HY2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C1A | sing | 1.55Å | 1.54Å | |
| C1 | C2D | sing | 1.55Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| O2 | C7 | sing | 1.36Å | 1.39Å | |
| O2 | C12 | sing | 1.43Å | 1.44Å | |
| C3 | N4 | sing | 1.46Å | 1.47Å | |
| C3 | C2D | sing | 1.55Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| N4 | C1A | sing | 1.49Å | 1.46Å | |
| N4 | C5D | sing | 1.36Å | 1.35Å | |
| O5 | C5D | doub | 1.22Å | 1.23Å | |
| C7 | C6D | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C8D | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C8D | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C9A | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N10 | C11 | sing | 1.49Å | 1.47Å | |
| N10 | C9A | sing | 1.37Å | 1.38Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C11 | C1A | sing | 1.60Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C13 | O13 | sing | 1.43Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| O13 | C8D | sing | 1.36Å | 1.39Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | N16 | sing | 1.47Å | 1.51Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| N16 | C17 | sing | 1.47Å | 1.50Å | |
| N16 | C21 | sing | 1.47Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | N19 | sing | 1.47Å | 1.49Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| N19 | C20 | sing | 1.47Å | 1.48Å | |
| N19 | C22 | sing | 1.47Å | 1.48Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | N24 | sing | 1.46Å | 1.50Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| N24 | C25 | sing | 1.35Å | 1.37Å | |
| N24 | C36 | sing | 1.35Å | 1.37Å | |
| C25 | O25 | doub | 1.22Å | 1.22Å | |
| C25 | C26 | sing | 1.47Å | 1.50Å | |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C34 | sing | 1.41Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | doub | 1.37Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.41Å | 1.39Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| C2D | H2DA | sing | 1.09Å | 1.10Å | |
| C30 | C31 | doub | 1.41Å | 1.40Å | Aromatic |
| C30 | C34 | sing | 1.41Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.37Å | 1.39Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | doub | 1.41Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.47Å | 1.50Å | |
| C36 | O36 | doub | 1.22Å | 1.22Å | |
| C5A | C5D | sing | 1.50Å | 1.52Å | |
| C5A | C6D | sing | 1.39Å | 1.41Å | Aromatic |
| C5A | C9A | doub | 1.38Å | 1.41Å | Aromatic |
| C6D | H6D | sing | 1.08Å | 1.08Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1A | C1 | C2D | 104.1° | 104.4° |
| C1A | C1 | H1 | 111.3° | 110.5° |
| C1A | C1 | H1B | 111.3° | 110.4° |
| C1 | C1A | N4 | 105.7° | 105.5° |
| C1 | C1A | C11 | 110.8° | 103.4° |
| C1 | C1A | H1A | 111.4° | 113.4° |
| C2D | C1 | H1 | 111.3° | 110.5° |
| C2D | C1 | H1B | 111.3° | 110.5° |
| C1 | C2D | C3 | 102.4° | 101.8° |
| C1 | C2D | H2D | 111.9° | 110.9° |
| C1 | C2D | H2DA | 111.9° | 110.9° |
| H1 | C1 | H1B | 107.5° | 110.5° |
| C7 | O2 | C12 | 123.5° | 117.0° |
| O2 | C7 | C6D | 122.4° | 120.1° |
| O2 | C7 | C8D | 118.1° | 120.1° |
| O2 | C12 | H12 | 109.5° | 109.5° |
| O2 | C12 | H12A | 109.5° | 109.5° |
| O2 | C12 | H12B | 109.5° | 109.5° |
| N4 | C3 | C2D | 107.0° | 103.2° |
| N4 | C3 | H3 | 110.3° | 110.6° |
| N4 | C3 | H3A | 110.3° | 110.7° |
| C3 | N4 | C1A | 109.5° | 109.1° |
| C3 | N4 | C5D | 124.6° | 130.4° |
| C2D | C3 | H3 | 110.3° | 110.7° |
| C2D | C3 | H3A | 110.3° | 110.7° |
| C3 | C2D | H2D | 111.9° | 110.9° |
| C3 | C2D | H2DA | 111.9° | 111.0° |
| H3 | C3 | H3A | 108.6° | 110.7° |
| C1A | N4 | C5D | 123.2° | 120.3° |
| N4 | C1A | C11 | 110.2° | 106.0° |
| N4 | C1A | H1A | 112.0° | 113.4° |
| N4 | C5D | O5 | 119.0° | 122.2° |
| N4 | C5D | C5A | 117.9° | 115.7° |
| O5 | C5D | C5A | 123.1° | 122.2° |
| C6D | C7 | C8D | 119.5° | 119.7° |
| C7 | C6D | C5A | 121.7° | 118.1° |
| C7 | C6D | H6D | 119.2° | 121.0° |
| C7 | C8D | C9 | 119.5° | 121.3° |
| C7 | C8D | O13 | 119.3° | 119.4° |
| C8D | C9 | C9A | 121.5° | 119.1° |
| C8D | C9 | H9 | 119.2° | 120.4° |
| C9 | C8D | O13 | 121.3° | 119.3° |
| C9A | C9 | H9 | 119.2° | 120.5° |
| C9 | C9A | N10 | 114.5° | 121.4° |
| C9 | C9A | C5A | 119.6° | 118.6° |
| C11 | N10 | C9A | 126.4° | 121.1° |
| C11 | N10 | HN10 | 104.2° | 119.5° |
| N10 | C11 | C1A | 113.4° | 101.0° |
| N10 | C11 | H11 | 108.2° | 111.1° |
| N10 | C11 | H11A | 108.2° | 111.1° |
| C9A | N10 | HN10 | 104.1° | 119.4° |
| N10 | C9A | C5A | 125.5° | 119.9° |
| C1A | C11 | H11 | 108.2° | 111.2° |
| C11 | C1A | H1A | 106.8° | 114.2° |
| C1A | C11 | H11A | 108.2° | 111.1° |
| H11 | C11 | H11A | 110.8° | 111.0° |
| H12 | C12 | H12A | 109.4° | 109.5° |
| H12 | C12 | H12B | 109.4° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.4° |
| O13 | C13 | C14 | 109.6° | 109.5° |
| O13 | C13 | H13 | 109.4° | 109.5° |
| O13 | C13 | H13A | 109.4° | 109.4° |
| C13 | O13 | C8D | 119.8° | 117.0° |
| C14 | C13 | H13 | 109.4° | 109.5° |
| C14 | C13 | H13A | 109.4° | 109.4° |
| C13 | C14 | C15 | 110.2° | 109.5° |
| C13 | C14 | H14 | 109.2° | 109.5° |
| C13 | C14 | H14A | 109.2° | 109.4° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| C15 | C14 | H14 | 109.2° | 109.5° |
| C15 | C14 | H14A | 109.2° | 109.5° |
| C14 | C15 | N16 | 111.2° | 109.5° |
| C14 | C15 | H15 | 108.9° | 109.5° |
| C14 | C15 | H15A | 108.9° | 109.5° |
| H14 | C14 | H14A | 109.7° | 109.5° |
| N16 | C15 | H15 | 108.9° | 109.4° |
| N16 | C15 | H15A | 108.9° | 109.4° |
| C15 | N16 | C17 | 107.2° | 111.0° |
| C15 | N16 | C21 | 110.7° | 111.0° |
| H15 | C15 | H15A | 110.1° | 109.5° |
| C17 | N16 | C21 | 109.9° | 110.9° |
| N16 | C17 | C18 | 111.6° | 109.3° |
| N16 | C17 | H17 | 108.8° | 109.5° |
| N16 | C17 | H17A | 108.8° | 109.5° |
| N16 | C21 | C20 | 110.2° | 109.3° |
| N16 | C21 | H21 | 109.3° | 109.5° |
| N16 | C21 | H21A | 109.2° | 109.5° |
| C18 | C17 | H17 | 108.8° | 109.5° |
| C18 | C17 | H17A | 108.8° | 109.4° |
| C17 | C18 | N19 | 110.9° | 109.3° |
| C17 | C18 | H18 | 109.0° | 109.5° |
| C17 | C18 | H18A | 109.0° | 109.5° |
| H17 | C17 | H17A | 110.1° | 109.5° |
| N19 | C18 | H18 | 109.0° | 109.5° |
| N19 | C18 | H18A | 109.0° | 109.5° |
| C18 | N19 | C20 | 111.6° | 110.9° |
| C18 | N19 | C22 | 113.1° | 111.0° |
| H18 | C18 | H18A | 109.9° | 109.5° |
| C20 | N19 | C22 | 112.0° | 111.0° |
| N19 | C20 | C21 | 109.7° | 109.3° |
| N19 | C20 | H20 | 109.4° | 109.5° |
| N19 | C20 | H20A | 109.4° | 109.5° |
| N19 | C22 | C23 | 112.1° | 109.5° |
| N19 | C22 | H22 | 108.6° | 109.5° |
| N19 | C22 | H22A | 108.6° | 109.4° |
| C21 | C20 | H20 | 109.4° | 109.5° |
| C21 | C20 | H20A | 109.4° | 109.5° |
| C20 | C21 | H21 | 109.2° | 109.4° |
| C20 | C21 | H21A | 109.3° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.7° | 109.5° |
| C23 | C22 | H22 | 108.6° | 109.5° |
| C23 | C22 | H22A | 108.6° | 109.5° |
| C22 | C23 | N24 | 114.3° | 109.5° |
| C22 | C23 | H23 | 107.9° | 109.5° |
| C22 | C23 | H23A | 107.9° | 109.5° |
| H22 | C22 | H22A | 110.3° | 109.5° |
| N24 | C23 | H23 | 107.9° | 109.5° |
| N24 | C23 | H23A | 107.9° | 109.5° |
| C23 | N24 | C25 | 119.5° | 118.8° |
| C23 | N24 | C36 | 117.7° | 118.8° |
| H23 | C23 | H23A | 111.0° | 109.5° |
| C25 | N24 | C36 | 122.7° | 122.4° |
| N24 | C25 | O25 | 122.2° | 119.8° |
| N24 | C25 | C26 | 118.1° | 120.4° |
| N24 | C36 | C35 | 118.7° | 120.4° |
| N24 | C36 | O36 | 121.5° | 119.8° |
| O25 | C25 | C26 | 119.7° | 119.8° |
| C25 | C26 | C27 | 119.9° | 122.3° |
| C25 | C26 | C34 | 121.0° | 118.7° |
| C27 | C26 | C34 | 119.1° | 119.1° |
| C26 | C27 | C28 | 120.5° | 120.1° |
| C26 | C27 | H27 | 119.7° | 120.0° |
| C26 | C34 | C30 | 120.7° | 120.3° |
| C26 | C34 | C35 | 118.9° | 119.5° |
| C28 | C27 | H27 | 119.8° | 119.9° |
| C27 | C28 | C29 | 120.0° | 121.6° |
| C27 | C28 | H28 | 120.0° | 119.2° |
| C29 | C28 | H28 | 120.0° | 119.2° |
| C28 | C29 | C30 | 120.0° | 120.0° |
| C28 | C29 | H29 | 120.0° | 120.0° |
| C30 | C29 | H29 | 120.0° | 120.0° |
| C29 | C30 | C31 | 120.4° | 122.2° |
| C29 | C30 | C34 | 119.7° | 118.9° |
| H2D | C2D | H2DA | 106.9° | 110.9° |
| C31 | C30 | C34 | 119.9° | 118.9° |
| C30 | C31 | C32 | 119.9° | 120.0° |
| C30 | C31 | H31 | 120.0° | 120.0° |
| C30 | C34 | C35 | 120.5° | 120.2° |
| C32 | C31 | H31 | 120.1° | 120.0° |
| C31 | C32 | C33 | 120.0° | 121.6° |
| C31 | C32 | H32 | 120.0° | 119.2° |
| C33 | C32 | H32 | 120.0° | 119.2° |
| C32 | C33 | C35 | 120.4° | 120.1° |
| C32 | C33 | H33 | 119.8° | 119.9° |
| C35 | C33 | H33 | 119.8° | 120.0° |
| C33 | C35 | C34 | 119.4° | 119.1° |
| C33 | C35 | C36 | 120.0° | 122.3° |
| C34 | C35 | C36 | 120.6° | 118.7° |
| C35 | C36 | O36 | 119.9° | 119.9° |
| C5D | C5A | C6D | 117.2° | 122.8° |
| C5D | C5A | C9A | 124.5° | 114.2° |
| C6D | C5A | C9A | 118.2° | 122.9° |
| C5A | C6D | H6D | 119.2° | 120.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1A | C1 | C2D | H1 | 120.0° | 118.8° |
| C1A | C1 | C2D | H1B | 120.0° | 118.7° |
| C1A | C1 | H1 | H1B | 122.2° | 122.5° |
| C1 | C1A | N4 | C3 | 10.1° | 13.0° |
| C1A | C1 | C2D | C3 | 33.6° | 32.0° |
| C1 | C1A | N4 | C11 | 119.8° | 109.2° |
| C1 | C1A | N4 | H1A | 121.4° | 124.7° |
| C1 | C1A | N4 | C5D | 152.0° | 162.7° |
| C1 | C1A | C11 | N10 | 164.1° | 157.0° |
| C1 | C1A | C11 | H1A | 121.5° | 123.7° |
| C1 | C1A | C11 | H11 | 44.2° | 39.0° |
| C1A | C1 | C2D | H2D | 86.4° | 150.1° |
| C1A | C1 | C2D | H2DA | 153.6° | 86.2° |
| C1 | C1A | C11 | H11A | 75.9° | 85.1° |
| C2D | C1 | H1 | H1B | 122.2° | 122.5° |
| C1 | C2D | C3 | N4 | 28.1° | 40.0° |
| C1 | C2D | C3 | H2D | 120.0° | 118.1° |
| C1 | C2D | C3 | H2DA | 120.0° | 118.1° |
| C1 | C2D | C3 | H3 | 91.9° | 158.4° |
| C1 | C2D | C3 | H3A | 148.1° | 78.4° |
| C2D | C1 | C1A | N4 | 27.6° | 12.9° |
| C2D | C1 | C1A | C11 | 91.8° | 124.1° |
| C2D | C1 | C1A | H1A | 149.4° | 111.7° |
| C1 | C2D | H2D | H2DA | 122.9° | 123.8° |
| H1 | C1 | C2D | C3 | 153.6° | 86.8° |
| H1 | C1 | C1A | N4 | 147.7° | 105.8° |
| H1 | C1 | C1A | C11 | 28.2° | 5.3° |
| H1 | C1 | C1A | H1A | 90.6° | 129.5° |
| H1 | C1 | C2D | H2D | 33.6° | 31.3° |
| H1 | C1 | C2D | H2DA | 86.4° | 155.1° |
| H1B | C1 | C2D | C3 | 86.4° | 150.7° |
| H1B | C1 | C1A | N4 | 92.4° | 131.7° |
| H1B | C1 | C1A | C11 | 148.2° | 117.2° |
| H1B | C1 | C1A | H1A | 29.4° | 7.0° |
| H1B | C1 | C2D | H2D | 153.6° | 91.2° |
| H1B | C1 | C2D | H2DA | 33.6° | 32.6° |
| O2 | C7 | C6D | C8D | 179.4° | 179.9° |
| O2 | C7 | C8D | C9 | 179.8° | 177.9° |
| C7 | O2 | C12 | H12 | 180.0° | 180.0° |
| C7 | O2 | C12 | H12A | 60.0° | 60.0° |
| C7 | O2 | C12 | H12B | 60.0° | 60.0° |
| O2 | C7 | C8D | O13 | 0.6° | 2.0° |
| O2 | C7 | C6D | C5A | 178.3° | 179.7° |
| O2 | C7 | C6D | H6D | 1.7° | 0.3° |
| C12 | O2 | C7 | C6D | 10.8° | 0.0° |
| C12 | O2 | C7 | C8D | 169.8° | 179.9° |
| O2 | C12 | H12 | H12A | 120.0° | 120.0° |
| O2 | C12 | H12 | H12B | 120.0° | 120.0° |
| O2 | C12 | H12A | H12B | 120.0° | 120.0° |
| N4 | C3 | C2D | H3 | 120.0° | 118.4° |
| N4 | C3 | C2D | H3A | 120.0° | 118.4° |
| N4 | C3 | H3 | H3A | 121.0° | 123.1° |
| C3 | N4 | C1A | C5D | 162.2° | 175.6° |
| C3 | N4 | C5D | O5 | 17.7° | 6.3° |
| C3 | N4 | C1A | C11 | 109.7° | 96.3° |
| C3 | N4 | C1A | H1A | 131.5° | 137.7° |
| N4 | C3 | C2D | H2D | 91.9° | 158.1° |
| N4 | C3 | C2D | H2DA | 148.1° | 78.1° |
| C3 | N4 | C5D | C5A | 163.7° | 173.7° |
| C2D | C3 | H3 | H3A | 121.0° | 123.2° |
| C2D | C3 | N4 | C1A | 11.4° | 33.4° |
| C2D | C3 | N4 | C5D | 173.3° | 141.6° |
| C3 | C2D | H2D | H2DA | 122.8° | 123.9° |
| H3 | C3 | N4 | C1A | 108.6° | 151.8° |
| H3 | C3 | N4 | C5D | 53.3° | 23.2° |
| H3 | C3 | C2D | H2D | 148.1° | 83.5° |
| H3 | C3 | C2D | H2DA | 28.1° | 40.3° |
| H3A | C3 | N4 | C1A | 131.4° | 85.0° |
| H3A | C3 | N4 | C5D | 66.7° | 99.9° |
| H3A | C3 | C2D | H2D | 28.1° | 39.7° |
| H3A | C3 | C2D | H2DA | 91.9° | 163.5° |
| C1A | N4 | C5D | O5 | 141.7° | 168.2° |
| N4 | C1A | C11 | N10 | 47.5° | 46.2° |
| N4 | C1A | C11 | H1A | 121.9° | 125.6° |
| N4 | C1A | C11 | H11 | 72.5° | 71.7° |
| C1A | N4 | C5D | C5A | 36.9° | 11.7° |
| N4 | C1A | C11 | H11A | 167.5° | 164.2° |
| N4 | C5D | O5 | C5A | 178.5° | 180.0° |
| C5D | N4 | C1A | C11 | 88.2° | 88.1° |
| C5D | N4 | C1A | H1A | 30.6° | 38.0° |
| N4 | C5D | C5A | C6D | 167.1° | 130.3° |
| N4 | C5D | C5A | C9A | 17.3° | 50.7° |
| O5 | C5D | C5A | C6D | 11.4° | 49.7° |
| O5 | C5D | C5A | C9A | 164.2° | 129.3° |
| C6D | C7 | C8D | C9 | 0.7° | 2.1° |
| C6D | C7 | C8D | O13 | 179.9° | 177.9° |
| C7 | C6D | C5A | C5D | 177.4° | 175.6° |
| C7 | C6D | C5A | H6D | 180.0° | 180.0° |
| C7 | C6D | C5A | C9A | 1.6° | 3.3° |
| C7 | C8D | C9 | O13 | 179.2° | 179.9° |
| C7 | C8D | C9 | C9A | 2.1° | 0.5° |
| C7 | C8D | C9 | H9 | 177.9° | 179.6° |
| C7 | C8D | O13 | C13 | 143.7° | 179.9° |
| C8D | C7 | C6D | C5A | 1.1° | 0.3° |
| C8D | C7 | C6D | H6D | 178.9° | 179.7° |
| C8D | C9 | C9A | H9 | 180.0° | 179.9° |
| C8D | C9 | C9A | N10 | 175.1° | 174.5° |
| C9 | C8D | O13 | C13 | 37.2° | 0.0° |
| C8D | C9 | C9A | C5A | 1.6° | 3.0° |
| C9 | C9A | N10 | C11 | 134.7° | 99.5° |
| C9 | C9A | N10 | C5A | 173.0° | 177.5° |
| C9 | C9A | N10 | HN10 | 14.7° | 80.5° |
| C9A | C9 | C8D | O13 | 178.7° | 179.6° |
| C9 | C9A | C5A | C5D | 175.8° | 174.0° |
| C9 | C9A | C5A | C6D | 0.2° | 5.0° |
| H9 | C9 | C9A | N10 | 4.9° | 5.5° |
| H9 | C9 | C8D | O13 | 1.2° | 0.3° |
| H9 | C9 | C9A | C5A | 178.4° | 176.9° |
| C11 | N10 | C9A | HN10 | 120.0° | 179.9° |
| N10 | C11 | C1A | H11 | 120.0° | 118.0° |
| N10 | C11 | C1A | H11A | 120.0° | 117.9° |
| N10 | C11 | H11 | H11A | 118.4° | 124.1° |
| N10 | C11 | C1A | H1A | 74.3° | 79.3° |
| C11 | N10 | C9A | C5A | 52.3° | 78.0° |
| C9A | N10 | C11 | C1A | 26.2° | 48.4° |
| C9A | N10 | C11 | H11 | 146.1° | 166.4° |
| N10 | C9A | C5A | C5D | 3.1° | 8.4° |
| N10 | C9A | C5A | C6D | 172.5° | 172.6° |
| C9A | N10 | C11 | H11A | 93.8° | 69.6° |
| HN10 | N10 | C11 | C1A | 146.1° | 131.7° |
| HN10 | N10 | C11 | H11 | 93.9° | 13.7° |
| HN10 | N10 | C9A | C5A | 172.3° | 102.0° |
| HN10 | N10 | C11 | H11A | 26.2° | 110.3° |
| C1A | C11 | H11 | H11A | 118.4° | 124.2° |
| H11 | C11 | C1A | H1A | 165.7° | 162.7° |
| H12 | C12 | H12A | H12B | 119.9° | 120.0° |
| O13 | C13 | C14 | H13 | 120.0° | 120.0° |
| O13 | C13 | C14 | H13A | 120.0° | 119.9° |
| O13 | C13 | H13 | H13A | 120.0° | 119.9° |
| O13 | C13 | C14 | C15 | 61.8° | 180.0° |
| O13 | C13 | C14 | H14 | 58.2° | 59.9° |
| O13 | C13 | C14 | H14A | 178.3° | 60.0° |
| C14 | C13 | H13 | H13A | 119.9° | 120.0° |
| C14 | C13 | O13 | C8D | 174.0° | 180.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 119.9° |
| C13 | C14 | H14 | H14A | 119.7° | 119.9° |
| C13 | C14 | C15 | N16 | 163.3° | 180.0° |
| C13 | C14 | C15 | H15 | 43.3° | 60.0° |
| C13 | C14 | C15 | H15A | 76.7° | 60.1° |
| H13 | C13 | O13 | C8D | 54.0° | 60.0° |
| H13 | C13 | C14 | C15 | 178.2° | 60.0° |
| H13 | C13 | C14 | H14 | 61.8° | 180.0° |
| H13 | C13 | C14 | H14A | 58.3° | 60.0° |
| H13A | C13 | O13 | C8D | 66.0° | 60.0° |
| H13A | C13 | C14 | C15 | 58.2° | 60.1° |
| H13A | C13 | C14 | H14 | 178.2° | 60.0° |
| H13A | C13 | C14 | H14A | 61.7° | 179.9° |
| C15 | C14 | H14 | H14A | 119.7° | 120.1° |
| C14 | C15 | N16 | H15 | 120.0° | 120.0° |
| C14 | C15 | N16 | H15A | 120.0° | 120.0° |
| C14 | C15 | H15 | H15A | 119.3° | 120.1° |
| C14 | C15 | N16 | C17 | 165.4° | 170.0° |
| C14 | C15 | N16 | C21 | 74.8° | 66.2° |
| H14 | C14 | C15 | N16 | 76.7° | 60.0° |
| H14 | C14 | C15 | H15 | 163.3° | NaN° |
| H14 | C14 | C15 | H15A | 43.3° | 60.0° |
| H14A | C14 | C15 | N16 | 43.3° | 60.0° |
| H14A | C14 | C15 | H15 | 76.7° | 60.0° |
| H14A | C14 | C15 | H15A | 163.3° | 180.0° |
| N16 | C15 | H15 | H15A | 119.3° | 119.9° |
| C15 | N16 | C17 | C21 | 120.4° | 123.9° |
| C15 | N16 | C17 | C18 | 175.6° | 176.8° |
| C15 | N16 | C17 | H17 | 55.6° | 63.3° |
| C15 | N16 | C17 | H17A | 64.4° | 56.9° |
| C15 | N16 | C21 | C20 | 175.8° | 176.8° |
| C15 | N16 | C21 | H21 | 64.2° | 56.9° |
| C15 | N16 | C21 | H21A | 55.8° | 63.2° |
| H15 | C15 | N16 | C17 | 74.6° | 70.0° |
| H15 | C15 | N16 | C21 | 45.2° | 53.8° |
| H15A | C15 | N16 | C17 | 45.4° | 50.0° |
| H15A | C15 | N16 | C21 | 165.2° | 173.7° |
| N16 | C17 | C18 | H17 | 120.0° | 120.0° |
| N16 | C17 | C18 | H17A | 120.0° | 120.0° |
| N16 | C17 | H17 | H17A | 119.1° | 120.1° |
| N16 | C17 | C18 | N19 | 54.6° | 58.4° |
| N16 | C17 | C18 | H18 | 174.6° | 178.4° |
| N16 | C17 | C18 | H18A | 65.5° | 61.6° |
| C17 | N16 | C21 | C20 | 57.6° | 59.4° |
| C17 | N16 | C21 | H21 | 177.6° | 179.3° |
| C17 | N16 | C21 | H21A | 62.4° | 60.6° |
| C21 | N16 | C17 | C18 | 55.3° | 59.4° |
| C21 | N16 | C17 | H17 | 64.7° | 60.6° |
| C21 | N16 | C17 | H17A | 175.3° | 179.3° |
| N16 | C21 | C20 | N19 | 59.3° | 58.4° |
| N16 | C21 | C20 | H21 | 120.0° | 119.9° |
| N16 | C21 | C20 | H21A | 120.0° | 120.0° |
| N16 | C21 | C20 | H20 | 179.3° | 178.4° |
| N16 | C21 | C20 | H20A | 60.7° | 61.5° |
| N16 | C21 | H21 | H21A | 119.7° | 120.1° |
| C18 | C17 | H17 | H17A | 119.2° | 120.0° |
| C17 | C18 | N19 | H18 | 120.0° | 120.0° |
| C17 | C18 | N19 | H18A | 120.0° | 120.0° |
| C17 | C18 | H18 | H18A | 119.4° | 120.1° |
| C17 | C18 | N19 | C20 | 56.4° | 59.3° |
| C17 | C18 | N19 | C22 | 176.3° | 176.8° |
| H17 | C17 | C18 | N19 | 65.4° | 61.6° |
| H17 | C17 | C18 | H18 | 54.6° | 58.4° |
| H17 | C17 | C18 | H18A | 174.6° | 178.5° |
| H17A | C17 | C18 | N19 | 174.6° | 178.4° |
| H17A | C17 | C18 | H18 | 65.4° | 61.7° |
| H17A | C17 | C18 | H18A | 54.5° | 58.4° |
| N19 | C18 | H18 | H18A | 119.4° | 120.1° |
| C18 | N19 | C20 | C22 | 127.9° | 123.9° |
| C18 | N19 | C20 | C21 | 58.8° | 59.4° |
| C18 | N19 | C20 | H20 | 178.8° | 179.3° |
| C18 | N19 | C20 | H20A | 61.2° | 60.6° |
| C18 | N19 | C22 | C23 | 68.7° | 170.0° |
| C18 | N19 | C22 | H22 | 51.4° | 50.0° |
| C18 | N19 | C22 | H22A | 171.3° | 70.0° |
| H18 | C18 | N19 | C20 | 176.4° | 179.3° |
| H18 | C18 | N19 | C22 | 56.3° | 56.8° |
| H18A | C18 | N19 | C20 | 63.6° | 60.6° |
| H18A | C18 | N19 | C22 | 63.7° | 63.2° |
| N19 | C20 | C21 | H20 | 120.0° | 119.9° |
| N19 | C20 | C21 | H20A | 120.0° | 120.0° |
| N19 | C20 | H20 | H20A | 119.9° | 120.1° |
| N19 | C20 | C21 | H21 | 179.3° | 178.3° |
| N19 | C20 | C21 | H21A | 60.7° | 61.6° |
| C20 | N19 | C22 | C23 | 164.3° | 66.2° |
| C20 | N19 | C22 | H22 | 75.7° | 173.8° |
| C20 | N19 | C22 | H22A | 44.3° | 53.8° |
| C22 | N19 | C20 | C21 | 173.3° | 176.8° |
| C22 | N19 | C20 | H20 | 53.3° | 56.8° |
| C22 | N19 | C20 | H20A | 66.7° | 63.3° |
| N19 | C22 | C23 | H22 | 120.0° | 120.0° |
| N19 | C22 | C23 | H22A | 120.0° | 120.0° |
| N19 | C22 | H22 | H22A | 118.9° | 119.9° |
| N19 | C22 | C23 | N24 | 65.5° | 180.0° |
| N19 | C22 | C23 | H23 | 54.5° | 60.0° |
| N19 | C22 | C23 | H23A | 174.5° | 60.0° |
| H1A | C1A | C11 | H11A | 45.7° | 38.6° |
| C21 | C20 | H20 | H20A | 119.9° | 120.1° |
| C20 | C21 | H21 | H21A | 119.7° | 120.1° |
| H20 | C20 | C21 | H21 | 60.6° | 61.7° |
| H20 | C20 | C21 | H21A | 59.3° | 58.4° |
| H20A | C20 | C21 | H21 | 59.3° | 58.4° |
| H20A | C20 | C21 | H21A | 179.3° | 178.5° |
| C23 | C22 | H22 | H22A | 118.9° | 120.0° |
| C22 | C23 | N24 | H23 | 120.0° | 120.0° |
| C22 | C23 | N24 | H23A | 120.0° | 120.0° |
| C22 | C23 | H23 | H23A | 118.0° | 120.0° |
| C22 | C23 | N24 | C25 | 104.7° | 90.0° |
| C22 | C23 | N24 | C36 | 79.0° | 90.2° |
| H22 | C22 | C23 | N24 | 174.5° | 60.0° |
| H22 | C22 | C23 | H23 | 65.5° | 180.0° |
| H22 | C22 | C23 | H23A | 54.5° | 60.1° |
| H22A | C22 | C23 | N24 | 54.5° | 60.0° |
| H22A | C22 | C23 | H23 | 174.5° | 60.0° |
| H22A | C22 | C23 | H23A | 65.5° | 180.0° |
| N24 | C23 | H23 | H23A | 118.0° | 120.0° |
| C23 | N24 | C25 | C36 | 176.2° | 179.7° |
| C23 | N24 | C25 | O25 | 1.4° | 0.0° |
| C23 | N24 | C25 | C26 | 176.9° | 180.0° |
| C23 | N24 | C36 | C35 | 179.3° | 179.7° |
| C23 | N24 | C36 | O36 | 0.7° | 0.1° |
| H23 | C23 | N24 | C25 | 15.4° | 30.0° |
| H23 | C23 | N24 | C36 | 161.0° | 149.8° |
| H23A | C23 | N24 | C25 | 135.3° | 150.0° |
| H23A | C23 | N24 | C36 | 41.0° | 29.8° |
| N24 | C25 | O25 | C26 | 178.3° | 180.0° |
| N24 | C25 | C26 | C27 | 177.3° | 179.9° |
| N24 | C25 | C26 | C34 | 2.2° | 0.0° |
| C25 | N24 | C36 | C35 | 3.0° | 0.5° |
| C25 | N24 | C36 | O36 | 177.0° | 179.7° |
| C36 | N24 | C25 | O25 | 177.6° | 179.7° |
| C36 | N24 | C25 | C26 | 0.7° | 0.3° |
| N24 | C36 | C35 | C33 | 177.9° | 179.7° |
| N24 | C36 | C35 | C34 | 2.7° | 0.5° |
| N24 | C36 | C35 | O36 | 180.0° | 179.8° |
| O25 | C25 | C26 | C27 | 1.1° | 0.1° |
| O25 | C25 | C26 | C34 | 179.5° | 180.0° |
| C25 | C26 | C27 | C34 | 179.5° | 179.9° |
| C25 | C26 | C27 | C28 | 178.8° | 180.0° |
| C25 | C26 | C27 | H27 | 1.2° | 0.1° |
| C25 | C26 | C34 | C30 | 178.6° | 179.9° |
| C25 | C26 | C34 | C35 | 2.4° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C27 | C26 | C34 | C30 | 1.9° | 0.0° |
| C27 | C26 | C34 | C35 | 177.0° | 179.9° |
| C34 | C26 | C27 | C28 | 1.7° | 0.0° |
| C34 | C26 | C27 | H27 | 178.3° | 180.0° |
| C26 | C34 | C30 | C29 | 0.4° | 0.1° |
| C26 | C34 | C30 | C31 | 180.0° | 180.0° |
| C26 | C34 | C30 | C35 | 178.9° | 179.9° |
| C26 | C34 | C35 | C33 | 179.4° | 180.0° |
| C26 | C34 | C35 | C36 | 0.0° | 0.2° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 1.4° | 0.0° |
| C27 | C28 | C29 | H29 | 178.5° | 180.0° |
| H27 | C27 | C28 | C29 | 180.0° | 179.9° |
| H27 | C27 | C28 | H28 | 0.0° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 178.3° | 179.9° |
| C28 | C29 | C30 | C34 | 1.3° | 0.1° |
| H28 | C28 | C29 | C30 | 178.5° | 179.9° |
| H28 | C28 | C29 | H29 | 1.5° | 0.0° |
| C29 | C30 | C31 | C34 | 179.5° | 180.0° |
| C29 | C30 | C31 | C32 | 178.8° | 180.0° |
| C29 | C30 | C31 | H31 | 1.2° | 0.0° |
| C29 | C30 | C34 | C35 | 178.5° | 180.0° |
| H29 | C29 | C30 | C31 | 1.8° | 0.0° |
| H29 | C29 | C30 | C34 | 178.7° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.3° | 0.1° |
| C30 | C31 | C32 | H32 | 179.7° | 180.0° |
| C31 | C30 | C34 | C35 | 1.0° | 0.0° |
| C34 | C30 | C31 | C32 | 0.7° | 0.0° |
| C34 | C30 | C31 | H31 | 179.3° | 179.9° |
| C30 | C34 | C35 | C33 | 0.4° | 0.0° |
| C30 | C34 | C35 | C36 | 179.0° | 179.8° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C35 | 0.9° | 0.1° |
| C31 | C32 | C33 | H33 | 179.1° | 180.0° |
| H31 | C31 | C32 | C33 | 179.7° | 180.0° |
| H31 | C31 | C32 | H32 | 0.3° | 0.1° |
| C32 | C33 | C35 | H33 | 180.0° | 180.0° |
| C32 | C33 | C35 | C34 | 0.6° | 0.0° |
| C32 | C33 | C35 | C36 | 179.9° | 179.8° |
| H32 | C32 | C33 | C35 | 179.1° | 180.0° |
| H32 | C32 | C33 | H33 | 0.9° | 0.1° |
| C33 | C35 | C34 | C36 | 179.4° | 179.8° |
| C33 | C35 | C36 | O36 | 2.1° | 0.1° |
| H33 | C33 | C35 | C34 | 179.4° | 180.0° |
| H33 | C33 | C35 | C36 | 0.1° | 0.2° |
| C34 | C35 | C36 | O36 | 177.3° | 179.7° |
| C5D | C5A | C6D | C9A | 175.9° | 178.9° |
| C5D | C5A | C6D | H6D | 2.6° | 4.4° |
| C9A | C5A | C6D | H6D | 178.4° | 176.7° |
