8IS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C02 | sing | 1.53Å | 1.63Å | |
| C12 | N13 | sing | 1.47Å | 1.44Å | |
| C02 | O01 | sing | 1.43Å | 1.46Å | |
| C02 | C03 | sing | 1.53Å | 1.62Å | |
| C07 | C08 | sing | 1.53Å | 1.57Å | |
| C07 | C06 | sing | 1.53Å | 1.56Å | |
| N13 | C14 | sing | 1.35Å | 1.36Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C03 | N04 | sing | 1.47Å | 1.54Å | |
| C05 | N04 | sing | 1.47Å | 1.51Å | |
| C05 | C06 | sing | 1.53Å | 1.58Å | |
| C06 | C11 | sing | 1.53Å | 1.56Å | |
| O15 | C14 | doub | 1.21Å | 1.26Å | |
| C14 | C16 | sing | 1.51Å | 1.50Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C16 | C23 | sing | 1.51Å | 1.55Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C28 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.43Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| N04 | H30 | sing | 1.01Å | 1.00Å | |
| N13 | H32 | sing | 0.97Å | 1.00Å | |
| O01 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C12 | N13 | 109.6° | 109.5° |
| C12 | C02 | O01 | 109.0° | 109.4° |
| C12 | C02 | C03 | 111.6° | 109.4° |
| C12 | C02 | H1 | 109.3° | 109.5° |
| C02 | C12 | H17 | 109.4° | 109.4° |
| C02 | C12 | H18 | 109.4° | 109.5° |
| C12 | N13 | C14 | 125.5° | 120.0° |
| N13 | C12 | H17 | 109.5° | 109.4° |
| N13 | C12 | H18 | 109.4° | 109.5° |
| C12 | N13 | H32 | 117.3° | 120.0° |
| O01 | C02 | C03 | 106.1° | 109.5° |
| O01 | C02 | H1 | 111.6° | 109.5° |
| C02 | O01 | H33 | 109.5° | 114.0° |
| C02 | C03 | N04 | 110.4° | 109.5° |
| C03 | C02 | H1 | 109.3° | 109.5° |
| C02 | C03 | H2 | 109.3° | 109.5° |
| C02 | C03 | H3 | 109.2° | 109.5° |
| C08 | C07 | C06 | 115.0° | 109.5° |
| C07 | C08 | C09 | 114.1° | 109.4° |
| C08 | C07 | H7 | 108.1° | 109.5° |
| C08 | C07 | H8 | 108.0° | 109.5° |
| C07 | C08 | H9 | 108.3° | 109.5° |
| C07 | C08 | H10 | 108.3° | 109.5° |
| C07 | C06 | C05 | 112.8° | 109.5° |
| C07 | C06 | C11 | 110.1° | 109.5° |
| C07 | C06 | H6 | 107.7° | 109.5° |
| C06 | C07 | H7 | 108.1° | 109.4° |
| C06 | C07 | H8 | 108.1° | 109.5° |
| N13 | C14 | O15 | 113.9° | 120.0° |
| N13 | C14 | C16 | 128.9° | 120.0° |
| C14 | N13 | H32 | 117.2° | 120.1° |
| C08 | C09 | C10 | 113.0° | 109.5° |
| C09 | C08 | H9 | 108.3° | 109.5° |
| C09 | C08 | H10 | 108.3° | 109.5° |
| C08 | C09 | H11 | 108.5° | 109.5° |
| C08 | C09 | H12 | 108.6° | 109.5° |
| C03 | N04 | C05 | 113.2° | 111.0° |
| N04 | C03 | H2 | 109.2° | 109.4° |
| N04 | C03 | H3 | 109.2° | 109.5° |
| C03 | N04 | H30 | 108.5° | 111.0° |
| N04 | C05 | C06 | 114.6° | 109.4° |
| N04 | C05 | H4 | 108.2° | 109.5° |
| N04 | C05 | H5 | 108.2° | 109.5° |
| C05 | N04 | H30 | 108.5° | 111.0° |
| C05 | C06 | C11 | 111.0° | 109.5° |
| C06 | C05 | H4 | 108.2° | 109.5° |
| C06 | C05 | H5 | 108.2° | 109.5° |
| C05 | C06 | H6 | 107.4° | 109.5° |
| C06 | C11 | C10 | 115.8° | 109.5° |
| C11 | C06 | H6 | 107.6° | 109.4° |
| C06 | C11 | H15 | 107.9° | 109.4° |
| C06 | C11 | H16 | 107.9° | 109.5° |
| O15 | C14 | C16 | 117.0° | 120.0° |
| C14 | C16 | C23 | 117.0° | 109.4° |
| C14 | C16 | C17 | 106.2° | 109.4° |
| C14 | C16 | H19 | 106.3° | 109.5° |
| C09 | C10 | C11 | 114.0° | 109.5° |
| C10 | C09 | H11 | 108.6° | 109.5° |
| C10 | C09 | H12 | 108.6° | 109.5° |
| C09 | C10 | H13 | 108.3° | 109.5° |
| C09 | C10 | H14 | 108.3° | 109.5° |
| C23 | C16 | C17 | 114.6° | 109.5° |
| C16 | C23 | C28 | 121.4° | 120.0° |
| C16 | C23 | C24 | 122.8° | 120.0° |
| C23 | C16 | H19 | 105.8° | 109.5° |
| C16 | C17 | C18 | 121.2° | 120.0° |
| C16 | C17 | C22 | 121.4° | 120.0° |
| C17 | C16 | H19 | 106.2° | 109.5° |
| C11 | C10 | H13 | 108.3° | 109.4° |
| C11 | C10 | H14 | 108.3° | 109.5° |
| C10 | C11 | H15 | 107.9° | 109.5° |
| C10 | C11 | H16 | 107.8° | 109.5° |
| C23 | C28 | C27 | 122.6° | 120.0° |
| C28 | C23 | C24 | 115.7° | 120.0° |
| C23 | C28 | H29 | 118.7° | 120.0° |
| C28 | C27 | C26 | 121.1° | 120.0° |
| C28 | C27 | H28 | 119.4° | 120.0° |
| C27 | C28 | H29 | 118.7° | 120.0° |
| C23 | C24 | C25 | 122.3° | 119.9° |
| C23 | C24 | H25 | 118.9° | 120.0° |
| C27 | C26 | C25 | 118.1° | 120.0° |
| C27 | C26 | H27 | 120.9° | 120.0° |
| C26 | C27 | H28 | 119.4° | 120.0° |
| C24 | C25 | C26 | 120.2° | 120.0° |
| C25 | C24 | H25 | 118.8° | 120.1° |
| C24 | C25 | H26 | 119.9° | 119.9° |
| C18 | C17 | C22 | 117.4° | 120.0° |
| C17 | C18 | C19 | 122.3° | 120.0° |
| C17 | C18 | H20 | 118.8° | 120.0° |
| C17 | C22 | C21 | 121.0° | 120.0° |
| C17 | C22 | H24 | 119.5° | 120.0° |
| C26 | C25 | H26 | 119.9° | 120.0° |
| C25 | C26 | H27 | 121.0° | 120.0° |
| C18 | C19 | C20 | 119.3° | 120.0° |
| C19 | C18 | H20 | 118.9° | 120.0° |
| C18 | C19 | H21 | 120.4° | 120.0° |
| C22 | C21 | C20 | 121.3° | 120.0° |
| C22 | C21 | H23 | 119.4° | 120.0° |
| C21 | C22 | H24 | 119.5° | 120.0° |
| C19 | C20 | C21 | 118.8° | 120.0° |
| C20 | C19 | H21 | 120.4° | 120.0° |
| C19 | C20 | H22 | 120.6° | 120.0° |
| C21 | C20 | H22 | 120.6° | 120.0° |
| C20 | C21 | H23 | 119.3° | 120.0° |
| H2 | C03 | H3 | 109.4° | 109.5° |
| H4 | C05 | H5 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H11 | C09 | H12 | 109.5° | 109.4° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C12 | N13 | H17 | 120.0° | 119.9° |
| C02 | C12 | N13 | H18 | 120.0° | 120.1° |
| C12 | C02 | O01 | C03 | 120.2° | 120.0° |
| C12 | C02 | O01 | H1 | 120.8° | 120.0° |
| C12 | C02 | C03 | H1 | 121.0° | 120.0° |
| C02 | C12 | N13 | C14 | 113.3° | 180.0° |
| C12 | C02 | C03 | N04 | 21.1° | 180.0° |
| C12 | C02 | C03 | H2 | 141.2° | 60.0° |
| C12 | C02 | C03 | H3 | 99.1° | 60.0° |
| C02 | C12 | H17 | H18 | 119.9° | 120.0° |
| C02 | C12 | N13 | H32 | 66.7° | 0.0° |
| C12 | C02 | O01 | H33 | 180.0° | 60.0° |
| N13 | C12 | C02 | O01 | 55.4° | 65.1° |
| N13 | C12 | C02 | C03 | 61.4° | 175.0° |
| C12 | N13 | C14 | H32 | 180.0° | 180.0° |
| C12 | N13 | C14 | O15 | 0.3° | 0.1° |
| C12 | N13 | C14 | C16 | 177.2° | 180.0° |
| N13 | C12 | C02 | H1 | 177.6° | 55.0° |
| N13 | C12 | H17 | H18 | 119.9° | 120.0° |
| O01 | C02 | C03 | H1 | 120.5° | 120.1° |
| O01 | C02 | C03 | N04 | 139.6° | 60.0° |
| O01 | C02 | C03 | H2 | 100.2° | 59.9° |
| O01 | C02 | C03 | H3 | 19.4° | 180.0° |
| O01 | C02 | C12 | H17 | 64.6° | 175.0° |
| O01 | C02 | C12 | H18 | 175.4° | 55.0° |
| C02 | C03 | N04 | H2 | 120.2° | 120.0° |
| C02 | C03 | N04 | H3 | 120.2° | 120.0° |
| C02 | C03 | N04 | C05 | 98.2° | 180.0° |
| C02 | C03 | H2 | H3 | 119.6° | 120.0° |
| C03 | C02 | C12 | H17 | 178.6° | 55.0° |
| C03 | C02 | C12 | H18 | 58.6° | 65.0° |
| C02 | C03 | N04 | H30 | 141.2° | 56.1° |
| C03 | C02 | O01 | H33 | 59.7° | 60.0° |
| C08 | C07 | C06 | H7 | 120.8° | 120.0° |
| C08 | C07 | C06 | H8 | 120.8° | 120.0° |
| C07 | C08 | C09 | H9 | 120.7° | 120.0° |
| C07 | C08 | C09 | H10 | 120.7° | 120.0° |
| C08 | C07 | C06 | C05 | 179.2° | 180.0° |
| C08 | C07 | C06 | C11 | 54.6° | 60.0° |
| C07 | C08 | C09 | C10 | 34.9° | 60.0° |
| C08 | C07 | C06 | H6 | 62.4° | 60.0° |
| C08 | C07 | H7 | H8 | 117.5° | 120.0° |
| C07 | C08 | H9 | H10 | 117.9° | 120.0° |
| C07 | C08 | C09 | H11 | 85.7° | 179.9° |
| C07 | C08 | C09 | H12 | 155.4° | 60.1° |
| C06 | C07 | C08 | C09 | 19.1° | 60.0° |
| C07 | C06 | C05 | N04 | 134.5° | 65.0° |
| C07 | C06 | C05 | C11 | 124.1° | 120.0° |
| C07 | C06 | C05 | H6 | 118.5° | 120.0° |
| C07 | C06 | C11 | H6 | 117.1° | 120.0° |
| C07 | C06 | C11 | C10 | 35.8° | 60.0° |
| C07 | C06 | C05 | H4 | 13.8° | 175.0° |
| C07 | C06 | C05 | H5 | 104.7° | 55.0° |
| C06 | C07 | H7 | H8 | 117.5° | 120.0° |
| C06 | C07 | C08 | H9 | 101.6° | 60.0° |
| C06 | C07 | C08 | H10 | 139.8° | 180.0° |
| C07 | C06 | C11 | H15 | 85.1° | 60.0° |
| C07 | C06 | C11 | H16 | 156.7° | 180.0° |
| N13 | C14 | O15 | C16 | 177.3° | 179.9° |
| N13 | C14 | C16 | C23 | 139.3° | 60.0° |
| N13 | C14 | C16 | C17 | 91.3° | 180.0° |
| C14 | N13 | C12 | H17 | 126.7° | 60.1° |
| C14 | N13 | C12 | H18 | 6.7° | 59.9° |
| N13 | C14 | C16 | H19 | 21.5° | 60.0° |
| C08 | C09 | C10 | H11 | 120.5° | 120.0° |
| C08 | C09 | C10 | H12 | 120.5° | 120.1° |
| C08 | C09 | C10 | C11 | 53.5° | 60.0° |
| C09 | C08 | C07 | H7 | 101.7° | 180.0° |
| C09 | C08 | C07 | H8 | 139.9° | 60.0° |
| C09 | C08 | H9 | H10 | 117.9° | 120.0° |
| C08 | C09 | H11 | H12 | 118.4° | 119.9° |
| C08 | C09 | C10 | H13 | 174.2° | 59.9° |
| C08 | C09 | C10 | H14 | 67.1° | 180.0° |
| C03 | N04 | C05 | H30 | 120.6° | 123.9° |
| C03 | N04 | C05 | C06 | 169.3° | 180.0° |
| N04 | C03 | C02 | H1 | 99.9° | 60.0° |
| N04 | C03 | H2 | H3 | 119.5° | 120.0° |
| C03 | N04 | C05 | H4 | 48.5° | 60.0° |
| C03 | N04 | C05 | H5 | 70.0° | 60.0° |
| N04 | C05 | C06 | H4 | 120.7° | 120.0° |
| N04 | C05 | C06 | H5 | 120.8° | 120.0° |
| N04 | C05 | C06 | C11 | 101.3° | 175.0° |
| C05 | N04 | C03 | H2 | 22.0° | 60.0° |
| C05 | N04 | C03 | H3 | 141.6° | 60.0° |
| N04 | C05 | H4 | H5 | 117.7° | 120.0° |
| N04 | C05 | C06 | H6 | 16.1° | 55.0° |
| C05 | C06 | C11 | H6 | 117.3° | 120.0° |
| C05 | C06 | C11 | C10 | 161.4° | NaN° |
| C06 | C05 | H4 | H5 | 117.6° | 120.0° |
| C05 | C06 | C07 | H7 | 58.4° | 60.0° |
| C05 | C06 | C07 | H8 | 60.0° | 60.0° |
| C05 | C06 | C11 | H15 | 40.5° | 60.0° |
| C05 | C06 | C11 | H16 | 77.7° | 59.9° |
| C06 | C05 | N04 | H30 | 70.2° | 56.1° |
| C06 | C11 | C10 | C09 | 16.4° | 60.0° |
| C06 | C11 | C10 | H15 | 120.9° | 119.9° |
| C06 | C11 | C10 | H16 | 120.9° | 120.0° |
| C11 | C06 | C05 | H4 | 137.9° | 55.0° |
| C11 | C06 | C05 | H5 | 19.4° | 65.0° |
| C11 | C06 | C07 | H7 | 66.2° | 180.0° |
| C11 | C06 | C07 | H8 | 175.4° | 60.0° |
| C06 | C11 | C10 | H13 | 137.1° | 60.0° |
| C06 | C11 | C10 | H14 | 104.2° | 180.0° |
| C06 | C11 | H15 | H16 | 117.1° | 120.0° |
| O15 | C14 | C16 | C23 | 43.8° | 120.0° |
| O15 | C14 | C16 | C17 | 85.6° | 0.0° |
| O15 | C14 | C16 | H19 | 161.6° | 120.0° |
| O15 | C14 | N13 | H32 | 179.7° | 180.0° |
| C14 | C16 | C23 | C17 | 125.3° | 119.9° |
| C14 | C16 | C23 | H19 | 118.1° | 120.0° |
| C14 | C16 | C17 | H19 | 112.8° | 120.0° |
| C14 | C16 | C23 | C28 | 115.5° | 51.7° |
| C14 | C16 | C23 | C24 | 64.6° | 128.6° |
| C14 | C16 | C17 | C18 | 57.1° | 126.1° |
| C14 | C16 | C17 | C22 | 121.8° | 53.7° |
| C16 | C14 | N13 | H32 | 2.8° | 0.0° |
| C09 | C10 | C11 | H13 | 120.7° | 120.0° |
| C09 | C10 | C11 | H14 | 120.7° | 120.0° |
| C10 | C09 | C08 | H9 | 155.6° | 60.0° |
| C10 | C09 | C08 | H10 | 85.8° | 180.0° |
| C10 | C09 | H11 | H12 | 118.4° | 120.0° |
| C09 | C10 | H13 | H14 | 117.9° | 120.0° |
| C09 | C10 | C11 | H15 | 137.4° | 60.0° |
| C09 | C10 | C11 | H16 | 104.5° | 180.0° |
| C23 | C16 | C17 | H19 | 116.4° | 120.0° |
| C16 | C23 | C28 | C24 | 179.9° | 179.7° |
| C16 | C23 | C28 | C27 | 179.9° | 179.7° |
| C16 | C23 | C24 | C25 | 180.0° | 180.0° |
| C23 | C16 | C17 | C18 | 73.6° | 114.0° |
| C23 | C16 | C17 | C22 | 107.5° | 66.2° |
| C16 | C23 | C24 | H25 | 0.1° | 0.1° |
| C16 | C23 | C28 | H29 | 0.1° | 0.1° |
| C17 | C16 | C23 | C28 | 119.2° | 68.2° |
| C17 | C16 | C23 | C24 | 60.6° | 111.4° |
| C16 | C17 | C18 | C22 | 178.9° | 179.8° |
| C16 | C17 | C18 | C19 | 179.7° | 180.0° |
| C16 | C17 | C22 | C21 | 179.7° | 179.7° |
| C16 | C17 | C18 | H20 | 0.3° | 0.0° |
| C16 | C17 | C22 | H24 | 0.3° | 0.0° |
| C10 | C11 | C06 | H6 | 81.3° | 60.0° |
| C11 | C10 | C09 | H11 | 67.0° | 180.0° |
| C11 | C10 | C09 | H12 | 174.1° | 60.0° |
| C11 | C10 | H13 | H14 | 117.9° | 120.0° |
| C10 | C11 | H15 | H16 | 117.1° | 120.1° |
| C23 | C28 | C27 | H29 | 180.0° | 179.6° |
| C23 | C28 | C27 | C26 | 0.1° | 0.6° |
| C28 | C23 | C24 | C25 | 0.2° | 0.3° |
| C28 | C23 | C16 | H19 | 2.6° | 171.7° |
| C28 | C23 | C24 | H25 | 179.8° | 179.7° |
| C23 | C28 | C27 | H28 | 179.9° | 179.7° |
| C27 | C28 | C23 | C24 | 0.0° | 0.6° |
| C28 | C27 | C26 | H28 | 180.0° | 179.6° |
| C28 | C27 | C26 | C25 | 0.4° | 0.3° |
| C28 | C27 | C26 | H27 | 179.6° | 179.7° |
| C23 | C24 | C25 | H25 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.5° | 0.0° |
| C24 | C23 | C16 | H19 | 177.3° | 8.6° |
| C23 | C24 | C25 | H26 | 179.5° | 180.0° |
| C24 | C23 | C28 | H29 | 180.0° | 179.7° |
| C27 | C26 | C25 | C24 | 0.6° | 0.0° |
| C27 | C26 | C25 | H27 | 180.0° | 179.9° |
| C27 | C26 | C25 | H26 | 179.4° | 180.0° |
| C26 | C27 | C28 | H29 | 179.9° | 179.7° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| C24 | C25 | C26 | H27 | 179.4° | 180.0° |
| C17 | C18 | C19 | H20 | 180.0° | 180.0° |
| C18 | C17 | C22 | C21 | 0.8° | 0.5° |
| C17 | C18 | C19 | C20 | 0.5° | 0.0° |
| C18 | C17 | C16 | H19 | 170.0° | 6.0° |
| C17 | C18 | C19 | H21 | 179.6° | 180.0° |
| C18 | C17 | C22 | H24 | 179.2° | 179.8° |
| C22 | C17 | C18 | C19 | 0.8° | 0.2° |
| C17 | C22 | C21 | H24 | 180.0° | 179.7° |
| C17 | C22 | C21 | C20 | 0.5° | 0.5° |
| C22 | C17 | C16 | H19 | 9.0° | 173.7° |
| C22 | C17 | C18 | H20 | 179.2° | 179.7° |
| C17 | C22 | C21 | H23 | 179.5° | 179.7° |
| C26 | C25 | C24 | H25 | 179.5° | 180.0° |
| C25 | C26 | C27 | H28 | 179.6° | 180.0° |
| C18 | C19 | C20 | H21 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H22 | 179.9° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.2° |
| C22 | C21 | C20 | H23 | 180.0° | 179.8° |
| C22 | C21 | C20 | H22 | 179.9° | 179.7° |
| C19 | C20 | C21 | H22 | 180.0° | 179.9° |
| C20 | C19 | C18 | H20 | 179.5° | 180.0° |
| C19 | C20 | C21 | H23 | 179.8° | 180.0° |
| C21 | C20 | C19 | H21 | 179.9° | 180.0° |
| C20 | C21 | C22 | H24 | 179.5° | 179.8° |
| H1 | C02 | C03 | H2 | 20.2° | 180.0° |
| H1 | C02 | C03 | H3 | 139.9° | 60.0° |
| H1 | C02 | C12 | H17 | 57.5° | 64.9° |
| H1 | C02 | C12 | H18 | 62.4° | 175.0° |
| H1 | C02 | O01 | H33 | 59.3° | 180.0° |
| H2 | C03 | N04 | H30 | 98.6° | 176.0° |
| H3 | C03 | N04 | H30 | 21.1° | 64.0° |
| H4 | C05 | C06 | H6 | 104.7° | 65.0° |
| H4 | C05 | N04 | H30 | 169.1° | 63.9° |
| H5 | C05 | C06 | H6 | 136.9° | 175.0° |
| H5 | C05 | N04 | H30 | 50.6° | 176.1° |
| H6 | C06 | C07 | H7 | 176.8° | 60.0° |
| H6 | C06 | C07 | H8 | 58.4° | 180.0° |
| H6 | C06 | C11 | H15 | 157.8° | 180.0° |
| H6 | C06 | C11 | H16 | 39.6° | 60.1° |
| H7 | C07 | C08 | H9 | 137.6° | 60.0° |
| H7 | C07 | C08 | H10 | 19.0° | 60.0° |
| H8 | C07 | C08 | H9 | 19.2° | 180.0° |
| H8 | C07 | C08 | H10 | 99.4° | 60.0° |
| H9 | C08 | C09 | H11 | 35.0° | 60.1° |
| H9 | C08 | C09 | H12 | 83.9° | 179.9° |
| H10 | C08 | C09 | H11 | 153.7° | 60.0° |
| H10 | C08 | C09 | H12 | 34.7° | 59.9° |
| H11 | C09 | C10 | H13 | 53.7° | 60.1° |
| H11 | C09 | C10 | H14 | 172.3° | 60.0° |
| H12 | C09 | C10 | H13 | 65.3° | 180.0° |
| H12 | C09 | C10 | H14 | 53.4° | 59.9° |
| H13 | C10 | C11 | H15 | 101.9° | 179.9° |
| H13 | C10 | C11 | H16 | 16.2° | 60.0° |
| H14 | C10 | C11 | H15 | 16.7° | 60.0° |
| H14 | C10 | C11 | H16 | 134.9° | 60.0° |
| H17 | C12 | N13 | H32 | 53.3° | 120.0° |
| H18 | C12 | N13 | H32 | 173.3° | 120.0° |
| H20 | C18 | C19 | H21 | 0.4° | 0.0° |
| H21 | C19 | C20 | H22 | 0.1° | 0.0° |
| H22 | C20 | C21 | H23 | 0.2° | 0.1° |
| H23 | C21 | C22 | H24 | 0.5° | 0.0° |
| H25 | C24 | C25 | H26 | 0.5° | 0.0° |
| H26 | C25 | C26 | H27 | 0.6° | 0.0° |
| H27 | C26 | C27 | H28 | 0.5° | 0.1° |
| H28 | C27 | C28 | H29 | 0.2° | 0.1° |
