I3O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | O01 | sing | 1.43Å | 1.43Å | |
| O01 | C02 | sing | 1.36Å | 1.40Å | |
| C02 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.45Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.44Å | Aromatic |
| C01 | C06 | doub | 1.37Å | 1.40Å | Aromatic |
| C04 | N01 | sing | 1.37Å | 1.44Å | Aromatic |
| C04 | C05 | doub | 1.42Å | 1.44Å | Aromatic |
| N01 | C07 | sing | 1.37Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.43Å | Aromatic |
| C05 | C08 | sing | 1.45Å | 1.46Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | C16 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | doub | 1.35Å | 1.37Å | Aromatic |
| C07 | C09 | sing | 1.50Å | 1.53Å | |
| C08 | C11 | sing | 1.51Å | 1.49Å | |
| C09 | C13 | sing | 1.53Å | 1.56Å | |
| C09 | N02 | sing | 1.48Å | 1.55Å | |
| C11 | C10 | sing | 1.54Å | 1.61Å | |
| N02 | C10 | sing | 1.46Å | 1.57Å | |
| N02 | C17 | sing | 1.33Å | 1.43Å | |
| C10 | C18 | sing | 1.49Å | 1.64Å | |
| O03 | C17 | doub | 1.21Å | 1.20Å | |
| C17 | C19 | sing | 1.49Å | 1.63Å | |
| C18 | O02 | doub | 1.21Å | 1.20Å | |
| C18 | N03 | sing | 1.33Å | 1.42Å | |
| C19 | N03 | sing | 1.45Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.60Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C21 | C22 | sing | 1.51Å | 1.57Å | |
| C22 | O04 | sing | 1.34Å | 1.37Å | |
| C22 | O05 | doub | 1.21Å | 1.21Å | |
| O04 | C23 | sing | 1.45Å | 1.45Å | |
| C25 | C23 | sing | 1.53Å | 1.58Å | |
| C26 | C23 | sing | 1.53Å | 1.56Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H17 | sing | 1.08Å | 1.08Å | |
| C03 | H18 | sing | 1.08Å | 1.08Å | |
| C06 | H19 | sing | 1.08Å | 1.08Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| N01 | H34 | sing | 0.97Å | 1.00Å | |
| N03 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | O01 | C02 | 119.3° | 117.0° |
| O01 | C12 | H23 | 109.5° | 109.5° |
| O01 | C12 | H24 | 109.5° | 109.4° |
| O01 | C12 | H25 | 109.5° | 109.5° |
| O01 | C02 | C03 | 120.6° | 118.9° |
| O01 | C02 | C01 | 121.4° | 119.0° |
| C03 | C02 | C01 | 118.0° | 122.1° |
| C02 | C03 | C04 | 120.8° | 116.9° |
| C02 | C03 | H18 | 119.6° | 121.5° |
| C02 | C01 | C06 | 121.7° | 122.1° |
| C02 | C01 | H17 | 119.1° | 119.0° |
| C03 | C04 | N01 | 132.1° | 132.0° |
| C03 | C04 | C05 | 120.8° | 120.6° |
| C04 | C03 | H18 | 119.6° | 121.6° |
| C01 | C06 | C05 | 120.9° | 116.9° |
| C06 | C01 | H17 | 119.1° | 118.9° |
| C01 | C06 | H19 | 119.5° | 121.6° |
| N01 | C04 | C05 | 107.1° | 107.3° |
| C04 | N01 | C07 | 108.1° | 109.7° |
| C04 | N01 | H34 | 125.9° | 125.2° |
| C04 | C05 | C06 | 117.7° | 121.3° |
| C04 | C05 | C08 | 106.6° | 106.1° |
| N01 | C07 | C08 | 109.4° | 109.9° |
| N01 | C07 | C09 | 127.6° | 126.6° |
| C07 | N01 | H34 | 125.9° | 125.1° |
| C06 | C05 | C08 | 135.6° | 132.6° |
| C05 | C06 | H19 | 119.6° | 121.5° |
| C05 | C08 | C07 | 108.8° | 107.0° |
| C05 | C08 | C11 | 129.5° | 128.3° |
| C15 | C14 | C16 | 110.2° | 109.5° |
| C15 | C14 | C13 | 111.3° | 109.5° |
| C14 | C15 | H4 | 109.5° | 109.5° |
| C14 | C15 | H5 | 109.5° | 109.5° |
| C14 | C15 | H6 | 109.5° | 109.5° |
| C15 | C14 | H26 | 108.3° | 109.5° |
| C16 | C14 | C13 | 110.4° | 109.5° |
| C16 | C14 | H26 | 108.3° | 109.5° |
| C14 | C16 | H27 | 109.5° | 109.4° |
| C14 | C16 | H28 | 109.5° | 109.5° |
| C14 | C16 | H29 | 109.4° | 109.5° |
| C14 | C13 | C09 | 115.8° | 109.4° |
| C14 | C13 | H2 | 107.8° | 109.5° |
| C14 | C13 | H3 | 107.9° | 109.5° |
| C13 | C14 | H26 | 108.3° | 109.4° |
| C08 | C07 | C09 | 123.0° | 123.5° |
| C07 | C08 | C11 | 121.7° | 124.7° |
| C07 | C09 | C13 | 113.9° | 109.9° |
| C07 | C09 | N02 | 112.7° | 107.5° |
| C07 | C09 | H20 | 107.4° | 109.9° |
| C08 | C11 | C10 | 107.6° | 108.9° |
| C08 | C11 | H21 | 110.0° | 109.6° |
| C08 | C11 | H22 | 109.9° | 109.5° |
| C13 | C09 | N02 | 108.2° | 110.4° |
| C09 | C13 | H2 | 107.9° | 109.5° |
| C09 | C13 | H3 | 107.9° | 109.4° |
| C13 | C09 | H20 | 107.1° | 109.9° |
| C09 | N02 | C10 | 117.4° | 117.8° |
| C09 | N02 | C17 | 116.5° | 119.0° |
| N02 | C09 | H20 | 107.2° | 109.3° |
| C11 | C10 | N02 | 112.6° | 108.5° |
| C11 | C10 | C18 | 110.8° | 109.6° |
| C11 | C10 | H1 | 107.1° | 108.9° |
| C10 | C11 | H21 | 109.9° | 109.6° |
| C10 | C11 | H22 | 109.9° | 109.5° |
| C10 | N02 | C17 | 125.0° | 123.2° |
| N02 | C10 | C18 | 111.4° | 112.0° |
| N02 | C10 | H1 | 107.7° | 108.9° |
| N02 | C17 | O03 | 125.5° | 117.8° |
| N02 | C17 | C19 | 114.1° | 124.4° |
| C10 | C18 | O02 | 121.4° | 117.9° |
| C10 | C18 | N03 | 111.9° | 124.2° |
| C18 | C10 | H1 | 106.9° | 108.9° |
| O03 | C17 | C19 | 120.4° | 117.8° |
| C17 | C19 | N03 | 109.3° | 112.1° |
| C17 | C19 | C20 | 110.3° | 109.0° |
| C17 | C19 | H30 | 107.1° | 109.0° |
| O02 | C18 | N03 | 126.7° | 117.9° |
| C18 | N03 | C19 | 127.7° | 123.7° |
| C18 | N03 | H35 | 116.2° | 118.2° |
| N03 | C19 | C20 | 114.1° | 107.2° |
| N03 | C19 | H30 | 108.3° | 110.6° |
| C19 | N03 | H35 | 116.1° | 118.1° |
| C19 | C20 | C21 | 116.0° | 109.5° |
| C19 | C20 | H7 | 107.8° | 109.5° |
| C19 | C20 | H8 | 107.8° | 109.4° |
| C20 | C19 | H30 | 107.5° | 108.8° |
| C20 | C21 | C22 | 114.5° | 109.5° |
| C21 | C20 | H7 | 107.8° | 109.5° |
| C21 | C20 | H8 | 107.8° | 109.4° |
| C20 | C21 | H9 | 108.2° | 109.5° |
| C20 | C21 | H10 | 108.2° | 109.5° |
| C21 | C22 | O04 | 122.1° | 120.0° |
| C21 | C22 | O05 | 117.9° | 120.0° |
| C22 | C21 | H9 | 108.2° | 109.5° |
| C22 | C21 | H10 | 108.2° | 109.4° |
| O04 | C22 | O05 | 120.0° | 120.0° |
| C22 | O04 | C23 | 120.3° | 117.0° |
| O04 | C23 | C25 | 111.9° | 109.5° |
| O04 | C23 | C26 | 106.6° | 109.5° |
| O04 | C23 | C24 | 108.9° | 109.5° |
| C25 | C23 | C26 | 109.0° | 109.5° |
| C25 | C23 | C24 | 109.2° | 109.4° |
| C23 | C25 | H31 | 109.5° | 109.5° |
| C23 | C25 | H32 | 109.5° | 109.5° |
| C23 | C25 | H33 | 109.5° | 109.5° |
| C26 | C23 | C24 | 111.3° | 109.5° |
| C23 | C26 | H14 | 109.5° | 109.5° |
| C23 | C26 | H15 | 109.5° | 109.5° |
| C23 | C26 | H16 | 109.5° | 109.5° |
| C23 | C24 | H11 | 109.5° | 109.5° |
| C23 | C24 | H12 | 109.5° | 109.5° |
| C23 | C24 | H13 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H4 | C15 | H6 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.4° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H11 | C24 | H13 | 109.5° | 109.4° |
| H12 | C24 | H13 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.4° | 109.5° |
| H14 | C26 | H16 | 109.5° | 109.4° |
| H15 | C26 | H16 | 109.4° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.6° |
| H23 | C12 | H24 | 109.4° | 109.5° |
| H23 | C12 | H25 | 109.4° | 109.5° |
| H24 | C12 | H25 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.5° |
| H27 | C16 | H29 | 109.5° | 109.5° |
| H28 | C16 | H29 | 109.5° | 109.5° |
| H31 | C25 | H32 | 109.5° | 109.5° |
| H31 | C25 | H33 | 109.5° | 109.4° |
| H32 | C25 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | O01 | C02 | C03 | 1.0° | 180.0° |
| C12 | O01 | C02 | C01 | 179.1° | 0.0° |
| O01 | C12 | H23 | H24 | 120.0° | 119.9° |
| O01 | C12 | H23 | H25 | 120.0° | 120.0° |
| O01 | C12 | H24 | H25 | 120.0° | 120.0° |
| O01 | C02 | C03 | C01 | 179.9° | 180.0° |
| O01 | C02 | C03 | C04 | 180.0° | 179.9° |
| O01 | C02 | C01 | C06 | 179.9° | 179.9° |
| O01 | C02 | C01 | H17 | 0.1° | 0.1° |
| O01 | C02 | C03 | H18 | 0.0° | 0.1° |
| C02 | O01 | C12 | H23 | 180.0° | 180.0° |
| C02 | O01 | C12 | H24 | 60.0° | 60.0° |
| C02 | O01 | C12 | H25 | 60.0° | 60.0° |
| C02 | C03 | C04 | H18 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.0° | 0.1° |
| C02 | C03 | C04 | N01 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.1° | 0.1° |
| C03 | C02 | C01 | H17 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C02 | C01 | C06 | H17 | 180.0° | 180.0° |
| C02 | C01 | C06 | C05 | 0.0° | 0.0° |
| C01 | C02 | C03 | H18 | 179.9° | 180.0° |
| C02 | C01 | C06 | H19 | 180.0° | 180.0° |
| C03 | C04 | N01 | C05 | 179.9° | 180.0° |
| C03 | C04 | N01 | C07 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.0° | 0.1° |
| C03 | C04 | C05 | C08 | 179.8° | 179.8° |
| C03 | C04 | N01 | H34 | 0.0° | 0.0° |
| C01 | C06 | C05 | C04 | 0.0° | 0.1° |
| C01 | C06 | C05 | H19 | 180.0° | 180.0° |
| C01 | C06 | C05 | C08 | 179.8° | 179.9° |
| C04 | N01 | C07 | H34 | 180.0° | 180.0° |
| N01 | C04 | C05 | C06 | 180.0° | 179.8° |
| N01 | C04 | C05 | C08 | 0.1° | 0.2° |
| C04 | N01 | C07 | C08 | 0.2° | 0.0° |
| C04 | N01 | C07 | C09 | 179.7° | 179.2° |
| N01 | C04 | C03 | H18 | 0.0° | 0.1° |
| C05 | C04 | N01 | C07 | 0.0° | 0.1° |
| C04 | C05 | C06 | C08 | 179.8° | 180.0° |
| C04 | C05 | C08 | C07 | 0.3° | 0.2° |
| C04 | C05 | C08 | C11 | 179.3° | 179.5° |
| C05 | C04 | C03 | H18 | 179.9° | 179.9° |
| C04 | C05 | C06 | H19 | 180.0° | 179.9° |
| C05 | C04 | N01 | H34 | 179.9° | 180.0° |
| N01 | C07 | C08 | C05 | 0.3° | 0.2° |
| N01 | C07 | C08 | C09 | 179.5° | 179.2° |
| N01 | C07 | C08 | C11 | 179.4° | 179.5° |
| N01 | C07 | C09 | C13 | 85.0° | 47.6° |
| N01 | C07 | C09 | N02 | 151.2° | 167.8° |
| N01 | C07 | C09 | H20 | 33.4° | 73.4° |
| C06 | C05 | C08 | C07 | 179.9° | 179.8° |
| C06 | C05 | C08 | C11 | 0.9° | 0.5° |
| C05 | C06 | C01 | H17 | 179.9° | 180.0° |
| C05 | C08 | C07 | C11 | 179.1° | 179.7° |
| C05 | C08 | C07 | C09 | 179.9° | 179.4° |
| C05 | C08 | C11 | C10 | 138.7° | 163.0° |
| C08 | C05 | C06 | H19 | 0.2° | 0.1° |
| C05 | C08 | C11 | H21 | 19.0° | 77.1° |
| C05 | C08 | C11 | H22 | 101.6° | 43.3° |
| C15 | C14 | C16 | C13 | 123.3° | 120.0° |
| C15 | C14 | C16 | H26 | 118.3° | 120.0° |
| C15 | C14 | C13 | H26 | 118.9° | 120.0° |
| C15 | C14 | C13 | C09 | 83.6° | 162.9° |
| C15 | C14 | C13 | H2 | 155.4° | 77.1° |
| C15 | C14 | C13 | H3 | 37.3° | 43.0° |
| C14 | C15 | H4 | H5 | 120.0° | 120.1° |
| C14 | C15 | H4 | H6 | 120.0° | 120.0° |
| C14 | C15 | H5 | H6 | 120.0° | 120.0° |
| C15 | C14 | C16 | H27 | 180.0° | 167.1° |
| C15 | C14 | C16 | H28 | 60.0° | 72.9° |
| C15 | C14 | C16 | H29 | 60.0° | 47.2° |
| C16 | C14 | C13 | H26 | 118.4° | 120.0° |
| C16 | C14 | C13 | C09 | 153.6° | 42.9° |
| C16 | C14 | C13 | H2 | 32.7° | 162.9° |
| C16 | C14 | C13 | H3 | 85.4° | 77.0° |
| C16 | C14 | C15 | H4 | 180.0° | 59.9° |
| C16 | C14 | C15 | H5 | 60.0° | 180.0° |
| C16 | C14 | C15 | H6 | 60.0° | 60.0° |
| C14 | C16 | H27 | H28 | 120.0° | 120.0° |
| C14 | C16 | H27 | H29 | 120.0° | 120.0° |
| C14 | C16 | H28 | H29 | 120.0° | 120.0° |
| C14 | C13 | C09 | C07 | 63.9° | 48.2° |
| C14 | C13 | C09 | H2 | 120.9° | 120.0° |
| C14 | C13 | C09 | H3 | 120.9° | 120.0° |
| C14 | C13 | C09 | N02 | 169.9° | 70.3° |
| C14 | C13 | H2 | H3 | 117.1° | 120.1° |
| C13 | C14 | C15 | H4 | 57.2° | 180.0° |
| C13 | C14 | C15 | H5 | 62.8° | 59.9° |
| C13 | C14 | C15 | H6 | 177.2° | 60.0° |
| C14 | C13 | C09 | H20 | 54.7° | 169.2° |
| C13 | C14 | C16 | H27 | 56.7° | 47.1° |
| C13 | C14 | C16 | H28 | 176.7° | 167.1° |
| C13 | C14 | C16 | H29 | 63.3° | 72.9° |
| C08 | C07 | C09 | C13 | 94.4° | 131.5° |
| C08 | C07 | C09 | N02 | 29.3° | 11.3° |
| C07 | C08 | C11 | C10 | 40.2° | 17.3° |
| C08 | C07 | C09 | H20 | 147.1° | 107.5° |
| C07 | C08 | C11 | H21 | 159.9° | 102.6° |
| C07 | C08 | C11 | H22 | 79.5° | 137.1° |
| C08 | C07 | N01 | H34 | 179.8° | 179.9° |
| C09 | C07 | C08 | C11 | 1.0° | 0.3° |
| C07 | C09 | C13 | N02 | 126.2° | 118.4° |
| C07 | C09 | C13 | H20 | 118.6° | 121.0° |
| C07 | C09 | N02 | H20 | 118.0° | 119.2° |
| C07 | C09 | N02 | C10 | 11.9° | 45.4° |
| C07 | C09 | N02 | C17 | 157.0° | 134.6° |
| C07 | C09 | C13 | H2 | 57.0° | 71.8° |
| C07 | C09 | C13 | H3 | 175.2° | 168.1° |
| C09 | C07 | N01 | H34 | 0.3° | 0.7° |
| C08 | C11 | C10 | H21 | 119.7° | 119.9° |
| C08 | C11 | C10 | H22 | 119.7° | 119.8° |
| C08 | C11 | C10 | N02 | 52.7° | 45.6° |
| C08 | C11 | C10 | C18 | 178.3° | 168.3° |
| C08 | C11 | C10 | H1 | 65.5° | 72.7° |
| C08 | C11 | H21 | H22 | 120.9° | 120.3° |
| C13 | C09 | N02 | H20 | 115.2° | 121.0° |
| C13 | C09 | N02 | C10 | 115.0° | 165.3° |
| C13 | C09 | N02 | C17 | 76.1° | 14.7° |
| C09 | C13 | H2 | H3 | 117.1° | 119.9° |
| C09 | C13 | C14 | H26 | 35.2° | 77.1° |
| C09 | N02 | C10 | C11 | 27.7° | 65.3° |
| C09 | N02 | C10 | C17 | 167.8° | 180.0° |
| C09 | N02 | C10 | C18 | 152.9° | 173.5° |
| C09 | N02 | C17 | O03 | 5.6° | 3.1° |
| C09 | N02 | C17 | C19 | 174.6° | 174.9° |
| C09 | N02 | C10 | H1 | 90.2° | 53.0° |
| N02 | C09 | C13 | H2 | 69.2° | 169.7° |
| N02 | C09 | C13 | H3 | 49.0° | 49.7° |
| C11 | C10 | N02 | C18 | 125.2° | 121.2° |
| C11 | C10 | N02 | H1 | 117.9° | 118.4° |
| C11 | C10 | N02 | C17 | 164.4° | 114.6° |
| C11 | C10 | C18 | H1 | 116.4° | 119.0° |
| C11 | C10 | C18 | O02 | 37.1° | 63.7° |
| C11 | C10 | C18 | N03 | 143.4° | 116.3° |
| C10 | C11 | H21 | H22 | 120.9° | 120.3° |
| N02 | C10 | C18 | H1 | 117.4° | 120.5° |
| C10 | N02 | C17 | O03 | 162.4° | 176.9° |
| C10 | N02 | C17 | C19 | 17.5° | 5.1° |
| N02 | C10 | C18 | O02 | 163.4° | 175.8° |
| N02 | C10 | C18 | N03 | 17.2° | 4.2° |
| C10 | N02 | C09 | H20 | 129.8° | 73.8° |
| N02 | C10 | C11 | H21 | 172.5° | 74.2° |
| N02 | C10 | C11 | H22 | 67.0° | 165.4° |
| C17 | N02 | C10 | C18 | 39.2° | 6.5° |
| N02 | C17 | O03 | C19 | 179.8° | 178.1° |
| N02 | C17 | C19 | N03 | 22.1° | 0.6° |
| N02 | C17 | C19 | C20 | 148.4° | 119.2° |
| C17 | N02 | C10 | H1 | 77.7° | 127.0° |
| C17 | N02 | C09 | H20 | 39.1° | 106.2° |
| N02 | C17 | C19 | H30 | 95.0° | 122.1° |
| C10 | C18 | O02 | N03 | 179.4° | 180.0° |
| C10 | C18 | N03 | C19 | 25.3° | 0.3° |
| C18 | C10 | C11 | H21 | 62.0° | 48.4° |
| C18 | C10 | C11 | H22 | 58.6° | 71.9° |
| C10 | C18 | N03 | H35 | 154.7° | 179.7° |
| O03 | C17 | C19 | N03 | 158.0° | 178.6° |
| O03 | C17 | C19 | C20 | 31.8° | 62.8° |
| O03 | C17 | C19 | H30 | 84.9° | 55.8° |
| C17 | C19 | N03 | C18 | 47.0° | 1.7° |
| C17 | C19 | N03 | C20 | 124.0° | 119.6° |
| C17 | C19 | N03 | H30 | 116.3° | 121.9° |
| C17 | C19 | C20 | H30 | 116.4° | 118.8° |
| C17 | C19 | C20 | C21 | 24.8° | 175.0° |
| C17 | C19 | C20 | H7 | 96.2° | 55.0° |
| C17 | C19 | C20 | H8 | 145.7° | 65.0° |
| C17 | C19 | N03 | H35 | 133.0° | 178.2° |
| O02 | C18 | N03 | C19 | 154.1° | 179.7° |
| O02 | C18 | C10 | H1 | 79.3° | 55.3° |
| O02 | C18 | N03 | H35 | 25.9° | 0.3° |
| C18 | N03 | C19 | H35 | 180.0° | 180.0° |
| C18 | N03 | C19 | C20 | 171.1° | 117.9° |
| N03 | C18 | C10 | H1 | 100.2° | 124.7° |
| C18 | N03 | C19 | H30 | 69.3° | 123.6° |
| N03 | C19 | C20 | H30 | 120.1° | 119.6° |
| N03 | C19 | C20 | C21 | 98.7° | 63.4° |
| N03 | C19 | C20 | H7 | 140.3° | 176.6° |
| N03 | C19 | C20 | H8 | 22.2° | 56.5° |
| C19 | C20 | C21 | H7 | 120.9° | 120.1° |
| C19 | C20 | C21 | H8 | 120.9° | 119.9° |
| C19 | C20 | C21 | C22 | 148.6° | 180.0° |
| C19 | C20 | H7 | H8 | 117.0° | 120.0° |
| C19 | C20 | C21 | H9 | 27.8° | 60.0° |
| C19 | C20 | C21 | H10 | 90.7° | 60.0° |
| C20 | C19 | N03 | H35 | 8.9° | 62.2° |
| C20 | C21 | C22 | H9 | 120.7° | 120.0° |
| C20 | C21 | C22 | H10 | 120.7° | 120.0° |
| C20 | C21 | C22 | O04 | 136.0° | 179.9° |
| C20 | C21 | C22 | O05 | 44.1° | 0.0° |
| C21 | C20 | H7 | H8 | 117.0° | 120.0° |
| C20 | C21 | H9 | H10 | 117.7° | 120.0° |
| C21 | C20 | C19 | H30 | 141.2° | 56.3° |
| C21 | C22 | O04 | O05 | 179.9° | 179.9° |
| C21 | C22 | O04 | C23 | 144.9° | 180.0° |
| C22 | C21 | C20 | H7 | 90.5° | 60.0° |
| C22 | C21 | C20 | H8 | 27.6° | 60.0° |
| C22 | C21 | H9 | H10 | 117.7° | 120.0° |
| C22 | O04 | C23 | C25 | 163.1° | 60.0° |
| C22 | O04 | C23 | C26 | 44.0° | 60.0° |
| C22 | O04 | C23 | C24 | 76.1° | 180.0° |
| O04 | C22 | C21 | H9 | 15.2° | 59.9° |
| O04 | C22 | C21 | H10 | 103.3° | 60.1° |
| O05 | C22 | O04 | C23 | 35.0° | 0.1° |
| O05 | C22 | C21 | H9 | 164.9° | 120.0° |
| O05 | C22 | C21 | H10 | 76.6° | 120.0° |
| O04 | C23 | C25 | C26 | 117.6° | 120.0° |
| O04 | C23 | C25 | C24 | 120.6° | 120.0° |
| O04 | C23 | C26 | C24 | 118.5° | 120.0° |
| O04 | C23 | C24 | H11 | 180.0° | 60.1° |
| O04 | C23 | C24 | H12 | 60.0° | 60.0° |
| O04 | C23 | C24 | H13 | 60.0° | 180.0° |
| O04 | C23 | C26 | H14 | 180.0° | 180.0° |
| O04 | C23 | C26 | H15 | 60.0° | 60.0° |
| O04 | C23 | C26 | H16 | 60.0° | 60.0° |
| O04 | C23 | C25 | H31 | 180.0° | 180.0° |
| O04 | C23 | C25 | H32 | 60.0° | 60.0° |
| O04 | C23 | C25 | H33 | 60.0° | 60.0° |
| C25 | C23 | C26 | C24 | 120.5° | 120.0° |
| C25 | C23 | C24 | H11 | 57.5° | 180.0° |
| C25 | C23 | C24 | H12 | 177.6° | 60.0° |
| C25 | C23 | C24 | H13 | 62.4° | 60.1° |
| C25 | C23 | C26 | H14 | 59.0° | 60.0° |
| C25 | C23 | C26 | H15 | 60.9° | 60.0° |
| C25 | C23 | C26 | H16 | 179.1° | 180.0° |
| C23 | C25 | H31 | H32 | 120.0° | 120.0° |
| C23 | C25 | H31 | H33 | 120.0° | 120.0° |
| C23 | C25 | H32 | H33 | 120.0° | 120.0° |
| C26 | C23 | C24 | H11 | 62.8° | 60.0° |
| C26 | C23 | C24 | H12 | 57.2° | 180.0° |
| C26 | C23 | C24 | H13 | 177.2° | 60.0° |
| C23 | C26 | H14 | H15 | 120.0° | 120.0° |
| C23 | C26 | H14 | H16 | 120.0° | 120.0° |
| C23 | C26 | H15 | H16 | 120.0° | 120.0° |
| C26 | C23 | C25 | H31 | 62.3° | 60.0° |
| C26 | C23 | C25 | H32 | 177.7° | 180.0° |
| C26 | C23 | C25 | H33 | 57.7° | 60.0° |
| C23 | C24 | H11 | H12 | 120.0° | 120.1° |
| C23 | C24 | H11 | H13 | 120.0° | 120.0° |
| C23 | C24 | H12 | H13 | 120.0° | 120.0° |
| C24 | C23 | C26 | H14 | 61.5° | 60.0° |
| C24 | C23 | C26 | H15 | 178.5° | 180.0° |
| C24 | C23 | C26 | H16 | 58.6° | 60.0° |
| C24 | C23 | C25 | H31 | 59.4° | 60.1° |
| C24 | C23 | C25 | H32 | 60.6° | 60.0° |
| C24 | C23 | C25 | H33 | 179.4° | 180.0° |
| H1 | C10 | C11 | H21 | 54.3° | 167.4° |
| H1 | C10 | C11 | H22 | 174.8° | 47.1° |
| H2 | C13 | C09 | H20 | 175.6° | 49.1° |
| H2 | C13 | C14 | H26 | 85.7° | 42.9° |
| H3 | C13 | C09 | H20 | 66.2° | 70.9° |
| H3 | C13 | C14 | H26 | 156.2° | 163.0° |
| H4 | C15 | H5 | H6 | 120.0° | 120.0° |
| H4 | C15 | C14 | H26 | 61.7° | 60.1° |
| H5 | C15 | C14 | H26 | 178.3° | 60.0° |
| H6 | C15 | C14 | H26 | 58.3° | 180.0° |
| H7 | C20 | C21 | H9 | 148.8° | 60.0° |
| H7 | C20 | C21 | H10 | 30.3° | 179.9° |
| H7 | C20 | C19 | H30 | 20.3° | 63.8° |
| H8 | C20 | C21 | H9 | 93.1° | 180.0° |
| H8 | C20 | C21 | H10 | 148.4° | 59.9° |
| H8 | C20 | C19 | H30 | 97.8° | 176.2° |
| H11 | C24 | H12 | H13 | 120.0° | 119.9° |
| H14 | C26 | H15 | H16 | 120.0° | 119.9° |
| H17 | C01 | C06 | H19 | 0.1° | 0.0° |
| H23 | C12 | H24 | H25 | 119.9° | 120.0° |
| H26 | C14 | C16 | H27 | 61.7° | 72.9° |
| H26 | C14 | C16 | H28 | 58.3° | 47.1° |
| H26 | C14 | C16 | H29 | 178.3° | 167.1° |
| H27 | C16 | H28 | H29 | 120.0° | 120.0° |
| H30 | C19 | N03 | H35 | 110.7° | 56.4° |
| H31 | C25 | H32 | H33 | 120.0° | 119.9° |
