 | 108.9° | 109.4° |
| C8 | C9 | C10 | 112.9° | 109.5° |
| C8 | C9 | O10 | 110.2° | 109.5° |
| C8 | C9 | H9 | 106.5° | 109.4° |
| O11 | C8 | H8 | 114.5° | 109.5° |
| C8 | O11 | C13 | 113.9° | 114.0° |
| C10 | C9 | O10 | 109.4° | 109.5° |
| C10 | C9 | H9 | 107.4° | 109.5° |
| C9 | C10 | C11 | 112.6° | 109.4° |
| C9 | C10 | O9 | 108.8° | 109.4° |
| C9 | C10 | H10 | 108.2° | 109.5° |
| O10 | C9 | H9 | 110.3° | 109.5° |
| C9 | O10 | HO10 | 109.5° | 114.0° |
| C11 | C10 | O9 | 110.7° | 109.5° |
| C11 | C10 | H10 | 106.3° | 109.5° |
| C10 | C11 | N2 | 110.4° | 109.4° |
| C10 | C11 | C12 | 111.9° | 109.5° |
| C10 | C11 | H11 | 106.7° | 109.5° |
| O9 | C10 | H10 | 110.2° | 109.5° |
| N2 | C11 | C12 | 108.0° | 109.5° |
| N2 | C11 | H11 | 110.7° | 109.4° |
| C11 | N2 | HN21 | 109.5° | 111.0° |
| C11 | N2 | HN22 | 109.5° | 111.0° |
| C12 | C11 | H11 | 109.1° | 109.5° |
| C11 | C12 | H121 | 109.7° | 109.5° |
| C11 | C12 | H122 | 109.8° | 109.5° |
| H121 | C12 | H122 | 108.9° | 109.4° |
| O11 | C13 | C14 | 108.1° | 109.5° |
| O11 | C13 | O12 | 112.0° | 109.5° |
| O11 | C13 | H13 | 108.6° | 109.4° |
| C14 | C13 | O12 | 109.2° | 109.4° |
| C14 | C13 | H13 | 111.4° | 109.5° |
| C13 | C14 | O13 | 109.4° | 109.5° |
| C13 | C14 | C15 | 110.3° | 109.2° |
| C13 | C14 | H14 | 109.4° | 109.5° |
| O12 | C13 | H13 | 107.5° | 109.5° |
| C13 | O12 | C17 | 112.8° | 114.1° |
| O13 | C14 | C15 | 110.8° | 109.5° |
| O13 | C14 | H14 | 108.9° | 109.5° |
| C14 | O13 | HO13 | 109.5° | 114.1° |
| C15 | C14 | H14 | 107.9° | 109.6° |
| C14 | C15 | N4 | 109.8° | 109.5° |
| C14 | C15 | C16 | 111.9° | 109.0° |
| C14 | C15 | H15 | 107.4° | 109.6° |
| N4 | C15 | C16 | 108.9° | 109.5° |
| N4 | C15 | H15 | 110.5° | 109.5° |
| C15 | N4 | HN41 | 109.5° | 111.0° |
| C15 | N4 | HN42 | 109.5° | 111.0° |
| C16 | C15 | H15 | 108.3° | 109.6° |
| C15 | C16 | C17 | 112.3° | 109.1° |
| C15 | C16 | O14 | 109.5° | 109.5° |
| C15 | C16 | H16 | 108.2° | 109.6° |
| C17 | C16 | O14 | 111.5° | 109.5° |
| C17 | C16 | H16 | 106.1° | 109.5° |
| C16 | C17 | O12 | 114.6° | 109.4° |
| C16 | C17 | C18 | 112.1° | 109.5° |
| C16 | C17 | H17 | 103.0° | 109.5° |
| O14 | C16 | H16 | 109.1° | 109.6° |
| C16 | O14 | HO14 | 109.5° | 114.0° |
| O12 | C17 | C18 | 106.6° | 109.5° |
| O12 | C17 | H17 | 108.9° | 109.4° |
| C18 | C17 | H17 | 111.6° | 109.5° |
| C17 | C18 | O15 | 108.1° | 109.5° |
| C17 | C18 | H181 | 109.9° | 109.5° |
| C17 | C18 | H182 | 110.2° | 109.5° |
| O15 | C18 | H181 | 109.9° | 109.5° |
| O15 | C18 | H182 | 110.2° | 109.5° |
| C18 | O15 | HO15 | 109.5° | 114.0° |
| H181 | C18 | H182 | 108.4° | 109.5° |
| HN11 | N1 | HN12 | 109.5° | 111.0° |
| HN21 | N2 | HN22 | 109.4° | 111.1° |
| HN31 | N3 | HN32 | 109.4° | 111.0° |
| HN41 | N4 | HN42 | 109.5° | 111.0° |
| HN61 | N6 | HN62 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | O9 | C2 | 120.4° | 120.0° |
| O5 | C1 | O9 | H1 | 120.6° | 120.0° |
| O5 | C1 | C2 | H1 | 120.7° | 120.0° |
| O5 | C1 | C2 | C3 | 60.0° | 57.6° |
| O5 | C1 | C2 | N6 | 177.9° | 177.5° |
| O5 | C1 | C2 | H2 | 59.2° | 62.2° |
| C1 | O5 | C5 | C4 | 58.7° | 61.1° |
| C1 | O5 | C5 | C6 | 176.4° | 178.9° |
| C1 | O5 | C5 | H5 | 61.3° | 58.8° |
| O5 | C1 | O9 | C10 | 87.0° | 72.6° |
| O9 | C1 | C2 | H1 | 117.4° | 120.0° |
| O9 | C1 | C2 | C3 | 62.0° | 62.4° |
| O9 | C1 | C2 | N6 | 60.2° | 57.5° |
| O9 | C1 | C2 | H2 | 178.8° | 177.8° |
| O9 | C1 | O5 | C5 | 61.9° | 58.9° |
| C1 | O9 | C10 | C9 | 90.4° | 88.6° |
| C1 | O9 | C10 | C11 | 145.4° | 151.4° |
| C1 | O9 | C10 | H10 | 28.1° | 31.4° |
| C1 | C2 | C3 | N6 | 122.7° | 119.9° |
| C1 | C2 | C3 | H2 | 118.6° | 119.9° |
| C1 | C2 | N6 | H2 | 118.6° | 120.2° |
| C1 | C2 | C3 | C4 | 56.6° | 57.0° |
| C1 | C2 | C3 | O7 | 179.4° | 176.8° |
| C1 | C2 | C3 | H3 | 61.9° | 62.9° |
| C2 | C1 | O5 | C5 | 61.5° | 61.2° |
| C2 | C1 | O9 | C10 | 152.6° | 167.5° |
| C1 | C2 | N6 | HN61 | 31.8° | 60.0° |
| C1 | C2 | N6 | HN62 | 88.2° | 176.0° |
| H1 | C1 | C2 | C3 | 179.3° | 177.6° |
| H1 | C1 | C2 | N6 | 57.2° | 62.5° |
| H1 | C1 | C2 | H2 | 61.4° | 57.7° |
| H1 | C1 | O5 | C5 | 179.3° | 178.9° |
| H1 | C1 | O9 | C10 | 33.6° | 47.5° |
| C3 | C2 | N6 | H2 | 119.2° | 120.1° |
| C2 | C3 | C4 | O7 | 122.8° | 119.9° |
| C2 | C3 | C4 | H3 | 118.5° | 119.9° |
| C2 | C3 | O7 | H3 | 118.5° | 120.3° |
| C2 | C3 | C4 | C5 | 50.9° | 56.9° |
| C2 | C3 | C4 | O8 | 171.6° | 176.9° |
| C2 | C3 | C4 | H4 | 69.2° | 62.9° |
| C2 | C3 | O7 | HO7 | 89.7° | 180.0° |
| C3 | C2 | N6 | HN61 | 90.3° | 179.7° |
| C3 | C2 | N6 | HN62 | 149.7° | 56.4° |
| N6 | C2 | C3 | C4 | 179.3° | 176.9° |
| N6 | C2 | C3 | O7 | 57.9° | 63.3° |
| N6 | C2 | C3 | H3 | 60.8° | 57.0° |
| C2 | N6 | HN61 | HN62 | 120.0° | 124.0° |
| H2 | C2 | C3 | C4 | 62.0° | 63.0° |
| H2 | C2 | C3 | O7 | 60.7° | 56.9° |
| H2 | C2 | C3 | H3 | 179.4° | 177.2° |
| H2 | C2 | N6 | HN61 | 150.4° | 60.2° |
| H2 | C2 | N6 | HN62 | 30.4° | 63.8° |
| C4 | C3 | O7 | H3 | 118.5° | 120.2° |
| C3 | C4 | C5 | O8 | 121.6° | 120.0° |
| C3 | C4 | C5 | H4 | 119.2° | 119.8° |
| C3 | C4 | O8 | H4 | 119.2° | 120.1° |
| C3 | C4 | C5 | C6 | 170.2° | 177.6° |
| C3 | C4 | C5 | O5 | 50.9° | 57.5° |
| C3 | C4 | C5 | H5 | 67.5° | 62.4° |
| C4 | C3 | O7 | HO7 | 147.3° | 60.4° |
| C3 | C4 | O8 | HO8 | 146.8° | 60.0° |
| O7 | C3 | C4 | C5 | 173.7° | 176.8° |
| O7 | C3 | C4 | O8 | 65.6° | 63.2° |
| O7 | C3 | C4 | H4 | 53.6° | 56.9° |
| H3 | C3 | C4 | C5 | 67.6° | 62.9° |
| H3 | C3 | C4 | O8 | 53.1° | 57.0° |
| H3 | C3 | C4 | H4 | 172.3° | 177.2° |
| H3 | C3 | O7 | HO7 | 28.8° | 59.7° |
| C5 | C4 | O8 | H4 | 120.1° | 120.1° |
| C4 | C5 | C6 | O5 | 121.7° | 120.0° |
| C4 | C5 | C6 | H5 | 119.9° | 120.0° |
| C4 | C5 | O5 | H5 | 120.0° | 119.9° |
| C4 | C5 | C6 | N1 | 148.2° | 175.0° |
| C4 | C5 | C6 | H61 | 28.2° | 55.0° |
| C4 | C5 | C6 | H62 | 91.6° | 65.0° |
| C5 | C4 | O8 | HO8 | 26.0° | 179.7° |
| O8 | C4 | C5 | C6 | 68.2° | 62.4° |
| O8 | C4 | C5 | O5 | 172.5° | 177.5° |
| O8 | C4 | C5 | H5 | 54.1° | 57.6° |
| H4 | C4 | C5 | C6 | 51.0° | 57.7° |
| H4 | C4 | C5 | O5 | 68.2° | 62.3° |
| H4 | C4 | C5 | H5 | 173.4° | 177.7° |
| H4 | C4 | O8 | HO8 | 94.1° | 60.1° |
| C6 | C5 | O5 | H5 | 122.3° | 120.0° |
| C5 | C6 | N1 | H61 | 120.0° | 120.0° |
| C5 | C6 | N1 | H62 | 120.2° | 120.0° |
| C5 | C6 | H61 | H62 | 120.2° | 120.0° |
| C5 | C6 | N1 | HN11 | 165.4° | 179.9° |
| C5 | C6 | N1 | HN12 | 45.4° | 56.0° |
| O5 | C5 | C6 | N1 | 90.1° | 65.0° |
| O5 | C5 | C6 | H61 | 150.0° | 175.0° |
| O5 | C5 | C6 | H62 | 30.1° | 55.0° |
| H5 | C5 | C6 | N1 | 28.3° | 55.0° |
| H5 | C5 | C6 | H61 | 91.7° | 65.0° |
| H5 | C5 | C6 | H62 | 148.5° | 175.0° |
| N1 | C6 | H61 | H62 | 120.2° | 120.0° |
| C6 | N1 | HN11 | HN12 | 120.0° | 123.9° |
| H61 | C6 | N1 | HN11 | 74.6° | 60.0° |
| H61 | C6 | N1 | HN12 | 165.4° | 176.1° |
| H62 | C6 | N1 | HN11 | 45.2° | 60.0° |
| H62 | C6 | N1 | HN12 | 74.7° | 64.0° |
| C12 | C7 | N3 | C8 | 124.6° | 120.0° |
| C12 | C7 | N3 | H7 | 118.3° | 120.0° |
| C12 | C7 | C8 | H7 | 118.2° | 120.0° |
| C12 | C7 | C8 | C9 | 56.5° | 60.0° |
| C12 | C7 | C8 | O11 | 171.8° | 180.0° |
| C12 | C7 | C8 | H8 | 64.3° | 60.0° |
| C7 | C12 | C11 | C10 | 59.1° | 60.0° |
| C7 | C12 | C11 | N2 | 179.2° | 180.0° |
| C7 | C12 | C11 | H121 | 120.0° | 120.0° |
| C7 | C12 | C11 | H122 | 120.3° | 120.0° |
| C7 | C12 | C11 | H11 | 58.8° | 60.0° |
| C7 | C12 | H121 | H122 | 120.3° | 120.0° |
| C12 | C7 | N3 | HN31 | 30.3° | 60.0° |
| C12 | C7 | N3 | HN32 | 150.4° | 64.0° |
| N3 | C7 | C8 | H7 | 117.6° | 120.0° |
| N3 | C7 | C8 | C9 | 179.4° | 180.0° |
| N3 | C7 | C8 | O11 | 64.1° | 60.0° |
| N3 | C7 | C8 | H8 | 59.8° | 60.0° |
| N3 | C7 | C12 | C11 | 173.7° | 180.0° |
| N3 | C7 | C12 | H121 | 66.3° | 60.0° |
| N3 | C7 | C12 | H122 | 53.5° | 60.0° |
| C7 | N3 | HN31 | HN32 | 120.0° | 123.9° |
| C7 | C8 | C9 | O11 | 114.9° | 120.0° |
| C7 | C8 | C9 | H8 | 121.2° | 120.0° |
| C7 | C8 | O11 | H8 | 120.8° | 120.0° |
| C7 | C8 | C9 | C10 | 48.7° | 60.0° |
| C7 | C8 | C9 | O10 | 171.4° | 180.0° |
| C7 | C8 | C9 | H9 | 68.9° | 60.0° |
| C8 | C7 | C12 | C11 | 61.2° | 60.0° |
| C8 | C7 | C12 | H121 | 58.8° | 60.0° |
| C8 | C7 | C12 | H122 | 178.5° | 180.0° |
| C7 | C8 | O11 | C13 | 136.8° | 90.0° |
| C8 | C7 | N3 | HN31 | 94.3° | 180.0° |
| C8 | C7 | N3 | HN32 | 25.7° | 56.1° |
| H7 | C7 | C8 | C9 | 61.8° | 60.0° |
| H7 | C7 | C8 | O11 | 53.6° | 60.0° |
| H7 | C7 | C8 | H8 | 177.5° | 180.0° |
| H7 | C7 | C12 | C11 | 55.9° | 60.0° |
| H7 | C7 | C12 | H121 | 175.9° | 180.0° |
| H7 | C7 | C12 | H122 | 64.3° | 60.0° |
| H7 | C7 | N3 | HN31 | 148.7° | 60.0° |
| H7 | C7 | N3 | HN32 | 91.3° | 176.0° |
| C9 | C8 | O11 | H8 | 120.4° | 120.0° |
| C8 | C9 | C10 | O10 | 123.1° | 120.0° |
| C8 | C9 | C10 | H9 | 117.1° | 120.0° |
| C8 | C9 | O10 | H9 | 117.3° | 120.0° |
| C8 | C9 | C10 | C11 | 46.9° | 60.0° |
| C8 | C9 | C10 | O9 | 170.0° | 180.0° |
| C8 | C9 | C10 | H10 | 70.3° | 60.0° |
| C9 | C8 | O11 | C13 | 104.5° | 150.0° |
| C8 | C9 | O10 | HO10 | 95.0° | 66.6° |
| O11 | C8 | C9 | C10 | 163.6° | 180.0° |
| O11 | C8 | C9 | O10 | 73.7° | 60.0° |
| O11 | C8 | C9 | H9 | 45.9° | 60.0° |
| C8 | O11 | C13 | C14 | 139.8° | 174.6° |
| C8 | O11 | C13 | O12 | 99.7° | 65.5° |
| C8 | O11 | C13 | H13 | 18.8° | 54.5° |
| H8 | C8 | C9 | C10 | 72.4° | 60.0° |
| H8 | C8 | C9 | O10 | 50.2° | 60.0° |
| H8 | C8 | C9 | H9 | 169.9° | 180.0° |
| H8 | C8 | O11 | C13 | 16.0° | 30.0° |
| C10 | C9 | O10 | H9 | 117.9° | 120.0° |
| C9 | C10 | C11 | O9 | 122.0° | 120.0° |
| C9 | C10 | C11 | H10 | 118.3° | 120.0° |
| C9 | C10 | O9 | H10 | 118.5° | 120.0° |
| C9 | C10 | C11 | N2 | 172.8° | 180.0° |
| C9 | C10 | C11 | C12 | 52.5° | 60.1° |
| C9 | C10 | C11 | H11 | 66.8° | 60.0° |
| C10 | C9 | O10 | HO10 | 140.3° | 173.4° |
| O10 | C9 | C10 | C11 | 170.0° | 180.0° |
| O10 | C9 | C10 | O9 | 66.9° | 60.0° |
| O10 | C9 | C10 | H10 | 52.9° | 60.0° |
| H9 | C9 | C10 | C11 | 70.3° | 60.0° |
| H9 | C9 | C10 | O9 | 52.8° | 60.0° |
| H9 | C9 | C10 | H10 | 172.6° | 180.0° |
| H9 | C9 | O10 | HO10 | 22.4° | 53.4° |
| C11 | C10 | O9 | H10 | 117.3° | 120.0° |
| C10 | C11 | N2 | C12 | 122.7° | 120.0° |
| C10 | C11 | N2 | H11 | 117.9° | 120.0° |
| C10 | C11 | C12 | H11 | 117.9° | 120.1° |
| C10 | C11 | C12 | H121 | 60.9° | 60.0° |
| C10 | C11 | C12 | H122 | 179.3° | 180.0° |
| C10 | C11 | N2 | HN21 | 87.9° | 173.1° |
| C10 | C11 | N2 | HN22 | 152.1° | 62.8° |
| O9 | C10 | C11 | N2 | 65.2° | 60.0° |
| O9 | C10 | C11 | C12 | 174.5° | 180.0° |
| O9 | C10 | C11 | H11 | 55.2° | 60.0° |
| H10 | C10 | C11 | N2 | 54.5° | 60.0° |
| H10 | C10 | C11 | C12 | 65.8° | 60.0° |
| H10 | C10 | C11 | H11 | 174.9° | NaN° |
| N2 | C11 | C12 | H11 | 120.4° | 120.0° |
| N2 | C11 | C12 | H121 | 60.8° | 60.0° |
| N2 | C11 | C12 | H122 | 59.0° | 60.0° |
| C11 | N2 | HN21 | HN22 | 120.0° | 124.0° |
| C11 | C12 | H121 | H122 | 120.3° | 120.0° |
| C12 | C11 | N2 | HN21 | 34.8° | 53.2° |
| C12 | C11 | N2 | HN22 | 85.2° | 177.2° |
| H11 | C11 | C12 | H121 | 178.8° | 180.0° |
| H11 | C11 | C12 | H122 | 61.5° | 60.0° |
| H11 | C11 | N2 | HN21 | 154.2° | 66.8° |
| H11 | C11 | N2 | HN22 | 34.2° | 57.2° |
| O11 | C13 | C14 | O12 | 122.2° | 120.0° |
| O11 | C13 | C14 | H13 | 119.3° | 120.0° |
| O11 | C13 | O12 | H13 | 119.2° | 120.0° |
| O11 | C13 | C14 | O13 | 62.2° | 57.6° |
| O11 | C13 | C14 | C15 | 59.9° | 62.4° |
| O11 | C13 | C14 | H14 | 178.5° | 177.6° |
| O11 | C13 | O12 | C17 | 59.5° | 58.8° |
| C14 | C13 | O12 | H13 | 121.0° | 120.0° |
| C13 | C14 | O13 | C15 | 121.8° | 119.7° |
| C13 | C14 | O13 | H14 | 119.6° | 120.1° |
| C13 | C14 | C15 | H14 | 119.5° | 120.0° |
| C13 | C14 | C15 | N4 | 176.0° | 176.8° |
| C13 | C14 | C15 | C16 | 55.0° | 57.0° |
| C13 | C14 | C15 | H15 | 63.8° | 63.0° |
| C14 | C13 | O12 | C17 | 60.3° | 61.1° |
| C13 | C14 | O13 | HO13 | 33.9° | 59.9° |
| O12 | C13 | C14 | O13 | 175.6° | 177.6° |
| O12 | C13 | C14 | C15 | 62.3° | 57.6° |
| O12 | C13 | C14 | H14 | 56.3° | 62.4° |
| C13 | O12 | C17 | C16 | 51.4° | 61.1° |
| C13 | O12 | C17 | C18 | 176.1° | 178.9° |
| C13 | O12 | C17 | H17 | 63.3° | 58.8° |
| H13 | C13 | C14 | O13 | 57.0° | 62.4° |
| H13 | C13 | C14 | C15 | 179.2° | 177.6° |
| H13 | C13 | C14 | H14 | 62.2° | 57.6° |
| H13 | C13 | O12 | C17 | 178.7° | 178.8° |
| O13 | C14 | C15 | H14 | 119.2° | 120.1° |
| O13 | C14 | C15 | N4 | 62.7° | 63.2° |
| O13 | C14 | C15 | C16 | 176.2° | 176.9° |
| O13 | C14 | C15 | H15 | 57.5° | 57.0° |
| C14 | C15 | N4 | C16 | 122.9° | 119.5° |
| C14 | C15 | N4 | H15 | 118.3° | 120.2° |
| C14 | C15 | C16 | H15 | 118.2° | 119.9° |
| C14 | C15 | C16 | C17 | 44.8° | 57.0° |
| C14 | C15 | C16 | O14 | 169.1° | 176.9° |
| C14 | C15 | C16 | H16 | 72.0° | 62.9° |
| C14 | C15 | N4 | HN41 | 42.8° | 60.0° |
| C14 | C15 | N4 | HN42 | 77.2° | 63.9° |
| C15 | C14 | O13 | HO13 | 155.7° | 179.6° |
| H14 | C14 | C15 | N4 | 56.5° | 56.9° |
| H14 | C14 | C15 | C16 | 64.6° | 63.0° |
| H14 | C14 | C15 | H15 | 176.7° | 177.1° |
| H14 | C14 | O13 | HO13 | 85.7° | 60.1° |
| N4 | C15 | C16 | H15 | 120.2° | 120.2° |
| N4 | C15 | C16 | C17 | 166.4° | 176.8° |
| N4 | C15 | C16 | O14 | 69.2° | 63.3° |
| N4 | C15 | C16 | H16 | 49.6° | 56.9° |
| C15 | N4 | HN41 | HN42 | 120.1° | 124.0° |
| C15 | C16 | C17 | O14 | 123.3° | 119.9° |
| C15 | C16 | C17 | H16 | 118.1° | 119.9° |
| C15 | C16 | O14 | H16 | 118.3° | 120.2° |
| C15 | C16 | C17 | O12 | 42.8° | 57.6° |
| C15 | C16 | C17 | C18 | 164.5° | 177.6° |
| C15 | C16 | C17 | H17 | 75.4° | 62.3° |
| C16 | C15 | N4 | HN41 | 165.7° | 179.5° |
| C16 | C15 | N4 | HN42 | 45.7° | 55.6° |
| C15 | C16 | O14 | HO14 | 60.3° | 180.0° |
| H15 | C15 | C16 | C17 | 73.4° | 62.9° |
| H15 | C15 | C16 | O14 | 50.9° | 56.9° |
| H15 | C15 | C16 | H16 | 169.8° | 177.2° |
| H15 | C15 | N4 | HN41 | 75.4° | 60.2° |
| H15 | C15 | N4 | HN42 | 164.5° | 175.9° |
| C17 | C16 | O14 | H16 | 116.9° | 120.1° |
| C16 | C17 | O12 | C18 | 124.7° | 120.0° |
| C16 | C17 | O12 | H17 | 114.7° | 120.0° |
| C16 | C17 | C18 | H17 | 115.0° | 120.1° |
| C16 | C17 | C18 | O15 | 143.2° | 176.4° |
| C16 | C17 | C18 | H181 | 23.1° | 56.4° |
| C16 | C17 | C18 | H182 | 96.3° | 63.6° |
| C17 | C16 | O14 | HO14 | 64.5° | 60.3° |
| O14 | C16 | C17 | O12 | 166.0° | 177.5° |
| O14 | C16 | C17 | C18 | 72.2° | 62.5° |
| O14 | C16 | C17 | H17 | 47.9° | 57.6° |
| H16 | C16 | C17 | O12 | 75.3° | 62.3° |
| H16 | C16 | C17 | C18 | 46.4° | 57.7° |
| H16 | C16 | C17 | H17 | 166.6° | 177.7° |
| H16 | C16 | O14 | HO14 | 178.6° | 59.8° |
| O12 | C17 | C18 | H17 | 118.8° | 120.0° |
| O12 | C17 | C18 | O15 | 90.6° | 63.7° |
| O12 | C17 | C18 | H181 | 149.4° | 176.3° |
| O12 | C17 | C18 | H182 | 29.9° | 56.3° |
| C17 | C18 | O15 | H181 | 120.0° | 120.0° |
| C17 | C18 | O15 | H182 | 120.5° | 120.0° |
| C17 | C18 | H181 | H182 | 120.6° | 120.0° |
| C17 | C18 | O15 | HO15 | 40.0° | 180.0° |
| H17 | C17 | C18 | O15 | 28.2° | 56.3° |
| H17 | C17 | C18 | H181 | 91.8° | 63.7° |
| H17 | C17 | C18 | H182 | 148.7° | 176.3° |
| O15 | C18 | H181 | H182 | 120.5° | 120.0° |
| H181 | C18 | O15 | HO15 | 160.0° | 60.0° |
| H182 | C18 | O15 | HO15 | 80.5° | 60.0° |
