JX2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.38Å | |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.46Å | 1.50Å | |
| C28 | C27 | doub | 1.29Å | 1.32Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C27 | C26 | sing | 1.50Å | 1.50Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C16 | sing | 1.47Å | 1.49Å | |
| C30 | C16 | sing | 1.52Å | 1.53Å | |
| C30 | C25 | sing | 1.53Å | 1.55Å | |
| C7 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.43Å | 1.43Å | |
| C26 | C25 | sing | 1.52Å | 1.55Å | |
| C16 | N2 | doub | 1.30Å | 1.29Å | |
| C8 | C9 | trip | 1.17Å | 1.18Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.43Å | 1.41Å | |
| O2 | C10 | doub | 1.22Å | 1.23Å | |
| N2 | N3 | sing | 1.40Å | 1.38Å | |
| C10 | N1 | sing | 1.35Å | 1.34Å | |
| C24 | N3 | sing | 1.35Å | 1.41Å | |
| C24 | O4 | doub | 1.21Å | 1.22Å | |
| N3 | C17 | sing | 1.46Å | 1.48Å | |
| N1 | C11 | sing | 1.46Å | 1.45Å | |
| C23 | C17 | sing | 1.50Å | 1.52Å | |
| C23 | C22 | sing | 1.54Å | 1.53Å | |
| C17 | C18 | sing | 1.54Å | 1.55Å | |
| C11 | C12 | sing | 1.51Å | 1.48Å | |
| C22 | C21 | sing | 1.54Å | 1.53Å | |
| C18 | C19 | sing | 1.46Å | 1.53Å | |
| C12 | C13 | doub | 1.35Å | 1.34Å | Aromatic |
| C12 | O3 | sing | 1.34Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| O3 | C15 | sing | 1.34Å | 1.36Å | Aromatic |
| C21 | C20 | sing | 1.50Å | 1.52Å | |
| C19 | C20 | sing | 1.54Å | 1.52Å | |
| C14 | C15 | doub | 1.35Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H32 | sing | 1.08Å | 1.08Å | |
| N1 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 117.7° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| C4 | C3 | C2 | 120.2° | 120.3° |
| C3 | C4 | C5 | 120.6° | 120.2° |
| C4 | C3 | H4 | 119.9° | 119.8° |
| C3 | C4 | H32 | 119.7° | 119.9° |
| C3 | C2 | O1 | 124.7° | 120.0° |
| C3 | C2 | C7 | 119.3° | 120.0° |
| C2 | C3 | H4 | 119.9° | 119.9° |
| O1 | C2 | C7 | 115.9° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C4 | C5 | C16 | 122.4° | 120.0° |
| C5 | C4 | H32 | 119.7° | 119.9° |
| C2 | C7 | C6 | 120.2° | 119.8° |
| C2 | C7 | C8 | 120.4° | 120.1° |
| C29 | C28 | C27 | 123.6° | 124.5° |
| C28 | C29 | C30 | 113.9° | 111.9° |
| C29 | C28 | H28 | 118.2° | 117.8° |
| C28 | C29 | H29 | 108.4° | 109.2° |
| C28 | C29 | H30 | 108.4° | 109.2° |
| C28 | C27 | C26 | 124.3° | 123.7° |
| C28 | C27 | H27 | 117.9° | 118.1° |
| C27 | C28 | H28 | 118.2° | 117.7° |
| C29 | C30 | C16 | 111.2° | 107.2° |
| C29 | C30 | C25 | 112.5° | 108.7° |
| C30 | C29 | H29 | 108.3° | 109.1° |
| C30 | C29 | H30 | 108.4° | 108.4° |
| C29 | C30 | H31 | 107.8° | 111.0° |
| C27 | C26 | C25 | 114.5° | 111.4° |
| C27 | C26 | H25 | 108.2° | 109.1° |
| C27 | C26 | H26 | 108.2° | 109.1° |
| C26 | C27 | H27 | 117.8° | 118.2° |
| C6 | C5 | C16 | 117.6° | 120.0° |
| C5 | C6 | C7 | 119.7° | 119.7° |
| C5 | C6 | H5 | 120.1° | 120.2° |
| C5 | C16 | C30 | 119.4° | 120.4° |
| C5 | C16 | N2 | 116.4° | 120.4° |
| C16 | C30 | C25 | 109.3° | 107.0° |
| C30 | C16 | N2 | 124.1° | 119.2° |
| C16 | C30 | H31 | 108.1° | 111.0° |
| C30 | C25 | C26 | 112.3° | 110.0° |
| C30 | C25 | C24 | 108.0° | 108.6° |
| C30 | C25 | H24 | 107.0° | 108.7° |
| C25 | C30 | H31 | 107.8° | 111.7° |
| C6 | C7 | C8 | 119.4° | 120.1° |
| C7 | C6 | H5 | 120.2° | 120.1° |
| C7 | C8 | C9 | 174.8° | 179.9° |
| C26 | C25 | C24 | 114.7° | 112.1° |
| C26 | C25 | H24 | 107.1° | 108.8° |
| C25 | C26 | H25 | 108.2° | 109.1° |
| C25 | C26 | H26 | 108.2° | 109.1° |
| C16 | N2 | N3 | 117.5° | 121.3° |
| C8 | C9 | C10 | 173.3° | 179.9° |
| C25 | C24 | N3 | 117.7° | 118.1° |
| C25 | C24 | O4 | 121.0° | 121.0° |
| C24 | C25 | H24 | 107.4° | 108.7° |
| C9 | C10 | O2 | 121.5° | 120.0° |
| C9 | C10 | N1 | 112.4° | 120.0° |
| O2 | C10 | N1 | 126.0° | 119.9° |
| N2 | N3 | C24 | 124.6° | 119.7° |
| N2 | N3 | C17 | 114.0° | 120.1° |
| C10 | N1 | C11 | 120.6° | 120.1° |
| C10 | N1 | H33 | 119.7° | 119.9° |
| N3 | C24 | O4 | 121.3° | 121.0° |
| C24 | N3 | C17 | 121.3° | 120.1° |
| N3 | C17 | C23 | 110.7° | 109.8° |
| N3 | C17 | C18 | 110.8° | 109.7° |
| N3 | C17 | H11 | 107.5° | 109.6° |
| N1 | C11 | C12 | 114.7° | 109.5° |
| N1 | C11 | H6 | 108.1° | 109.5° |
| N1 | C11 | H7 | 108.2° | 109.4° |
| C11 | N1 | H33 | 119.7° | 120.0° |
| C17 | C23 | C22 | 115.7° | 112.5° |
| C23 | C17 | C18 | 113.6° | 108.5° |
| C23 | C17 | H11 | 107.1° | 109.6° |
| C17 | C23 | H22 | 107.9° | 108.8° |
| C17 | C23 | H23 | 107.9° | 108.9° |
| C23 | C22 | C21 | 117.7° | 112.8° |
| C23 | C22 | H20 | 107.3° | 108.8° |
| C23 | C22 | H21 | 107.4° | 108.7° |
| C22 | C23 | H22 | 107.9° | 108.9° |
| C22 | C23 | H23 | 107.9° | 108.9° |
| C17 | C18 | C19 | 115.4° | 112.5° |
| C18 | C17 | H11 | 106.8° | 109.6° |
| C17 | C18 | H12 | 108.0° | 108.9° |
| C17 | C18 | H13 | 108.0° | 108.9° |
| C11 | C12 | C13 | 131.1° | 125.9° |
| C11 | C12 | O3 | 117.7° | 125.8° |
| C12 | C11 | H6 | 108.2° | 109.5° |
| C12 | C11 | H7 | 108.2° | 109.5° |
| C22 | C21 | C20 | 116.7° | 112.5° |
| C22 | C21 | H18 | 107.6° | 108.8° |
| C22 | C21 | H19 | 107.6° | 108.8° |
| C21 | C22 | H20 | 107.4° | 108.9° |
| C21 | C22 | H21 | 107.4° | 108.8° |
| C18 | C19 | C20 | 114.3° | 112.4° |
| C19 | C18 | H12 | 108.0° | 108.9° |
| C19 | C18 | H13 | 108.0° | 108.9° |
| C18 | C19 | H14 | 108.3° | 108.9° |
| C18 | C19 | H15 | 108.2° | 108.9° |
| C13 | C12 | O3 | 111.2° | 108.4° |
| C12 | C13 | C14 | 106.6° | 106.9° |
| C12 | C13 | H8 | 126.7° | 126.5° |
| C12 | O3 | C15 | 106.1° | 109.5° |
| C13 | C14 | C15 | 106.6° | 106.9° |
| C14 | C13 | H8 | 126.7° | 126.6° |
| C13 | C14 | H9 | 126.7° | 126.5° |
| O3 | C15 | C14 | 109.5° | 108.4° |
| O3 | C15 | H10 | 125.3° | 125.8° |
| C21 | C20 | C19 | 115.0° | 108.5° |
| C21 | C20 | H16 | 108.1° | 109.7° |
| C21 | C20 | H17 | 108.0° | 109.8° |
| C20 | C21 | H18 | 107.6° | 108.9° |
| C20 | C21 | H19 | 107.7° | 108.9° |
| C20 | C19 | H14 | 108.2° | 108.9° |
| C20 | C19 | H15 | 108.2° | 108.8° |
| C19 | C20 | H16 | 108.0° | 109.6° |
| C19 | C20 | H17 | 108.1° | 109.6° |
| C15 | C14 | H9 | 126.7° | 126.6° |
| C14 | C15 | H10 | 125.2° | 125.8° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.4° |
| H12 | C18 | H13 | 109.5° | 108.7° |
| H14 | C19 | H15 | 109.5° | 108.9° |
| H16 | C20 | H17 | 109.5° | 109.6° |
| H18 | C21 | H19 | 109.5° | 108.8° |
| H20 | C22 | H21 | 109.5° | 108.8° |
| H22 | C23 | H23 | 109.5° | 108.8° |
| H25 | C26 | H26 | 109.5° | 109.1° |
| H29 | C29 | H30 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 2.8° | 0.0° |
| C1 | O1 | C2 | C7 | 175.5° | 180.0° |
| O1 | C1 | H1 | H2 | 120.0° | 119.9° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C4 | C3 | C2 | H4 | 180.0° | 179.8° |
| C4 | C3 | C2 | O1 | 176.6° | 179.9° |
| C3 | C4 | C5 | H32 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 1.7° | 0.1° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C5 | C16 | 176.2° | 180.0° |
| C3 | C2 | O1 | C7 | 178.4° | 180.0° |
| C2 | C3 | C4 | C5 | 2.0° | 0.0° |
| C3 | C2 | C7 | C6 | 0.0° | 0.0° |
| C3 | C2 | C7 | C8 | 178.3° | 180.0° |
| C2 | C3 | C4 | H32 | 178.0° | 180.0° |
| O1 | C2 | C7 | C6 | 178.4° | 180.0° |
| O1 | C2 | C7 | C8 | 0.1° | 0.0° |
| C2 | O1 | C1 | H1 | 180.0° | 180.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.1° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| O1 | C2 | C3 | H4 | 3.4° | 0.3° |
| C4 | C5 | C6 | C16 | 176.9° | 179.9° |
| C4 | C5 | C16 | C30 | 19.0° | 0.0° |
| C4 | C5 | C6 | C7 | 1.2° | 0.0° |
| C4 | C5 | C16 | N2 | 156.5° | 180.0° |
| C5 | C4 | C3 | H4 | 178.0° | 179.8° |
| C4 | C5 | C6 | H5 | 178.8° | 180.0° |
| C2 | C7 | C6 | C5 | 1.4° | 0.0° |
| C2 | C7 | C6 | C8 | 178.3° | 180.0° |
| C2 | C7 | C8 | C9 | 96.2° | 66.8° |
| C7 | C2 | C3 | H4 | 178.2° | 179.7° |
| C2 | C7 | C6 | H5 | 178.6° | 180.0° |
| C29 | C28 | C27 | H28 | 180.0° | 179.6° |
| C28 | C29 | C30 | H29 | 120.7° | 120.9° |
| C28 | C29 | C30 | H30 | 120.6° | 120.4° |
| C29 | C28 | C27 | C26 | 5.1° | 1.2° |
| C28 | C29 | C30 | C16 | 162.2° | 163.0° |
| C28 | C29 | C30 | C25 | 39.2° | 47.8° |
| C29 | C28 | C27 | H27 | 174.9° | 178.8° |
| C28 | C29 | H29 | H30 | 118.0° | 119.2° |
| C28 | C29 | C30 | H31 | 79.5° | 75.5° |
| C27 | C28 | C29 | C30 | 11.6° | 18.3° |
| C28 | C27 | C26 | H27 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 7.3° | 15.1° |
| C28 | C27 | C26 | H25 | 113.5° | 135.6° |
| C28 | C27 | C26 | H26 | 128.0° | 105.4° |
| C27 | C28 | C29 | H29 | 109.0° | 102.6° |
| C27 | C28 | C29 | H30 | 132.2° | 138.3° |
| C29 | C30 | C16 | C5 | 87.0° | 103.0° |
| C29 | C30 | C16 | C25 | 124.8° | 116.4° |
| C29 | C30 | C16 | H31 | 118.1° | 121.4° |
| C29 | C30 | C25 | H31 | 118.7° | 122.8° |
| C29 | C30 | C25 | C26 | 50.9° | 62.4° |
| C29 | C30 | C16 | N2 | 88.1° | 77.0° |
| C29 | C30 | C25 | C24 | 76.5° | 60.6° |
| C29 | C30 | C25 | H24 | 168.1° | 178.7° |
| C30 | C29 | C28 | H28 | 168.4° | 162.1° |
| C30 | C29 | H29 | H30 | 118.0° | 118.2° |
| C27 | C26 | C25 | C30 | 35.0° | 45.2° |
| C27 | C26 | C25 | H25 | 120.7° | 120.5° |
| C27 | C26 | C25 | H26 | 120.7° | 120.4° |
| C27 | C26 | C25 | C24 | 88.8° | 75.7° |
| C27 | C26 | C25 | H24 | 152.1° | 164.1° |
| C27 | C26 | H25 | H26 | 117.7° | 119.0° |
| C26 | C27 | C28 | H28 | 175.0° | 179.2° |
| C6 | C5 | C16 | C30 | 164.2° | 180.0° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 176.9° | 180.0° |
| C6 | C5 | C16 | N2 | 20.3° | 0.0° |
| C6 | C5 | C4 | H32 | 179.5° | 180.0° |
| C5 | C16 | C30 | N2 | 175.2° | 180.0° |
| C5 | C16 | C30 | C25 | 148.2° | 140.6° |
| C16 | C5 | C6 | C7 | 178.1° | 180.0° |
| C5 | C16 | N2 | N3 | 179.4° | 179.4° |
| C16 | C5 | C6 | H5 | 1.9° | 0.1° |
| C5 | C16 | C30 | H31 | 31.1° | 18.5° |
| C16 | C5 | C4 | H32 | 3.8° | 0.0° |
| C16 | C30 | C25 | H31 | 117.3° | 121.7° |
| C16 | C30 | C25 | C26 | 174.9° | 177.8° |
| C16 | C30 | C25 | C24 | 47.4° | 54.8° |
| C30 | C16 | N2 | N3 | 5.3° | 0.6° |
| C16 | C30 | C25 | H24 | 67.9° | 63.2° |
| C16 | C30 | C29 | H29 | 41.5° | 42.1° |
| C16 | C30 | C29 | H30 | 77.2° | 76.5° |
| C30 | C25 | C26 | C24 | 123.8° | 120.9° |
| C30 | C25 | C26 | H24 | 117.1° | 118.9° |
| C25 | C30 | C16 | N2 | 36.6° | 39.4° |
| C30 | C25 | C24 | H24 | 115.1° | 118.1° |
| C30 | C25 | C24 | N3 | 35.1° | 36.3° |
| C30 | C25 | C24 | O4 | 145.7° | 143.7° |
| C30 | C25 | C26 | H25 | 85.8° | 165.7° |
| C30 | C25 | C26 | H26 | 155.7° | 75.2° |
| C25 | C30 | C29 | H29 | 81.4° | 73.1° |
| C25 | C30 | C29 | H30 | 159.9° | 168.2° |
| C6 | C7 | C8 | C9 | 82.1° | 113.3° |
| C7 | C8 | C9 | C10 | 28.5° | 178.2° |
| C8 | C7 | C6 | H5 | 3.1° | 0.0° |
| C26 | C25 | C24 | H24 | 118.9° | 120.2° |
| C26 | C25 | C24 | N3 | 161.1° | 158.0° |
| C26 | C25 | C24 | O4 | 19.7° | 21.9° |
| C25 | C26 | H25 | H26 | 117.7° | 119.1° |
| C25 | C26 | C27 | H27 | 172.7° | 164.9° |
| C26 | C25 | C30 | H31 | 67.8° | 60.5° |
| C16 | N2 | N3 | C24 | 12.8° | 25.1° |
| C16 | N2 | N3 | C17 | 169.5° | 155.1° |
| N2 | C16 | C30 | H31 | 153.8° | 161.5° |
| C8 | C9 | C10 | O2 | 72.6° | 68.6° |
| C8 | C9 | C10 | N1 | 110.4° | 111.4° |
| C25 | C24 | N3 | N2 | 4.5° | 3.9° |
| C25 | C24 | N3 | O4 | 179.2° | 180.0° |
| C25 | C24 | N3 | C17 | 173.0° | 176.2° |
| C24 | C25 | C26 | H25 | 150.4° | 44.8° |
| C24 | C25 | C26 | H26 | 31.9° | 163.8° |
| C24 | C25 | C30 | H31 | 164.8° | 176.5° |
| C9 | C10 | O2 | N1 | 176.5° | 180.0° |
| C9 | C10 | N1 | C11 | 106.1° | 180.0° |
| C9 | C10 | N1 | H33 | 73.9° | 0.1° |
| O2 | C10 | N1 | C11 | 77.1° | 0.0° |
| O2 | C10 | N1 | H33 | 102.9° | 180.0° |
| N2 | N3 | C24 | C17 | 177.5° | 179.9° |
| N2 | N3 | C24 | O4 | 176.3° | 176.1° |
| N2 | N3 | C17 | C23 | 57.4° | 59.2° |
| N2 | N3 | C17 | C18 | 69.5° | 60.0° |
| N2 | N3 | C17 | H11 | 174.1° | 179.6° |
| C10 | N1 | C11 | H33 | 180.0° | 180.0° |
| C10 | N1 | C11 | C12 | 117.2° | 180.0° |
| C10 | N1 | C11 | H6 | 3.6° | 59.9° |
| C10 | N1 | C11 | H7 | 122.0° | 60.0° |
| C24 | N3 | C17 | C23 | 124.8° | 120.9° |
| C24 | N3 | C17 | C18 | 108.2° | 119.9° |
| C24 | N3 | C17 | H11 | 8.1° | 0.5° |
| N3 | C24 | C25 | H24 | 80.0° | 81.7° |
| O4 | C24 | N3 | C17 | 6.2° | 3.7° |
| O4 | C24 | C25 | H24 | 99.2° | 98.3° |
| N3 | C17 | C23 | C18 | 125.4° | 119.9° |
| N3 | C17 | C23 | H11 | 117.0° | 120.5° |
| N3 | C17 | C23 | C22 | 149.2° | 146.0° |
| N3 | C17 | C18 | H11 | 116.8° | 120.4° |
| N3 | C17 | C18 | C19 | 166.4° | 160.1° |
| N3 | C17 | C18 | H12 | 72.7° | 79.1° |
| N3 | C17 | C18 | H13 | 45.6° | 39.3° |
| N3 | C17 | C23 | H22 | 28.3° | 25.2° |
| N3 | C17 | C23 | H23 | 89.9° | 93.2° |
| N1 | C11 | C12 | H6 | 120.8° | 120.1° |
| N1 | C11 | C12 | H7 | 120.8° | 120.0° |
| N1 | C11 | C12 | C13 | 160.3° | 90.0° |
| N1 | C11 | C12 | O3 | 22.2° | 90.3° |
| N1 | C11 | H6 | H7 | 117.6° | 119.9° |
| C17 | C23 | C22 | H22 | 120.9° | 120.7° |
| C17 | C23 | C22 | H23 | 120.9° | 120.8° |
| C23 | C17 | C18 | H11 | 117.9° | 119.6° |
| C17 | C23 | C22 | C21 | 49.0° | 41.7° |
| C23 | C17 | C18 | C19 | 68.2° | 79.9° |
| C23 | C17 | C18 | H12 | 52.6° | 40.8° |
| C23 | C17 | C18 | H13 | 170.9° | 159.2° |
| C17 | C23 | C22 | H20 | 72.2° | 162.6° |
| C17 | C23 | C22 | H21 | 170.2° | 79.1° |
| C17 | C23 | H22 | H23 | 117.2° | 118.5° |
| C22 | C23 | C17 | C18 | 85.4° | 94.1° |
| C23 | C22 | C21 | H20 | 121.2° | 120.8° |
| C23 | C22 | C21 | H21 | 121.2° | 120.7° |
| C23 | C22 | C21 | C20 | 24.1° | 41.8° |
| C22 | C23 | C17 | H11 | 32.3° | 25.5° |
| C23 | C22 | C21 | H18 | 96.9° | 162.5° |
| C23 | C22 | C21 | H19 | 145.2° | 79.0° |
| C23 | C22 | H20 | H21 | 116.2° | 118.3° |
| C22 | C23 | H22 | H23 | 117.1° | 118.5° |
| C17 | C18 | C19 | H12 | 120.9° | 120.8° |
| C17 | C18 | C19 | H13 | 120.9° | 120.8° |
| C17 | C18 | C19 | C20 | 57.4° | 61.9° |
| C17 | C18 | H12 | H13 | 117.3° | 118.5° |
| C17 | C18 | C19 | H14 | 178.1° | 177.3° |
| C17 | C18 | C19 | H15 | 63.3° | 58.8° |
| C18 | C17 | C23 | H22 | 153.7° | 145.1° |
| C18 | C17 | C23 | H23 | 35.5° | 26.7° |
| C11 | C12 | C13 | O3 | 177.6° | 179.7° |
| C11 | C12 | C13 | C14 | 178.7° | 180.0° |
| C11 | C12 | O3 | C15 | 178.9° | 179.8° |
| C12 | C11 | H6 | H7 | 117.6° | 120.0° |
| C11 | C12 | C13 | H8 | 1.3° | 0.0° |
| C12 | C11 | N1 | H33 | 62.8° | 0.1° |
| C22 | C21 | C20 | H18 | 121.0° | 120.7° |
| C22 | C21 | C20 | H19 | 121.0° | 120.8° |
| C22 | C21 | C20 | C19 | 80.6° | 94.2° |
| C22 | C21 | C20 | H16 | 158.6° | 25.5° |
| C22 | C21 | C20 | H17 | 40.3° | 146.0° |
| C22 | C21 | H18 | H19 | 116.7° | 118.5° |
| C21 | C22 | H20 | H21 | 116.3° | 118.5° |
| C21 | C22 | C23 | H22 | 169.9° | 162.5° |
| C21 | C22 | C23 | H23 | 71.9° | 79.1° |
| C18 | C19 | C20 | C21 | 77.5° | 79.9° |
| C18 | C19 | C20 | H14 | 120.7° | 120.8° |
| C18 | C19 | C20 | H15 | 120.7° | 120.7° |
| C19 | C18 | C17 | H11 | 49.6° | 39.7° |
| C19 | C18 | H12 | H13 | 117.3° | 118.5° |
| C18 | C19 | H14 | H15 | 117.8° | 118.6° |
| C18 | C19 | C20 | H16 | 161.6° | 39.8° |
| C18 | C19 | C20 | H17 | 43.3° | 160.1° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C13 | C12 | O3 | C15 | 1.0° | 0.4° |
| C12 | C13 | C14 | C15 | 0.7° | 0.0° |
| C13 | C12 | C11 | H6 | 39.6° | 150.0° |
| C13 | C12 | C11 | H7 | 78.9° | 30.0° |
| C12 | C13 | C14 | H9 | 179.3° | 179.9° |
| O3 | C12 | C13 | C14 | 1.1° | 0.3° |
| C12 | O3 | C15 | C14 | 0.5° | 0.4° |
| O3 | C12 | C11 | H6 | 143.0° | 29.7° |
| O3 | C12 | C11 | H7 | 98.6° | 149.7° |
| O3 | C12 | C13 | H8 | 178.9° | 179.7° |
| C12 | O3 | C15 | H10 | 179.5° | 179.8° |
| C13 | C14 | C15 | O3 | 0.1° | 0.3° |
| C13 | C14 | C15 | H9 | 180.0° | 179.9° |
| C13 | C14 | C15 | H10 | 179.9° | 179.9° |
| O3 | C15 | C14 | H10 | 180.0° | 179.8° |
| O3 | C15 | C14 | H9 | 179.9° | 179.8° |
| C21 | C20 | C19 | H16 | 120.8° | 119.8° |
| C21 | C20 | C19 | H17 | 120.8° | 119.9° |
| C21 | C20 | C19 | H14 | 161.7° | 159.3° |
| C21 | C20 | C19 | H15 | 43.2° | 40.7° |
| C21 | C20 | H16 | H17 | 117.4° | 120.6° |
| C20 | C21 | H18 | H19 | 116.8° | 118.6° |
| C20 | C21 | C22 | H20 | 145.3° | 79.1° |
| C20 | C21 | C22 | H21 | 97.1° | 162.5° |
| C20 | C19 | C18 | H12 | 63.5° | 58.9° |
| C20 | C19 | C18 | H13 | 178.2° | 177.3° |
| C20 | C19 | H14 | H15 | 117.8° | 118.5° |
| C19 | C20 | H16 | H17 | 117.5° | 120.3° |
| C19 | C20 | C21 | H18 | 40.5° | 145.1° |
| C19 | C20 | C21 | H19 | 158.4° | 26.6° |
| C15 | C14 | C13 | H8 | 179.3° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H4 | C3 | C4 | H32 | 2.0° | 0.2° |
| H6 | C11 | N1 | H33 | 176.4° | 120.0° |
| H7 | C11 | N1 | H33 | 58.0° | 120.1° |
| H8 | C13 | C14 | H9 | 0.7° | 0.1° |
| H9 | C14 | C15 | H10 | 0.1° | 0.0° |
| H11 | C17 | C18 | H12 | 170.5° | 160.5° |
| H11 | C17 | C18 | H13 | 71.3° | 81.1° |
| H11 | C17 | C23 | H22 | 88.7° | 95.3° |
| H11 | C17 | C23 | H23 | 153.1° | 146.3° |
| H12 | C18 | C19 | H14 | 57.2° | 61.9° |
| H12 | C18 | C19 | H15 | 175.8° | 179.5° |
| H13 | C18 | C19 | H14 | 61.0° | 56.5° |
| H13 | C18 | C19 | H15 | 57.5° | 62.0° |
| H14 | C19 | C20 | H16 | 40.9° | 80.9° |
| H14 | C19 | C20 | H17 | 77.5° | 39.3° |
| H15 | C19 | C20 | H16 | 77.7° | 160.5° |
| H15 | C19 | C20 | H17 | 164.0° | 79.2° |
| H16 | C20 | C21 | H18 | 80.3° | 95.2° |
| H16 | C20 | C21 | H19 | 37.6° | 146.3° |
| H17 | C20 | C21 | H18 | 161.3° | 25.2° |
| H17 | C20 | C21 | H19 | 80.8° | 93.3° |
| H18 | C21 | C22 | H20 | 24.3° | 41.7° |
| H18 | C21 | C22 | H21 | 141.9° | 76.8° |
| H19 | C21 | C22 | H20 | 93.6° | 160.1° |
| H19 | C21 | C22 | H21 | 24.0° | 41.7° |
| H20 | C22 | C23 | H22 | 48.7° | 76.7° |
| H20 | C22 | C23 | H23 | 166.9° | 41.8° |
| H21 | C22 | C23 | H22 | 68.9° | 41.7° |
| H21 | C22 | C23 | H23 | 49.3° | 160.1° |
| H24 | C25 | C26 | H25 | 31.4° | 75.4° |
| H24 | C25 | C26 | H26 | 87.2° | 43.7° |
| H24 | C25 | C30 | H31 | 49.4° | 58.5° |
| H25 | C26 | C27 | H27 | 66.5° | 44.4° |
| H26 | C26 | C27 | H27 | 52.0° | 74.6° |
| H27 | C27 | C28 | H28 | 5.0° | 0.8° |
| H28 | C28 | C29 | H29 | 71.0° | 77.0° |
| H28 | C28 | C29 | H30 | 47.7° | 42.1° |
| H29 | C29 | C30 | H31 | 159.8° | 163.6° |
| H30 | C29 | C30 | H31 | 41.1° | 44.9° |
