JEK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.53Å | 1.46Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.42Å | |
| C26 | N21 | sing | 1.47Å | 1.43Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| N21 | C20 | sing | 1.47Å | 1.20Å | |
| N21 | C22 | sing | 1.47Å | 1.47Å | |
| C20 | C19 | sing | 1.51Å | 1.58Å | |
| C18 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C27 | sing | 1.38Å | 1.36Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.43Å | Aromatic |
| C16 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C13 | C12 | doub | 1.34Å | 1.41Å | Aromatic |
| C13 | N14 | sing | 1.37Å | 1.34Å | Aromatic |
| C12 | C09 | sing | 1.46Å | 1.47Å | Aromatic |
| N14 | C15 | sing | 1.46Å | 1.48Å | |
| N14 | C08 | sing | 1.38Å | 1.41Å | Aromatic |
| C09 | C08 | doub | 1.41Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.41Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.54Å | |
| C05 | N04 | doub | 1.31Å | 1.34Å | Aromatic |
| C05 | C29 | sing | 1.47Å | 1.38Å | Aromatic |
| N04 | N03 | sing | 1.40Å | 1.35Å | Aromatic |
| C29 | C30 | sing | 1.43Å | 1.57Å | |
| C29 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | N31 | trip | 1.14Å | 1.16Å | |
| N03 | C02 | sing | 1.35Å | 1.37Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.37Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| N01 | H15 | sing | 0.97Å | 1.00Å | |
| N01 | H16 | sing | 0.97Å | 1.00Å | |
| N03 | H17 | sing | 0.97Å | 1.00Å | |
| C07 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | C26 | 111.6° | 109.3° |
| C25 | C24 | C23 | 109.8° | 109.2° |
| C25 | C24 | H10 | 109.4° | 109.5° |
| C25 | C24 | H11 | 109.4° | 109.6° |
| C24 | C25 | H25 | 108.9° | 109.5° |
| C24 | C25 | H26 | 108.9° | 109.5° |
| C25 | C26 | N21 | 115.7° | 109.5° |
| C25 | C26 | H12 | 107.9° | 109.5° |
| C25 | C26 | H13 | 107.9° | 109.4° |
| C26 | C25 | H25 | 108.9° | 109.5° |
| C26 | C25 | H26 | 108.9° | 109.5° |
| C24 | C23 | C22 | 112.4° | 109.3° |
| C23 | C24 | H10 | 109.4° | 109.5° |
| C23 | C24 | H11 | 109.4° | 109.6° |
| C24 | C23 | H23 | 108.7° | 109.5° |
| C24 | C23 | H24 | 108.8° | 109.5° |
| C26 | N21 | C20 | 114.6° | 111.0° |
| C26 | N21 | C22 | 119.6° | 111.2° |
| N21 | C26 | H12 | 107.9° | 109.5° |
| N21 | C26 | H13 | 107.9° | 109.5° |
| C23 | C22 | N21 | 116.3° | 109.5° |
| C23 | C22 | H8 | 107.7° | 109.4° |
| C23 | C22 | H9 | 107.7° | 109.5° |
| C22 | C23 | H23 | 108.8° | 109.5° |
| C22 | C23 | H24 | 108.7° | 109.5° |
| C20 | N21 | C22 | 116.1° | 111.0° |
| N21 | C20 | C19 | 108.4° | 109.5° |
| N21 | C20 | H6 | 109.7° | 109.5° |
| N21 | C20 | H7 | 109.7° | 109.5° |
| N21 | C22 | H8 | 107.7° | 109.5° |
| N21 | C22 | H9 | 107.7° | 109.5° |
| C20 | C19 | C18 | 121.1° | 120.0° |
| C20 | C19 | C27 | 119.2° | 120.0° |
| C19 | C20 | H6 | 109.7° | 109.4° |
| C19 | C20 | H7 | 109.7° | 109.5° |
| C19 | C18 | C17 | 120.4° | 120.0° |
| C18 | C19 | C27 | 119.6° | 120.0° |
| C19 | C18 | H21 | 119.8° | 120.0° |
| C18 | C17 | C16 | 119.5° | 120.0° |
| C18 | C17 | H5 | 120.2° | 120.0° |
| C17 | C18 | H21 | 119.8° | 120.0° |
| C19 | C27 | C28 | 120.2° | 120.0° |
| C19 | C27 | H27 | 119.9° | 120.0° |
| C17 | C16 | C28 | 120.0° | 120.0° |
| C17 | C16 | C15 | 122.3° | 120.0° |
| C16 | C17 | H5 | 120.3° | 120.0° |
| C27 | C28 | C16 | 120.3° | 120.0° |
| C27 | C28 | H14 | 119.9° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| C28 | C16 | C15 | 117.7° | 120.0° |
| C16 | C28 | H14 | 119.8° | 120.0° |
| C16 | C15 | N14 | 113.8° | 109.5° |
| C16 | C15 | H3 | 108.4° | 109.4° |
| C16 | C15 | H4 | 108.4° | 109.4° |
| C12 | C13 | N14 | 107.6° | 109.9° |
| C13 | C12 | C09 | 107.7° | 107.0° |
| C12 | C13 | H2 | 126.2° | 125.1° |
| C13 | C12 | H20 | 126.1° | 126.5° |
| C13 | N14 | C15 | 125.6° | 125.1° |
| C13 | N14 | C08 | 110.6° | 109.9° |
| N14 | C13 | H2 | 126.2° | 125.0° |
| C12 | C09 | C08 | 105.2° | 106.0° |
| C12 | C09 | C10 | 135.0° | 133.8° |
| C09 | C12 | H20 | 126.2° | 126.5° |
| C15 | N14 | C08 | 123.7° | 125.1° |
| N14 | C15 | H3 | 108.4° | 109.5° |
| N14 | C15 | H4 | 108.3° | 109.5° |
| N14 | C08 | C09 | 108.8° | 107.1° |
| N14 | C08 | C07 | 130.6° | 133.4° |
| C08 | C09 | C10 | 119.8° | 120.2° |
| C09 | C08 | C07 | 120.6° | 119.4° |
| C09 | C10 | C11 | 119.9° | 119.9° |
| C09 | C10 | H1 | 120.1° | 120.1° |
| C08 | C07 | C06 | 119.4° | 119.7° |
| C08 | C07 | H18 | 120.3° | 120.1° |
| C10 | C11 | C06 | 119.9° | 120.5° |
| C11 | C10 | H1 | 120.0° | 120.0° |
| C10 | C11 | H19 | 120.0° | 119.8° |
| C07 | C06 | C11 | 120.3° | 120.3° |
| C07 | C06 | C05 | 116.8° | 119.8° |
| C06 | C07 | H18 | 120.3° | 120.1° |
| C11 | C06 | C05 | 122.5° | 119.9° |
| C06 | C11 | H19 | 120.0° | 119.8° |
| C06 | C05 | N04 | 122.2° | 126.5° |
| C06 | C05 | C29 | 130.4° | 126.4° |
| N04 | C05 | C29 | 106.9° | 107.1° |
| C05 | N04 | N03 | 110.9° | 109.4° |
| C05 | C29 | C30 | 129.7° | 126.9° |
| C05 | C29 | C02 | 107.3° | 106.2° |
| N04 | N03 | C02 | 107.5° | 109.7° |
| N04 | N03 | H17 | 126.2° | 125.1° |
| C30 | C29 | C02 | 122.9° | 126.9° |
| C29 | C30 | N31 | 177.3° | 179.9° |
| C29 | C02 | N03 | 107.3° | 107.6° |
| C29 | C02 | N01 | 126.2° | 126.2° |
| N03 | C02 | N01 | 126.5° | 126.2° |
| C02 | N03 | H17 | 126.3° | 125.2° |
| C02 | N01 | H15 | 109.5° | 120.0° |
| C02 | N01 | H16 | 109.5° | 120.0° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.4° | 109.4° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.5° | 109.5° |
| H15 | N01 | H16 | 109.5° | 120.0° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | C26 | H25 | 120.3° | 119.9° |
| C24 | C25 | C26 | H26 | 120.3° | 119.9° |
| C25 | C24 | C23 | H10 | 120.0° | 119.9° |
| C25 | C24 | C23 | H11 | 120.1° | 120.0° |
| C24 | C25 | C26 | N21 | 42.3° | 59.1° |
| C25 | C24 | C23 | C22 | 59.6° | 57.6° |
| C25 | C24 | H10 | H11 | 119.9° | 120.2° |
| C24 | C25 | C26 | H12 | 163.2° | 179.2° |
| C24 | C25 | C26 | H13 | 78.6° | 60.9° |
| C25 | C24 | C23 | H23 | 180.0° | 177.6° |
| C25 | C24 | C23 | H24 | 60.8° | 62.3° |
| C24 | C25 | H25 | H26 | 119.0° | 120.1° |
| C26 | C25 | C24 | C23 | 62.4° | 57.6° |
| C25 | C26 | N21 | H12 | 120.9° | 120.0° |
| C25 | C26 | N21 | H13 | 120.9° | 120.0° |
| C25 | C26 | N21 | C20 | 124.0° | 174.2° |
| C25 | C26 | N21 | C22 | 20.6° | 61.8° |
| C26 | C25 | C24 | H10 | 57.7° | 62.3° |
| C26 | C25 | C24 | H11 | 177.6° | 177.6° |
| C25 | C26 | H12 | H13 | 117.2° | 119.9° |
| C26 | C25 | H25 | H26 | 119.0° | 120.1° |
| C24 | C23 | C22 | H23 | 120.4° | 120.0° |
| C24 | C23 | C22 | H24 | 120.4° | 120.0° |
| C24 | C23 | C22 | N21 | 37.3° | 59.2° |
| C24 | C23 | C22 | H8 | 83.6° | 60.8° |
| C24 | C23 | C22 | H9 | 158.3° | 179.2° |
| C23 | C24 | H10 | H11 | 119.8° | 120.1° |
| C24 | C23 | H23 | H24 | 118.7° | 120.1° |
| C23 | C24 | C25 | H25 | 58.0° | 177.5° |
| C23 | C24 | C25 | H26 | 177.3° | 62.3° |
| C26 | N21 | C22 | C23 | 18.0° | 61.7° |
| C26 | N21 | C20 | C22 | 145.9° | 124.2° |
| C26 | N21 | C20 | C19 | 123.3° | 170.0° |
| C26 | N21 | C20 | H6 | 116.8° | 50.0° |
| C26 | N21 | C20 | H7 | 3.5° | 70.0° |
| C26 | N21 | C22 | H8 | 103.0° | 58.2° |
| C26 | N21 | C22 | H9 | 138.9° | 178.3° |
| N21 | C26 | H12 | H13 | 117.2° | 120.0° |
| N21 | C26 | C25 | H25 | 78.1° | 179.1° |
| N21 | C26 | C25 | H26 | 162.6° | 60.8° |
| C23 | C22 | N21 | C20 | 126.2° | 174.2° |
| C23 | C22 | N21 | H8 | 121.0° | 120.0° |
| C23 | C22 | N21 | H9 | 121.0° | 120.0° |
| C23 | C22 | H8 | H9 | 116.9° | 120.0° |
| C22 | C23 | C24 | H10 | 60.5° | 62.3° |
| C22 | C23 | C24 | H11 | 179.6° | 177.6° |
| C22 | C23 | H23 | H24 | 118.7° | 120.1° |
| N21 | C20 | C19 | H6 | 119.9° | 120.0° |
| N21 | C20 | C19 | H7 | 119.8° | 120.1° |
| N21 | C20 | C19 | C18 | 90.0° | 90.0° |
| N21 | C20 | C19 | C27 | 89.1° | 90.0° |
| N21 | C20 | H6 | H7 | 120.5° | 120.0° |
| C20 | N21 | C22 | H8 | 112.8° | 65.8° |
| C20 | N21 | C22 | H9 | 5.2° | 54.2° |
| C20 | N21 | C26 | H12 | 3.1° | 54.1° |
| C20 | N21 | C26 | H13 | 115.1° | 65.8° |
| C22 | N21 | C20 | C19 | 90.7° | 65.8° |
| C22 | N21 | C20 | H6 | 29.1° | 174.2° |
| C22 | N21 | C20 | H7 | 149.4° | 54.2° |
| N21 | C22 | H8 | H9 | 116.9° | 120.0° |
| C22 | N21 | C26 | H12 | 141.6° | 178.2° |
| C22 | N21 | C26 | H13 | 100.3° | 58.2° |
| N21 | C22 | C23 | H23 | 157.8° | 179.1° |
| N21 | C22 | C23 | H24 | 83.1° | 60.8° |
| C20 | C19 | C18 | C27 | 179.1° | 180.0° |
| C20 | C19 | C18 | C17 | 179.9° | 180.0° |
| C20 | C19 | C27 | C28 | 179.9° | 179.7° |
| C19 | C20 | H6 | H7 | 120.5° | 119.9° |
| C20 | C19 | C18 | H21 | 0.1° | 0.0° |
| C20 | C19 | C27 | H27 | 0.1° | 0.0° |
| C19 | C18 | C17 | H21 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.8° | 0.0° |
| C18 | C19 | C27 | C28 | 0.7° | 0.3° |
| C19 | C18 | C17 | H5 | 179.2° | 179.7° |
| C18 | C19 | C20 | H6 | 150.1° | 149.9° |
| C18 | C19 | C20 | H7 | 29.8° | 30.0° |
| C18 | C19 | C27 | H27 | 179.3° | 179.9° |
| C17 | C18 | C19 | C27 | 1.0° | 0.0° |
| C18 | C17 | C16 | H5 | 180.0° | 179.8° |
| C18 | C17 | C16 | C28 | 0.4° | 0.2° |
| C18 | C17 | C16 | C15 | 178.5° | 179.7° |
| C19 | C27 | C28 | H27 | 180.0° | 179.8° |
| C19 | C27 | C28 | C16 | 0.3° | 0.5° |
| C27 | C19 | C20 | H6 | 30.8° | 30.0° |
| C27 | C19 | C20 | H7 | 151.0° | 149.9° |
| C19 | C27 | C28 | H14 | 179.7° | 179.9° |
| C27 | C19 | C18 | H21 | 179.0° | 180.0° |
| C17 | C16 | C28 | C27 | 0.1° | 0.5° |
| C17 | C16 | C28 | C15 | 179.0° | 179.9° |
| C17 | C16 | C15 | N14 | 33.7° | 89.9° |
| C17 | C16 | C15 | H3 | 86.9° | 30.0° |
| C17 | C16 | C15 | H4 | 154.3° | 150.0° |
| C17 | C16 | C28 | H14 | 179.9° | 180.0° |
| C16 | C17 | C18 | H21 | 179.2° | 179.9° |
| C27 | C28 | C16 | H14 | 180.0° | 179.6° |
| C27 | C28 | C16 | C15 | 178.8° | 179.5° |
| C28 | C16 | C15 | N14 | 147.4° | 90.0° |
| C28 | C16 | C15 | H3 | 92.0° | 150.0° |
| C28 | C16 | C15 | H4 | 26.8° | 30.0° |
| C28 | C16 | C17 | H5 | 179.6° | 180.0° |
| C16 | C28 | C27 | H27 | 179.7° | 179.7° |
| C16 | C15 | N14 | C13 | 97.5° | 95.0° |
| C16 | C15 | N14 | H3 | 120.6° | 120.0° |
| C16 | C15 | N14 | H4 | 120.6° | 120.0° |
| C16 | C15 | N14 | C08 | 85.4° | 85.0° |
| C16 | C15 | H3 | H4 | 118.1° | 120.0° |
| C15 | C16 | C17 | H5 | 1.5° | 0.0° |
| C15 | C16 | C28 | H14 | 1.1° | 0.1° |
| C12 | C13 | N14 | H2 | 180.0° | 180.0° |
| C13 | C12 | C09 | H20 | 180.0° | 180.0° |
| C12 | C13 | N14 | C15 | 178.6° | 180.0° |
| C12 | C13 | N14 | C08 | 1.1° | 0.0° |
| C13 | C12 | C09 | C08 | 0.2° | 0.0° |
| C13 | C12 | C09 | C10 | 179.8° | 180.0° |
| N14 | C13 | C12 | C09 | 0.6° | 0.0° |
| C13 | N14 | C15 | C08 | 177.1° | 180.0° |
| C13 | N14 | C08 | C09 | 1.3° | 0.0° |
| C13 | N14 | C08 | C07 | 179.9° | 179.3° |
| C13 | N14 | C15 | H3 | 23.2° | 24.9° |
| C13 | N14 | C15 | H4 | 141.9° | 145.0° |
| N14 | C13 | C12 | H20 | 179.4° | 180.0° |
| C12 | C09 | C08 | N14 | 0.8° | 0.0° |
| C12 | C09 | C08 | C10 | 179.7° | 180.0° |
| C12 | C09 | C08 | C07 | 179.8° | 179.4° |
| C12 | C09 | C10 | C11 | 180.0° | 180.0° |
| C12 | C09 | C10 | H1 | 0.1° | 0.3° |
| C09 | C12 | C13 | H2 | 179.4° | 180.0° |
| C15 | N14 | C08 | C09 | 178.8° | 180.0° |
| C15 | N14 | C08 | C07 | 2.4° | 0.7° |
| C15 | N14 | C13 | H2 | 1.4° | 0.0° |
| N14 | C15 | H3 | H4 | 118.0° | 120.0° |
| N14 | C08 | C09 | C07 | 179.0° | 179.4° |
| N14 | C08 | C09 | C10 | 179.5° | 180.0° |
| N14 | C08 | C07 | C06 | 179.5° | 180.0° |
| C08 | N14 | C13 | H2 | 178.8° | 180.0° |
| C08 | N14 | C15 | H3 | 153.9° | 155.0° |
| C08 | N14 | C15 | H4 | 35.2° | 35.0° |
| N14 | C08 | C07 | H18 | 0.5° | 0.5° |
| C08 | C09 | C10 | C11 | 0.3° | 0.0° |
| C09 | C08 | C07 | C06 | 1.8° | 0.8° |
| C08 | C09 | C10 | H1 | 179.7° | 179.7° |
| C09 | C08 | C07 | H18 | 178.2° | 179.8° |
| C08 | C09 | C12 | H20 | 179.9° | 180.0° |
| C10 | C09 | C08 | C07 | 0.5° | 0.5° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C06 | 1.6° | 0.3° |
| C09 | C10 | C11 | H19 | 178.5° | 179.7° |
| C10 | C09 | C12 | H20 | 0.2° | 0.1° |
| C08 | C07 | C06 | H18 | 180.0° | 179.4° |
| C08 | C07 | C06 | C11 | 3.0° | 0.5° |
| C08 | C07 | C06 | C05 | 176.5° | 179.5° |
| C10 | C11 | C06 | C07 | 2.9° | 0.1° |
| C10 | C11 | C06 | H19 | 180.0° | 179.9° |
| C10 | C11 | C06 | C05 | 176.0° | 180.0° |
| C07 | C06 | C11 | C05 | 173.0° | 180.0° |
| C07 | C06 | C05 | N04 | 0.5° | 35.1° |
| C07 | C06 | C05 | C29 | 170.4° | 145.3° |
| C07 | C06 | C11 | H19 | 177.1° | 180.0° |
| C11 | C06 | C05 | N04 | 173.8° | 144.9° |
| C11 | C06 | C05 | C29 | 2.8° | 34.7° |
| C06 | C11 | C10 | H1 | 178.5° | 180.0° |
| C11 | C06 | C07 | H18 | 177.0° | 179.9° |
| C06 | C05 | N04 | C29 | 172.8° | 179.7° |
| C06 | C05 | N04 | N03 | 175.4° | 180.0° |
| C06 | C05 | C29 | C30 | 7.8° | 0.2° |
| C06 | C05 | C29 | C02 | 174.5° | 179.9° |
| C05 | C06 | C07 | H18 | 3.6° | 0.0° |
| C05 | C06 | C11 | H19 | 4.1° | 0.0° |
| N04 | C05 | C29 | C30 | 179.8° | 179.9° |
| N04 | C05 | C29 | C02 | 2.5° | 0.4° |
| C05 | N04 | N03 | C02 | 1.6° | 0.0° |
| C05 | N04 | N03 | H17 | 178.4° | 179.9° |
| C29 | C05 | N04 | N03 | 2.6° | 0.3° |
| C05 | C29 | C30 | C02 | 177.4° | 179.6° |
| C05 | C29 | C30 | N31 | 177.6° | 93.9° |
| C05 | C29 | C02 | N03 | 1.6° | 0.4° |
| C05 | C29 | C02 | N01 | 177.7° | 179.9° |
| N04 | N03 | C02 | C29 | 0.0° | 0.3° |
| N04 | N03 | C02 | H17 | 180.0° | 180.0° |
| N04 | N03 | C02 | N01 | 179.2° | 180.0° |
| C30 | C29 | C02 | N03 | 179.5° | 179.9° |
| C30 | C29 | C02 | N01 | 0.2° | 0.2° |
| C02 | C29 | C30 | N31 | 4.9° | 85.7° |
| C29 | C02 | N03 | N01 | 179.2° | 179.7° |
| C29 | C02 | N01 | H15 | 180.0° | 179.7° |
| C29 | C02 | N01 | H16 | 60.0° | 0.2° |
| C29 | C02 | N03 | H17 | 180.0° | 179.8° |
| N03 | C02 | N01 | H15 | 0.9° | 0.0° |
| N03 | C02 | N01 | H16 | 120.9° | 179.9° |
| C02 | N01 | H15 | H16 | 120.0° | 179.9° |
| N01 | C02 | N03 | H17 | 0.8° | 0.0° |
| H1 | C10 | C11 | H19 | 1.5° | 0.0° |
| H2 | C13 | C12 | H20 | 0.7° | 0.1° |
| H5 | C17 | C18 | H21 | 0.8° | 0.3° |
| H8 | C22 | C23 | H23 | 36.8° | 59.1° |
| H8 | C22 | C23 | H24 | 155.9° | 179.2° |
| H9 | C22 | C23 | H23 | 81.3° | 60.8° |
| H9 | C22 | C23 | H24 | 37.9° | 59.2° |
| H10 | C24 | C23 | H23 | 60.0° | 57.7° |
| H10 | C24 | C23 | H24 | 179.1° | 177.8° |
| H10 | C24 | C25 | H25 | 178.0° | 57.6° |
| H10 | C24 | C25 | H26 | 62.6° | 177.8° |
| H11 | C24 | C23 | H23 | 59.9° | 62.4° |
| H11 | C24 | C23 | H24 | 59.2° | 57.7° |
| H11 | C24 | C25 | H25 | 62.1° | 62.5° |
| H11 | C24 | C25 | H26 | 57.3° | 57.7° |
| H12 | C26 | C25 | H25 | 42.9° | 60.9° |
| H12 | C26 | C25 | H26 | 76.5° | 59.3° |
| H13 | C26 | C25 | H25 | 161.0° | 59.1° |
| H13 | C26 | C25 | H26 | 41.7° | 179.2° |
| H14 | C28 | C27 | H27 | 0.3° | 0.2° |
