JY0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | C12 | doub | 1.21Å | 1.22Å | |
| O11 | C12 | sing | 1.35Å | 1.45Å | |
| C12 | N13 | sing | 1.35Å | 1.34Å | |
| C1 | O11 | sing | 1.45Å | 1.43Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| N13 | C14 | sing | 1.46Å | 1.45Å | |
| C34 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C9 | C34 | sing | 1.53Å | 1.52Å | |
| O10 | C34 | sing | 1.43Å | 1.44Å | |
| O38 | C15 | doub | 1.21Å | 1.23Å | |
| C15 | N16 | sing | 1.35Å | 1.34Å | |
| N16 | C17 | sing | 1.46Å | 1.46Å | |
| C27 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| O28 | C27 | sing | 1.43Å | 1.44Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C24 | sing | 1.51Å | 1.50Å | |
| C20 | C21 | sing | 1.55Å | 1.52Å | |
| C24 | O26 | doub | 1.21Å | 1.22Å | |
| N23 | C24 | sing | 1.34Å | 1.34Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| C11 | O10 | sing | 1.43Å | 1.44Å | |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C16 | C11 | sing | 1.53Å | 1.52Å | |
| C18 | C11 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| O28 | HO28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | C12 | O11 | 117.8° | 120.1° |
| O33 | C12 | N13 | 124.8° | 120.0° |
| O11 | C12 | N13 | 117.5° | 120.0° |
| C12 | O11 | C1 | 120.0° | 117.0° |
| C12 | N13 | C14 | 122.7° | 120.0° |
| C12 | N13 | HN13 | 118.6° | 120.0° |
| O11 | C1 | C2 | 108.5° | 109.5° |
| O11 | C1 | H1 | 109.7° | 109.5° |
| O11 | C1 | H11 | 109.7° | 109.5° |
| C1 | C2 | C7 | 119.2° | 120.0° |
| C1 | C2 | C3 | 120.5° | 120.0° |
| C2 | C1 | H1 | 109.7° | 109.5° |
| C2 | C1 | H11 | 109.7° | 109.4° |
| C7 | C2 | C3 | 120.4° | 120.0° |
| C2 | C7 | C6 | 120.1° | 120.0° |
| C2 | C7 | H7 | 119.9° | 120.0° |
| C2 | C3 | C4 | 119.5° | 120.0° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| C7 | C6 | C5 | 119.6° | 120.0° |
| C7 | C6 | H6 | 120.2° | 120.0° |
| C6 | C7 | H7 | 119.9° | 120.0° |
| C6 | C5 | C4 | 120.6° | 120.0° |
| C6 | C5 | H5 | 119.7° | 120.0° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| C5 | C4 | C3 | 119.8° | 120.0° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C4 | C5 | H5 | 119.7° | 120.0° |
| C4 | C3 | H3 | 120.2° | 120.0° |
| C3 | C4 | H4 | 120.1° | 120.0° |
| N13 | C14 | C34 | 108.0° | 109.5° |
| N13 | C14 | C15 | 112.3° | 109.5° |
| N13 | C14 | H14 | 108.7° | 109.4° |
| C14 | N13 | HN13 | 118.7° | 120.0° |
| C34 | C14 | C15 | 112.1° | 109.5° |
| C14 | C34 | C9 | 112.2° | 109.5° |
| C14 | C34 | O10 | 110.0° | 109.5° |
| C34 | C14 | H14 | 107.7° | 109.5° |
| C14 | C34 | H341 | 108.6° | 109.5° |
| C14 | C15 | O38 | 121.9° | 120.0° |
| C14 | C15 | N16 | 117.7° | 120.0° |
| C15 | C14 | H14 | 108.0° | 109.5° |
| C9 | C34 | O10 | 107.2° | 109.5° |
| C9 | C34 | H341 | 108.8° | 109.4° |
| C34 | C9 | H92 | 109.5° | 109.5° |
| C34 | C9 | H9 | 109.5° | 109.5° |
| C34 | C9 | H91 | 109.5° | 109.4° |
| C34 | O10 | C11 | 116.3° | 114.0° |
| O10 | C34 | H341 | 110.0° | 109.5° |
| O38 | C15 | N16 | 120.4° | 120.0° |
| C15 | N16 | C17 | 118.7° | 120.0° |
| C15 | N16 | HN16 | 120.6° | 120.0° |
| N16 | C17 | C27 | 109.0° | 109.5° |
| N16 | C17 | C19 | 112.0° | 109.5° |
| N16 | C17 | H2 | 108.4° | 109.4° |
| C17 | N16 | HN16 | 120.7° | 120.0° |
| C27 | C17 | C19 | 112.2° | 109.5° |
| C17 | C27 | O28 | 110.0° | 109.5° |
| C27 | C17 | H2 | 107.6° | 109.5° |
| C17 | C27 | H271 | 109.4° | 109.5° |
| C17 | C27 | H27 | 109.4° | 109.4° |
| C17 | C19 | C20 | 109.4° | 109.5° |
| C19 | C17 | H2 | 107.4° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.4° |
| C17 | C19 | H19 | 109.5° | 109.5° |
| O28 | C27 | H271 | 109.4° | 109.5° |
| O28 | C27 | H27 | 109.3° | 109.4° |
| C27 | O28 | HO28 | 109.5° | 114.0° |
| C19 | C20 | C24 | 114.0° | 110.5° |
| C19 | C20 | C21 | 111.7° | 110.5° |
| C20 | C19 | H191 | 109.5° | 109.4° |
| C20 | C19 | H19 | 109.5° | 109.5° |
| C19 | C20 | H20 | 109.2° | 110.4° |
| C24 | C20 | C21 | 102.9° | 104.2° |
| C20 | C24 | O26 | 122.9° | 124.9° |
| C20 | C24 | N23 | 111.8° | 110.1° |
| C24 | C20 | H20 | 109.5° | 110.5° |
| C20 | C21 | C22 | 105.5° | 101.8° |
| C21 | C20 | H20 | 109.3° | 110.6° |
| C20 | C21 | H211 | 110.5° | 110.9° |
| C20 | C21 | H21 | 110.5° | 110.9° |
| O26 | C24 | N23 | 125.2° | 124.9° |
| C24 | N23 | C22 | 111.5° | 111.3° |
| C24 | N23 | HN23 | 124.3° | 124.3° |
| C21 | C22 | N23 | 104.4° | 105.5° |
| C22 | C21 | H211 | 110.5° | 110.9° |
| C22 | C21 | H21 | 110.5° | 111.0° |
| C21 | C22 | H22 | 110.7° | 110.3° |
| C21 | C22 | H221 | 110.7° | 110.2° |
| N23 | C22 | H22 | 110.7° | 110.2° |
| N23 | C22 | H221 | 110.7° | 110.2° |
| C22 | N23 | HN23 | 124.3° | 124.4° |
| O10 | C11 | C13 | 110.5° | 109.5° |
| O10 | C11 | C16 | 108.0° | 109.5° |
| O10 | C11 | C18 | 111.3° | 109.5° |
| C13 | C11 | C16 | 109.5° | 109.5° |
| C13 | C11 | C18 | 109.3° | 109.5° |
| C11 | C13 | H132 | 109.5° | 109.4° |
| C11 | C13 | H13 | 109.5° | 109.5° |
| C11 | C13 | H131 | 109.5° | 109.4° |
| C16 | C11 | C18 | 108.2° | 109.5° |
| C11 | C16 | H162 | 109.5° | 109.4° |
| C11 | C16 | H161 | 109.5° | 109.5° |
| C11 | C16 | H16 | 109.5° | 109.4° |
| C11 | C18 | H181 | 109.5° | 109.4° |
| C11 | C18 | H18 | 109.5° | 109.4° |
| C11 | C18 | H182 | 109.5° | 109.5° |
| H1 | C1 | H11 | 109.4° | 109.4° |
| H132 | C13 | H13 | 109.4° | 109.5° |
| H132 | C13 | H131 | 109.4° | 109.5° |
| H13 | C13 | H131 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H162 | C16 | H16 | 109.5° | 109.4° |
| H161 | C16 | H16 | 109.5° | 109.5° |
| H181 | C18 | H18 | 109.4° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H18 | C18 | H182 | 109.5° | 109.5° |
| H191 | C19 | H19 | 109.5° | 109.5° |
| H211 | C21 | H21 | 109.4° | 111.0° |
| H22 | C22 | H221 | 109.5° | 110.3° |
| H271 | C27 | H27 | 109.5° | 109.5° |
| H92 | C9 | H9 | 109.5° | 109.5° |
| H92 | C9 | H91 | 109.5° | 109.5° |
| H9 | C9 | H91 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | C12 | O11 | N13 | 179.9° | 180.0° |
| O33 | C12 | O11 | C1 | 2.6° | 0.0° |
| O33 | C12 | N13 | C14 | 6.6° | 0.0° |
| O33 | C12 | N13 | HN13 | 173.4° | 180.0° |
| C12 | O11 | C1 | C2 | 80.4° | 180.0° |
| O11 | C12 | N13 | C14 | 173.3° | 180.0° |
| C12 | O11 | C1 | H1 | 159.7° | 60.0° |
| C12 | O11 | C1 | H11 | 39.5° | 60.0° |
| O11 | C12 | N13 | HN13 | 6.8° | 0.0° |
| N13 | C12 | O11 | C1 | 177.3° | 180.0° |
| C12 | N13 | C14 | HN13 | 180.0° | 180.0° |
| C12 | N13 | C14 | C34 | 173.2° | 85.0° |
| C12 | N13 | C14 | C15 | 62.7° | 155.0° |
| C12 | N13 | C14 | H14 | 56.6° | 35.0° |
| O11 | C1 | C2 | H1 | 119.9° | 120.0° |
| O11 | C1 | C2 | H11 | 119.9° | 120.0° |
| O11 | C1 | C2 | C7 | 11.6° | 90.0° |
| O11 | C1 | C2 | C3 | 168.1° | 89.7° |
| O11 | C1 | H1 | H11 | 120.5° | 120.0° |
| C1 | C2 | C7 | C3 | 179.8° | 179.7° |
| C1 | C2 | C7 | C6 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C2 | C1 | H1 | H11 | 120.5° | 120.0° |
| C1 | C2 | C3 | H3 | 0.0° | 0.0° |
| C1 | C2 | C7 | H7 | 0.1° | 0.0° |
| C2 | C7 | C6 | H7 | 180.0° | 179.6° |
| C2 | C7 | C6 | C5 | 0.2° | 0.6° |
| C7 | C2 | C3 | C4 | 0.3° | 0.3° |
| C7 | C2 | C1 | H1 | 108.2° | 150.0° |
| C7 | C2 | C1 | H11 | 131.5° | 30.0° |
| C7 | C2 | C3 | H3 | 179.8° | 179.7° |
| C2 | C7 | C6 | H6 | 179.8° | 179.7° |
| C3 | C2 | C7 | C6 | 0.3° | 0.6° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 72.0° | 30.3° |
| C3 | C2 | C1 | H11 | 48.3° | 150.3° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C3 | C2 | C7 | H7 | 179.7° | 179.7° |
| C7 | C6 | C5 | H6 | 180.0° | 179.7° |
| C7 | C6 | C5 | C4 | 0.1° | 0.4° |
| C7 | C6 | C5 | H5 | 179.9° | 179.7° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.1° | 0.1° |
| C6 | C5 | C4 | H4 | 179.9° | 179.9° |
| C5 | C6 | C7 | H7 | 179.8° | 179.7° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| N13 | C14 | C34 | C15 | 124.2° | 120.0° |
| N13 | C14 | C34 | H14 | 117.2° | 120.0° |
| N13 | C14 | C15 | H14 | 119.8° | 120.0° |
| N13 | C14 | C34 | C9 | 80.0° | 178.9° |
| N13 | C14 | C34 | O10 | 39.2° | 61.1° |
| N13 | C14 | C15 | O38 | 39.5° | 20.9° |
| N13 | C14 | C15 | N16 | 139.0° | 159.1° |
| N13 | C14 | C34 | H341 | 159.7° | 59.0° |
| C34 | C14 | C15 | H14 | 118.5° | 120.0° |
| C14 | C34 | C9 | O10 | 120.8° | 120.0° |
| C14 | C34 | C9 | H341 | 120.3° | 120.0° |
| C14 | C34 | O10 | H341 | 119.6° | 120.0° |
| C34 | C14 | C15 | O38 | 82.3° | 99.1° |
| C34 | C14 | C15 | N16 | 99.2° | 80.9° |
| C14 | C34 | O10 | C11 | 116.2° | 138.8° |
| C14 | C34 | C9 | H92 | 180.0° | 54.6° |
| C14 | C34 | C9 | H9 | 60.0° | 174.6° |
| C14 | C34 | C9 | H91 | 60.0° | 65.4° |
| C34 | C14 | N13 | HN13 | 6.8° | 95.0° |
| C15 | C14 | C34 | C9 | 44.2° | 61.1° |
| C15 | C14 | C34 | O10 | 163.4° | 59.0° |
| C14 | C15 | O38 | N16 | 178.5° | 180.0° |
| C14 | C15 | N16 | C17 | 179.1° | 173.9° |
| C15 | C14 | C34 | H341 | 76.1° | 179.0° |
| C15 | C14 | N13 | HN13 | 117.3° | 25.0° |
| C14 | C15 | N16 | HN16 | 0.9° | 6.2° |
| C9 | C34 | O10 | H341 | 118.2° | 120.0° |
| C9 | C34 | O10 | C11 | 121.5° | 101.1° |
| C9 | C34 | C14 | H14 | 162.8° | 59.0° |
| C34 | C9 | H92 | H9 | 120.0° | 120.0° |
| C34 | C9 | H92 | H91 | 120.0° | 120.0° |
| C34 | C9 | H9 | H91 | 120.0° | 120.0° |
| C34 | O10 | C11 | C13 | 81.8° | 65.1° |
| C34 | O10 | C11 | C16 | 158.4° | 54.9° |
| C34 | O10 | C11 | C18 | 39.8° | 174.9° |
| O10 | C34 | C14 | H14 | 78.0° | 179.0° |
| O10 | C34 | C9 | H92 | 59.2° | 174.6° |
| O10 | C34 | C9 | H9 | 60.8° | 65.3° |
| O10 | C34 | C9 | H91 | 179.2° | 54.6° |
| O38 | C15 | N16 | C17 | 0.6° | 6.1° |
| O38 | C15 | C14 | H14 | 159.3° | 140.9° |
| O38 | C15 | N16 | HN16 | 179.4° | 173.8° |
| C15 | N16 | C17 | HN16 | 180.0° | 179.9° |
| C15 | N16 | C17 | C27 | 119.6° | 84.9° |
| C15 | N16 | C17 | C19 | 115.6° | 155.0° |
| N16 | C15 | C14 | H14 | 19.2° | 39.1° |
| C15 | N16 | C17 | H2 | 2.7° | 35.0° |
| N16 | C17 | C27 | C19 | 124.6° | 120.1° |
| N16 | C17 | C27 | H2 | 117.4° | 119.9° |
| N16 | C17 | C19 | H2 | 119.0° | 120.0° |
| N16 | C17 | C27 | O28 | 172.8° | 65.1° |
| N16 | C17 | C19 | C20 | 58.1° | 64.9° |
| N16 | C17 | C19 | H191 | 61.9° | 55.0° |
| N16 | C17 | C19 | H19 | 178.1° | 175.0° |
| N16 | C17 | C27 | H271 | 67.1° | 55.0° |
| N16 | C17 | C27 | H27 | 52.7° | 175.0° |
| C27 | C17 | C19 | H2 | 118.1° | 120.0° |
| C17 | C27 | O28 | H271 | 120.1° | 120.1° |
| C17 | C27 | O28 | H27 | 120.1° | 119.9° |
| C27 | C17 | C19 | C20 | 179.0° | 175.0° |
| C27 | C17 | C19 | H191 | 61.0° | 65.0° |
| C27 | C17 | C19 | H19 | 59.0° | 55.0° |
| C17 | C27 | H271 | H27 | 119.8° | 120.0° |
| C27 | C17 | N16 | HN16 | 60.4° | 95.0° |
| C17 | C27 | O28 | HO28 | 180.0° | 180.0° |
| C19 | C17 | C27 | O28 | 62.6° | 55.0° |
| C17 | C19 | C20 | H191 | 120.0° | 119.9° |
| C17 | C19 | C20 | H19 | 120.0° | 120.1° |
| C17 | C19 | C20 | C24 | 172.0° | 66.4° |
| C17 | C19 | C20 | C21 | 71.8° | 178.8° |
| C17 | C19 | H191 | H19 | 120.0° | 120.0° |
| C17 | C19 | C20 | H20 | 49.1° | 56.2° |
| C19 | C17 | C27 | H271 | 57.5° | 175.1° |
| C19 | C17 | C27 | H27 | 177.4° | 65.0° |
| C19 | C17 | N16 | HN16 | 64.3° | 25.1° |
| O28 | C27 | C17 | H2 | 55.4° | 175.0° |
| O28 | C27 | H271 | H27 | 119.8° | 120.0° |
| C19 | C20 | C24 | C21 | 121.2° | 118.7° |
| C19 | C20 | C24 | H20 | 122.7° | 122.5° |
| C19 | C20 | C21 | H20 | 120.9° | 122.5° |
| C19 | C20 | C24 | O26 | 54.0° | 77.5° |
| C19 | C20 | C24 | N23 | 127.7° | 102.4° |
| C19 | C20 | C21 | C22 | 138.7° | 93.9° |
| C20 | C19 | C17 | H2 | 60.9° | 55.0° |
| C20 | C19 | H191 | H19 | 120.0° | 120.0° |
| C19 | C20 | C21 | H211 | 19.3° | 24.2° |
| C19 | C20 | C21 | H21 | 101.9° | 148.0° |
| C24 | C20 | C21 | H20 | 116.3° | 118.8° |
| C20 | C24 | O26 | N23 | 178.0° | 179.9° |
| C24 | C20 | C21 | C22 | 15.9° | 24.8° |
| C20 | C24 | N23 | C22 | 6.5° | 0.4° |
| C24 | C20 | C19 | H191 | 52.0° | 53.5° |
| C24 | C20 | C19 | H19 | 68.0° | 173.5° |
| C24 | C20 | C21 | H211 | 103.5° | 142.9° |
| C24 | C20 | C21 | H21 | 135.3° | 93.3° |
| C20 | C24 | N23 | HN23 | 173.5° | 179.6° |
| C21 | C20 | C24 | O26 | 175.2° | 163.8° |
| C21 | C20 | C24 | N23 | 6.5° | 16.3° |
| C20 | C21 | C22 | H211 | 119.4° | 118.1° |
| C20 | C21 | C22 | H21 | 119.4° | 118.1° |
| C20 | C21 | C22 | N23 | 19.8° | 25.4° |
| C21 | C20 | C19 | H191 | 168.2° | 61.3° |
| C21 | C20 | C19 | H19 | 48.2° | 58.7° |
| C20 | C21 | H211 | H21 | 121.8° | 123.8° |
| C20 | C21 | C22 | H22 | 138.9° | 93.6° |
| C20 | C21 | C22 | H221 | 99.4° | 144.4° |
| O26 | C24 | N23 | C22 | 171.7° | 179.6° |
| O26 | C24 | C20 | H20 | 68.7° | 44.9° |
| O26 | C24 | N23 | HN23 | 8.3° | 0.4° |
| C24 | N23 | C22 | C21 | 16.6° | 17.0° |
| C24 | N23 | C22 | HN23 | 180.0° | 180.0° |
| N23 | C24 | C20 | H20 | 109.6° | 135.1° |
| C24 | N23 | C22 | H22 | 135.7° | 102.0° |
| C24 | N23 | C22 | H221 | 102.6° | 136.0° |
| C21 | C22 | N23 | H22 | 119.2° | 119.0° |
| C21 | C22 | N23 | H221 | 119.2° | 119.0° |
| C22 | C21 | C20 | H20 | 100.4° | 143.6° |
| C22 | C21 | H211 | H21 | 121.9° | 123.9° |
| C21 | C22 | H22 | H221 | 122.4° | 122.0° |
| C21 | C22 | N23 | HN23 | 163.4° | 163.0° |
| N23 | C22 | C21 | H211 | 99.6° | 143.5° |
| N23 | C22 | C21 | H21 | 139.1° | 92.7° |
| N23 | C22 | H22 | H221 | 122.3° | 121.9° |
| O10 | C11 | C13 | C16 | 118.8° | 120.0° |
| O10 | C11 | C13 | C18 | 122.8° | 120.0° |
| O10 | C11 | C16 | C18 | 120.5° | 120.0° |
| O10 | C11 | C13 | H132 | 180.0° | 60.0° |
| O10 | C11 | C13 | H13 | 60.0° | 180.0° |
| O10 | C11 | C13 | H131 | 60.0° | 60.0° |
| O10 | C11 | C16 | H162 | 180.0° | 66.4° |
| O10 | C11 | C16 | H161 | 60.0° | 173.6° |
| O10 | C11 | C16 | H16 | 60.0° | 53.5° |
| O10 | C11 | C18 | H181 | 180.0° | 60.0° |
| O10 | C11 | C18 | H18 | 60.0° | 180.0° |
| O10 | C11 | C18 | H182 | 60.0° | 60.0° |
| C11 | O10 | C34 | H341 | 3.4° | 18.8° |
| C13 | C11 | C16 | C18 | 119.1° | 120.0° |
| C11 | C13 | H132 | H13 | 120.0° | 120.0° |
| C11 | C13 | H132 | H131 | 120.0° | 119.9° |
| C11 | C13 | H13 | H131 | 120.0° | 120.0° |
| C13 | C11 | C16 | H162 | 59.7° | 53.6° |
| C13 | C11 | C16 | H161 | 179.7° | 66.4° |
| C13 | C11 | C16 | H16 | 60.3° | 173.5° |
| C13 | C11 | C18 | H181 | 57.7° | 180.0° |
| C13 | C11 | C18 | H18 | 62.3° | 60.0° |
| C13 | C11 | C18 | H182 | 177.7° | 60.0° |
| C16 | C11 | C13 | H132 | 61.2° | 180.0° |
| C16 | C11 | C13 | H13 | 58.8° | 60.0° |
| C16 | C11 | C13 | H131 | 178.8° | 60.0° |
| C11 | C16 | H162 | H161 | 120.0° | 120.0° |
| C11 | C16 | H162 | H16 | 120.0° | 119.9° |
| C11 | C16 | H161 | H16 | 120.0° | 120.0° |
| C16 | C11 | C18 | H181 | 61.5° | 60.0° |
| C16 | C11 | C18 | H18 | 178.5° | 60.0° |
| C16 | C11 | C18 | H182 | 58.5° | 180.0° |
| C18 | C11 | C13 | H132 | 57.3° | 60.0° |
| C18 | C11 | C13 | H13 | 177.3° | 60.0° |
| C18 | C11 | C13 | H131 | 62.7° | 180.0° |
| C18 | C11 | C16 | H162 | 59.5° | 173.6° |
| C18 | C11 | C16 | H161 | 60.5° | 53.6° |
| C18 | C11 | C16 | H16 | 179.5° | 66.5° |
| C11 | C18 | H181 | H18 | 120.0° | 119.9° |
| C11 | C18 | H181 | H182 | 120.0° | 120.0° |
| C11 | C18 | H18 | H182 | 120.0° | 120.0° |
| H132 | C13 | H13 | H131 | 119.9° | 120.1° |
| H14 | C14 | C34 | H341 | 42.5° | 61.0° |
| H14 | C14 | N13 | HN13 | 123.3° | 145.1° |
| H162 | C16 | H161 | H16 | 120.0° | 120.0° |
| H2 | C17 | C19 | H191 | 179.1° | 175.0° |
| H2 | C17 | C19 | H19 | 59.1° | 65.1° |
| H2 | C17 | C27 | H271 | 175.5° | 64.9° |
| H2 | C17 | C27 | H27 | 64.7° | 55.0° |
| H2 | C17 | N16 | HN16 | 177.3° | 145.0° |
| H181 | C18 | H18 | H182 | 120.0° | 120.1° |
| H191 | C19 | C20 | H20 | 70.8° | 176.1° |
| H19 | C19 | C20 | H20 | 169.1° | 63.9° |
| H20 | C20 | C21 | H211 | 140.2° | 98.3° |
| H20 | C20 | C21 | H21 | 19.0° | 25.5° |
| H211 | C21 | C22 | H22 | 19.6° | 24.5° |
| H211 | C21 | C22 | H221 | 141.2° | 97.5° |
| H21 | C21 | C22 | H22 | 101.7° | 148.3° |
| H21 | C21 | C22 | H221 | 20.0° | 26.3° |
| H22 | C22 | N23 | HN23 | 44.2° | 77.9° |
| H221 | C22 | N23 | HN23 | 77.4° | 44.0° |
| H271 | C27 | O28 | HO28 | 59.9° | 59.9° |
| H27 | C27 | O28 | HO28 | 60.0° | 60.1° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| H341 | C34 | C9 | H92 | 59.7° | 65.4° |
| H341 | C34 | C9 | H9 | 179.7° | 54.7° |
| H341 | C34 | C9 | H91 | 60.3° | 174.7° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H6 | C6 | C7 | H7 | 0.2° | 0.0° |
| H92 | C9 | H9 | H91 | 120.0° | 120.0° |
