25N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | B03 | sing | 1.42Å | 1.47Å | |
| O05 | B03 | sing | 1.42Å | 1.48Å | |
| B03 | C06 | sing | 1.57Å | 1.59Å | |
| C16 | C15 | sing | 1.53Å | 1.49Å | |
| C19 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C15 | sing | 1.53Å | 1.50Å | |
| C06 | C07 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.55Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | C08 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.54Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C09 | C11 | sing | 1.53Å | 1.53Å | |
| C09 | C12 | sing | 1.53Å | 1.51Å | |
| O04 | H1 | sing | 0.97Å | 0.95Å | |
| O05 | H2 | sing | 0.97Å | 0.95Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | B03 | O05 | 106.5° | 120.0° |
| O04 | B03 | C06 | 110.1° | 120.0° |
| B03 | O04 | H1 | 109.5° | 114.0° |
| O05 | B03 | C06 | 108.9° | 120.0° |
| B03 | O05 | H2 | 109.5° | 114.0° |
| B03 | C06 | C19 | 120.1° | 120.1° |
| B03 | C06 | C07 | 119.8° | 120.1° |
| C16 | C15 | C18 | 105.3° | 109.5° |
| C16 | C15 | C14 | 112.3° | 109.4° |
| C16 | C15 | C17 | 108.3° | 109.4° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| C15 | C16 | H15 | 109.5° | 109.5° |
| C15 | C16 | H16 | 109.4° | 109.5° |
| C06 | C19 | C14 | 119.7° | 119.8° |
| C19 | C06 | C07 | 120.0° | 119.8° |
| C06 | C19 | H23 | 120.2° | 120.1° |
| C19 | C14 | C15 | 120.2° | 119.9° |
| C19 | C14 | C13 | 119.7° | 120.1° |
| C14 | C19 | H23 | 120.2° | 120.1° |
| C18 | C15 | C14 | 108.7° | 109.5° |
| C18 | C15 | C17 | 108.6° | 109.5° |
| C15 | C18 | H20 | 109.5° | 109.5° |
| C15 | C18 | H21 | 109.5° | 109.5° |
| C15 | C18 | H22 | 109.5° | 109.5° |
| C06 | C07 | C08 | 121.4° | 119.8° |
| C06 | C07 | H3 | 119.3° | 120.1° |
| C14 | C15 | C17 | 113.2° | 109.5° |
| C15 | C14 | C13 | 120.0° | 120.0° |
| C15 | C17 | H17 | 109.5° | 109.4° |
| C15 | C17 | H18 | 109.4° | 109.5° |
| C15 | C17 | H19 | 109.5° | 109.5° |
| C14 | C13 | C08 | 121.1° | 120.3° |
| C14 | C13 | H13 | 119.5° | 119.9° |
| C07 | C08 | C13 | 118.1° | 120.1° |
| C07 | C08 | C09 | 122.3° | 119.9° |
| C08 | C07 | H3 | 119.3° | 120.1° |
| C13 | C08 | C09 | 119.5° | 120.0° |
| C08 | C13 | H13 | 119.5° | 119.9° |
| C08 | C09 | C10 | 104.4° | 109.4° |
| C08 | C09 | C11 | 115.0° | 109.5° |
| C08 | C09 | C12 | 113.9° | 109.5° |
| C10 | C09 | C11 | 105.6° | 109.5° |
| C10 | C09 | C12 | 109.5° | 109.5° |
| C09 | C10 | H4 | 109.5° | 109.5° |
| C09 | C10 | H5 | 109.5° | 109.5° |
| C09 | C10 | H6 | 109.5° | 109.5° |
| C11 | C09 | C12 | 108.0° | 109.5° |
| C09 | C11 | H7 | 109.5° | 109.5° |
| C09 | C11 | H8 | 109.5° | 109.5° |
| C09 | C11 | H9 | 109.5° | 109.5° |
| C09 | C12 | H10 | 109.5° | 109.5° |
| C09 | C12 | H11 | 109.5° | 109.5° |
| C09 | C12 | H12 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H6 | 109.4° | 109.5° |
| H5 | C10 | H6 | 109.4° | 109.5° |
| H7 | C11 | H8 | 109.4° | 109.5° |
| H7 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H10 | C12 | H12 | 109.4° | 109.4° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H14 | C16 | H16 | 109.4° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H17 | C17 | H19 | 109.5° | 109.4° |
| H18 | C17 | H19 | 109.4° | 109.5° |
| H20 | C18 | H21 | 109.4° | 109.5° |
| H20 | C18 | H22 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | B03 | O05 | C06 | 118.7° | 179.7° |
| O04 | B03 | C06 | C19 | 26.3° | 179.7° |
| O04 | B03 | C06 | C07 | 151.0° | 0.0° |
| O04 | B03 | O05 | H2 | 180.0° | 0.3° |
| O05 | B03 | C06 | C19 | 142.7° | 0.6° |
| O05 | B03 | C06 | C07 | 34.7° | 179.8° |
| O05 | B03 | O04 | H1 | 180.0° | 0.3° |
| B03 | C06 | C19 | C07 | 177.4° | 179.7° |
| B03 | C06 | C19 | C14 | 178.5° | 179.8° |
| B03 | C06 | C07 | C08 | 178.5° | 180.0° |
| C06 | B03 | O04 | H1 | 62.2° | 180.0° |
| C06 | B03 | O05 | H2 | 61.3° | 180.0° |
| B03 | C06 | C07 | H3 | 1.5° | 0.1° |
| B03 | C06 | C19 | H23 | 1.5° | 0.1° |
| C16 | C15 | C14 | C19 | 75.0° | 120.3° |
| C16 | C15 | C18 | C14 | 120.6° | 120.0° |
| C16 | C15 | C18 | C17 | 115.8° | 120.0° |
| C16 | C15 | C14 | C17 | 123.0° | 119.9° |
| C16 | C15 | C14 | C13 | 102.9° | 60.0° |
| C15 | C16 | H14 | H15 | 120.0° | 120.0° |
| C15 | C16 | H14 | H16 | 120.0° | 120.0° |
| C15 | C16 | H15 | H16 | 120.0° | 120.0° |
| C16 | C15 | C17 | H17 | 180.0° | 180.0° |
| C16 | C15 | C17 | H18 | 60.0° | 60.1° |
| C16 | C15 | C17 | H19 | 60.0° | 60.0° |
| C16 | C15 | C18 | H20 | 180.0° | 60.0° |
| C16 | C15 | C18 | H21 | 60.0° | 60.0° |
| C16 | C15 | C18 | H22 | 60.0° | 180.0° |
| C06 | C19 | C14 | H23 | 180.0° | 179.7° |
| C06 | C19 | C14 | C15 | 179.7° | 179.7° |
| C06 | C19 | C14 | C13 | 2.3° | 0.6° |
| C19 | C06 | C07 | C08 | 1.2° | 0.3° |
| C19 | C06 | C07 | H3 | 178.8° | 179.8° |
| C19 | C14 | C15 | C18 | 41.2° | 0.3° |
| C14 | C19 | C06 | C07 | 1.2° | 0.6° |
| C19 | C14 | C15 | C13 | 177.9° | 179.7° |
| C19 | C14 | C15 | C17 | 162.0° | 119.8° |
| C19 | C14 | C13 | C08 | 3.5° | 0.3° |
| C19 | C14 | C13 | H13 | 176.5° | 179.7° |
| C18 | C15 | C14 | C17 | 120.9° | 120.1° |
| C18 | C15 | C14 | C13 | 140.9° | 180.0° |
| C18 | C15 | C16 | H14 | 180.0° | 180.0° |
| C18 | C15 | C16 | H15 | 60.0° | 60.0° |
| C18 | C15 | C16 | H16 | 60.0° | 60.0° |
| C18 | C15 | C17 | H17 | 66.1° | 60.0° |
| C18 | C15 | C17 | H18 | 173.9° | 59.9° |
| C18 | C15 | C17 | H19 | 53.9° | 180.0° |
| C15 | C18 | H20 | H21 | 120.0° | 120.0° |
| C15 | C18 | H20 | H22 | 120.0° | 120.0° |
| C15 | C18 | H21 | H22 | 120.0° | 120.0° |
| C06 | C07 | C08 | H3 | 180.0° | 179.9° |
| C06 | C07 | C08 | C13 | 2.2° | 0.0° |
| C06 | C07 | C08 | C09 | 176.9° | 180.0° |
| C07 | C06 | C19 | H23 | 178.8° | 179.8° |
| C15 | C14 | C13 | C08 | 178.6° | 180.0° |
| C15 | C14 | C13 | H13 | 1.4° | 0.0° |
| C14 | C15 | C16 | H14 | 61.8° | 60.0° |
| C14 | C15 | C16 | H15 | 58.2° | 180.0° |
| C14 | C15 | C16 | H16 | 178.2° | 60.0° |
| C14 | C15 | C17 | H17 | 54.8° | 60.0° |
| C14 | C15 | C17 | H18 | 65.2° | 180.0° |
| C14 | C15 | C17 | H19 | 174.8° | 59.9° |
| C14 | C15 | C18 | H20 | 59.5° | 60.0° |
| C14 | C15 | C18 | H21 | 179.4° | 180.0° |
| C14 | C15 | C18 | H22 | 60.6° | 60.0° |
| C15 | C14 | C19 | H23 | 0.2° | 0.0° |
| C17 | C15 | C14 | C13 | 20.1° | 59.9° |
| C17 | C15 | C16 | H14 | 63.9° | 60.0° |
| C17 | C15 | C16 | H15 | 176.1° | 60.0° |
| C17 | C15 | C16 | H16 | 56.1° | 180.0° |
| C15 | C17 | H17 | H18 | 120.0° | 120.0° |
| C15 | C17 | H17 | H19 | 120.0° | 120.0° |
| C15 | C17 | H18 | H19 | 120.0° | 120.1° |
| C17 | C15 | C18 | H20 | 64.2° | 180.0° |
| C17 | C15 | C18 | H21 | 55.8° | 60.0° |
| C17 | C15 | C18 | H22 | 175.8° | 60.1° |
| C14 | C13 | C08 | C07 | 3.4° | 0.0° |
| C14 | C13 | C08 | H13 | 180.0° | 180.0° |
| C14 | C13 | C08 | C09 | 178.2° | 180.0° |
| C13 | C14 | C19 | H23 | 177.7° | 179.8° |
| C07 | C08 | C13 | C09 | 174.8° | 180.0° |
| C07 | C08 | C09 | C10 | 105.9° | 120.0° |
| C07 | C08 | C09 | C11 | 9.3° | 0.0° |
| C07 | C08 | C09 | C12 | 134.7° | 120.0° |
| C07 | C08 | C13 | H13 | 176.6° | 180.0° |
| C13 | C08 | C09 | C10 | 68.7° | 60.0° |
| C13 | C08 | C09 | C11 | 176.2° | 180.0° |
| C13 | C08 | C09 | C12 | 50.7° | 60.0° |
| C13 | C08 | C07 | H3 | 177.8° | 179.9° |
| C08 | C09 | C10 | C11 | 121.6° | 120.0° |
| C08 | C09 | C10 | C12 | 122.3° | 120.0° |
| C08 | C09 | C11 | C12 | 128.4° | 120.0° |
| C09 | C08 | C07 | H3 | 3.1° | 0.1° |
| C08 | C09 | C10 | H4 | 180.0° | 60.0° |
| C08 | C09 | C10 | H5 | 60.0° | 180.0° |
| C08 | C09 | C10 | H6 | 60.0° | 60.0° |
| C08 | C09 | C11 | H7 | 180.0° | 60.0° |
| C08 | C09 | C11 | H8 | 60.0° | 180.0° |
| C08 | C09 | C11 | H9 | 60.0° | 60.0° |
| C08 | C09 | C12 | H10 | 180.0° | 60.0° |
| C08 | C09 | C12 | H11 | 60.0° | 180.0° |
| C08 | C09 | C12 | H12 | 60.0° | 60.0° |
| C09 | C08 | C13 | H13 | 1.8° | 0.0° |
| C10 | C09 | C11 | C12 | 117.1° | 120.0° |
| C09 | C10 | H4 | H5 | 120.0° | 120.0° |
| C09 | C10 | H4 | H6 | 120.0° | 120.0° |
| C09 | C10 | H5 | H6 | 120.0° | 120.0° |
| C10 | C09 | C11 | H7 | 65.5° | 180.0° |
| C10 | C09 | C11 | H8 | 174.5° | 60.0° |
| C10 | C09 | C11 | H9 | 54.5° | 60.0° |
| C10 | C09 | C12 | H10 | 63.6° | 60.0° |
| C10 | C09 | C12 | H11 | 56.4° | 60.0° |
| C10 | C09 | C12 | H12 | 176.4° | 180.0° |
| C11 | C09 | C10 | H4 | 58.4° | 60.0° |
| C11 | C09 | C10 | H5 | 61.6° | 60.0° |
| C11 | C09 | C10 | H6 | 178.4° | 180.0° |
| C09 | C11 | H7 | H8 | 120.0° | 120.0° |
| C09 | C11 | H7 | H9 | 120.0° | 120.0° |
| C09 | C11 | H8 | H9 | 120.0° | 120.0° |
| C11 | C09 | C12 | H10 | 51.0° | 180.0° |
| C11 | C09 | C12 | H11 | 171.0° | 60.0° |
| C11 | C09 | C12 | H12 | 69.0° | 60.0° |
| C12 | C09 | C10 | H4 | 57.7° | 180.0° |
| C12 | C09 | C10 | H5 | 177.7° | 60.0° |
| C12 | C09 | C10 | H6 | 62.3° | 60.0° |
| C12 | C09 | C11 | H7 | 51.5° | 60.0° |
| C12 | C09 | C11 | H8 | 68.4° | 60.0° |
| C12 | C09 | C11 | H9 | 171.6° | 180.0° |
| C09 | C12 | H10 | H11 | 120.0° | 120.0° |
| C09 | C12 | H10 | H12 | 120.0° | 120.0° |
| C09 | C12 | H11 | H12 | 120.0° | 120.0° |
| H4 | C10 | H5 | H6 | 119.9° | 120.0° |
| H7 | C11 | H8 | H9 | 120.0° | 120.0° |
| H10 | C12 | H11 | H12 | 119.9° | 120.0° |
| H14 | C16 | H15 | H16 | 120.0° | 120.0° |
| H17 | C17 | H18 | H19 | 120.0° | 120.0° |
| H20 | C18 | H21 | H22 | 120.0° | 120.0° |
