NVN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C6 | sing | 1.35Å | 1.36Å | |
| C5 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.36Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.36Å | 1.35Å | Aromatic |
| F2 | C4 | sing | 1.35Å | 1.35Å | |
| C4 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C8 | sing | 1.42Å | 1.42Å | Aromatic |
| C3 | N1 | sing | 1.34Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.44Å | Aromatic |
| N1 | C2 | doub | 1.31Å | 1.32Å | Aromatic |
| C9 | N2 | sing | 1.39Å | 1.42Å | |
| C9 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| N2 | C11 | sing | 1.35Å | 1.37Å | |
| C2 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| N3 | C11 | sing | 1.35Å | 1.37Å | |
| N3 | C12 | sing | 1.40Å | 1.41Å | |
| C11 | O1 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | N4 | sing | 1.40Å | 1.37Å | |
| C19 | N4 | sing | 1.47Å | 1.45Å | |
| N4 | C18 | sing | 1.46Å | 1.45Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C6 | C5 | 118.4° | 119.6° |
| F1 | C6 | C7 | 118.9° | 119.5° |
| C6 | C5 | C4 | 120.3° | 120.9° |
| C5 | C6 | C7 | 122.7° | 120.8° |
| C6 | C5 | H4 | 119.9° | 119.5° |
| C5 | C4 | F2 | 119.6° | 120.1° |
| C5 | C4 | C3 | 119.8° | 119.8° |
| C4 | C5 | H4 | 119.9° | 119.5° |
| C6 | C7 | C8 | 119.1° | 119.7° |
| C6 | C7 | H5 | 120.4° | 120.2° |
| F2 | C4 | C3 | 120.6° | 120.1° |
| C4 | C3 | C8 | 119.4° | 119.1° |
| C4 | C3 | N1 | 118.7° | 121.0° |
| C7 | C8 | C3 | 118.7° | 119.7° |
| C7 | C8 | C9 | 123.6° | 121.4° |
| C8 | C7 | H5 | 120.5° | 120.1° |
| C8 | C3 | N1 | 121.9° | 119.9° |
| C3 | C8 | C9 | 117.7° | 118.9° |
| C3 | N1 | C2 | 119.2° | 121.7° |
| C8 | C9 | N2 | 118.2° | 121.0° |
| C8 | C9 | C10 | 118.5° | 117.9° |
| N1 | C2 | C10 | 122.7° | 121.8° |
| N1 | C2 | C1 | 117.1° | 119.1° |
| N2 | C9 | C10 | 123.2° | 121.1° |
| C9 | N2 | C11 | 124.5° | 119.9° |
| C9 | N2 | H7 | 117.7° | 120.1° |
| C9 | C10 | C2 | 120.0° | 119.7° |
| C9 | C10 | H6 | 120.0° | 120.2° |
| N2 | C11 | N3 | 112.8° | 119.9° |
| N2 | C11 | O1 | 123.4° | 120.1° |
| C11 | N2 | H7 | 117.8° | 120.0° |
| C10 | C2 | C1 | 120.1° | 119.1° |
| C2 | C10 | H6 | 120.0° | 120.1° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C11 | N3 | C12 | 126.6° | 120.0° |
| N3 | C11 | O1 | 123.8° | 120.0° |
| C11 | N3 | H8 | 116.7° | 120.1° |
| N3 | C12 | C13 | 120.5° | 120.0° |
| N3 | C12 | C17 | 120.2° | 120.0° |
| C12 | N3 | H8 | 116.7° | 119.9° |
| C12 | C13 | C14 | 120.3° | 120.0° |
| C13 | C12 | C17 | 119.3° | 120.0° |
| C12 | C13 | H9 | 119.8° | 120.0° |
| C13 | C14 | C15 | 121.2° | 120.0° |
| C14 | C13 | H9 | 119.8° | 120.0° |
| C13 | C14 | H10 | 119.4° | 120.0° |
| C12 | C17 | C16 | 120.3° | 120.0° |
| C12 | C17 | H12 | 119.8° | 120.0° |
| C14 | C15 | C16 | 117.6° | 120.0° |
| C14 | C15 | N4 | 121.2° | 120.0° |
| C15 | C14 | H10 | 119.4° | 120.0° |
| C17 | C16 | C15 | 121.3° | 120.0° |
| C17 | C16 | H11 | 119.4° | 120.0° |
| C16 | C17 | H12 | 119.9° | 120.0° |
| C16 | C15 | N4 | 121.2° | 120.0° |
| C15 | C16 | H11 | 119.3° | 119.9° |
| C15 | N4 | C19 | 121.1° | 120.0° |
| C15 | N4 | C18 | 121.0° | 120.0° |
| C19 | N4 | C18 | 117.9° | 120.0° |
| N4 | C19 | H16 | 109.5° | 109.4° |
| N4 | C19 | H17 | 109.5° | 109.4° |
| N4 | C19 | H18 | 109.5° | 109.5° |
| N4 | C18 | H13 | 109.5° | 109.5° |
| N4 | C18 | H14 | 109.5° | 109.5° |
| N4 | C18 | H15 | 109.5° | 109.4° |
| H3 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.4° | 109.5° |
| H13 | C18 | H15 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H16 | C19 | H18 | 109.4° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C6 | C5 | C7 | 180.0° | 179.9° |
| F1 | C6 | C5 | C4 | 179.9° | 180.0° |
| F1 | C6 | C7 | C8 | 180.0° | 180.0° |
| F1 | C6 | C5 | H4 | 0.1° | 0.0° |
| F1 | C6 | C7 | H5 | 0.0° | 0.0° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C6 | C5 | C4 | F2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.1° |
| C5 | C6 | C7 | C8 | 0.0° | 0.1° |
| C5 | C6 | C7 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C5 | C4 | F2 | C3 | 179.9° | 179.9° |
| C5 | C4 | C3 | C8 | 0.1° | 0.1° |
| C5 | C4 | C3 | N1 | 180.0° | 179.8° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | C3 | 0.0° | 0.1° |
| C6 | C7 | C8 | C9 | 179.9° | 180.0° |
| C7 | C6 | C5 | H4 | 179.9° | 180.0° |
| F2 | C4 | C3 | C8 | 180.0° | 180.0° |
| F2 | C4 | C3 | N1 | 0.1° | 0.4° |
| F2 | C4 | C5 | H4 | 0.0° | 0.1° |
| C4 | C3 | C8 | C7 | 0.0° | 0.1° |
| C4 | C3 | C8 | N1 | 180.0° | 179.7° |
| C4 | C3 | C8 | C9 | 179.9° | 180.0° |
| C4 | C3 | N1 | C2 | 180.0° | 180.0° |
| C3 | C4 | C5 | H4 | 179.9° | 180.0° |
| C7 | C8 | C3 | C9 | 179.9° | 179.9° |
| C7 | C8 | C3 | N1 | 180.0° | 179.8° |
| C7 | C8 | C9 | N2 | 0.1° | 0.1° |
| C7 | C8 | C9 | C10 | 180.0° | 180.0° |
| C8 | C3 | N1 | C2 | 0.0° | 0.3° |
| C3 | C8 | C9 | N2 | 180.0° | 180.0° |
| C3 | C8 | C9 | C10 | 0.1° | 0.0° |
| C3 | C8 | C7 | H5 | 180.0° | 179.9° |
| N1 | C3 | C8 | C9 | 0.0° | 0.3° |
| C3 | N1 | C2 | C10 | 0.0° | 0.0° |
| C3 | N1 | C2 | C1 | 180.0° | 180.0° |
| C8 | C9 | N2 | C10 | 179.9° | 179.9° |
| C8 | C9 | N2 | C11 | 176.8° | 146.0° |
| C8 | C9 | C10 | C2 | 0.1° | 0.2° |
| C8 | C9 | C10 | H6 | 179.9° | 179.9° |
| C9 | C8 | C7 | H5 | 0.1° | 0.0° |
| C8 | C9 | N2 | H7 | 3.2° | 33.9° |
| N1 | C2 | C10 | C9 | 0.0° | 0.3° |
| N1 | C2 | C10 | C1 | 180.0° | 180.0° |
| N1 | C2 | C1 | H3 | 0.0° | 90.0° |
| N1 | C2 | C1 | H1 | 120.0° | 30.0° |
| N1 | C2 | C1 | H2 | 120.0° | 150.0° |
| N1 | C2 | C10 | H6 | 180.0° | 180.0° |
| C9 | N2 | C11 | H7 | 180.0° | 180.0° |
| N2 | C9 | C10 | C2 | 180.0° | 179.7° |
| C9 | N2 | C11 | N3 | 177.7° | 174.4° |
| C9 | N2 | C11 | O1 | 2.4° | 5.6° |
| N2 | C9 | C10 | H6 | 0.0° | 0.0° |
| C10 | C9 | N2 | C11 | 3.1° | 33.9° |
| C9 | C10 | C2 | H6 | 180.0° | 179.7° |
| C9 | C10 | C2 | C1 | 180.0° | 179.7° |
| C10 | C9 | N2 | H7 | 176.9° | 146.2° |
| N2 | C11 | N3 | O1 | 180.0° | 179.9° |
| N2 | C11 | N3 | C12 | 177.5° | 174.3° |
| N2 | C11 | N3 | H8 | 2.6° | 5.7° |
| C10 | C2 | C1 | H3 | 180.0° | 90.0° |
| C10 | C2 | C1 | H1 | 60.0° | 150.0° |
| C10 | C2 | C1 | H2 | 60.0° | 30.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | C10 | H6 | 0.0° | 0.0° |
| C11 | N3 | C12 | H8 | 180.0° | 180.0° |
| C11 | N3 | C12 | C13 | 175.9° | 34.8° |
| C11 | N3 | C12 | C17 | 4.0° | 145.5° |
| N3 | C11 | N2 | H7 | 2.4° | 5.7° |
| C12 | N3 | C11 | O1 | 2.5° | 5.6° |
| N3 | C12 | C13 | C17 | 180.0° | 179.7° |
| N3 | C12 | C13 | C14 | 180.0° | 179.7° |
| N3 | C12 | C17 | C16 | 180.0° | 179.7° |
| N3 | C12 | C13 | H9 | 0.0° | 0.3° |
| N3 | C12 | C17 | H12 | 0.1° | 0.3° |
| O1 | C11 | N2 | H7 | 177.6° | 174.4° |
| O1 | C11 | N3 | H8 | 177.5° | 174.3° |
| C12 | C13 | C14 | H9 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C12 | C17 | C16 | 0.0° | 0.0° |
| C12 | C13 | C14 | H10 | 179.9° | 180.0° |
| C13 | C12 | C17 | H12 | 179.9° | 180.0° |
| C13 | C12 | N3 | H8 | 4.1° | 145.2° |
| C14 | C13 | C12 | C17 | 0.1° | 0.0° |
| C13 | C14 | C15 | H10 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | N4 | 180.0° | 180.0° |
| C12 | C17 | C16 | H12 | 180.0° | 179.9° |
| C12 | C17 | C16 | C15 | 0.1° | 0.0° |
| C17 | C12 | C13 | H9 | 180.0° | 180.0° |
| C12 | C17 | C16 | H11 | 180.0° | 180.0° |
| C17 | C12 | N3 | H8 | 175.9° | 34.5° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | N4 | 180.0° | 180.0° |
| C14 | C15 | N4 | C19 | 1.7° | 0.0° |
| C14 | C15 | N4 | C18 | 178.2° | 180.0° |
| C15 | C14 | C13 | H9 | 180.0° | 180.0° |
| C14 | C15 | C16 | H11 | 179.9° | 180.0° |
| C17 | C16 | C15 | H11 | 180.0° | 180.0° |
| C17 | C16 | C15 | N4 | 180.0° | 180.0° |
| C16 | C15 | N4 | C19 | 178.2° | 180.0° |
| C16 | C15 | N4 | C18 | 1.8° | 0.0° |
| C16 | C15 | C14 | H10 | 179.9° | 180.0° |
| C15 | C16 | C17 | H12 | 179.9° | 179.9° |
| C15 | N4 | C19 | C18 | 180.0° | 180.0° |
| N4 | C15 | C14 | H10 | 0.1° | 0.0° |
| N4 | C15 | C16 | H11 | 0.0° | 0.0° |
| C15 | N4 | C18 | H13 | 180.0° | 60.0° |
| C15 | N4 | C18 | H14 | 60.0° | 180.0° |
| C15 | N4 | C18 | H15 | 60.0° | 60.0° |
| C15 | N4 | C19 | H16 | 180.0° | 90.0° |
| C15 | N4 | C19 | H17 | 60.0° | 150.0° |
| C15 | N4 | C19 | H18 | 60.0° | 30.0° |
| C19 | N4 | C18 | H13 | 0.1° | 120.0° |
| C19 | N4 | C18 | H14 | 120.1° | 0.0° |
| C19 | N4 | C18 | H15 | 120.0° | 120.0° |
| N4 | C19 | H16 | H17 | 120.0° | 119.9° |
| N4 | C19 | H16 | H18 | 120.0° | 120.0° |
| N4 | C19 | H17 | H18 | 120.0° | 120.0° |
| N4 | C18 | H13 | H14 | 120.0° | 120.0° |
| N4 | C18 | H13 | H15 | 120.0° | 120.0° |
| N4 | C18 | H14 | H15 | 120.0° | 120.0° |
| C18 | N4 | C19 | H16 | 0.1° | 90.0° |
| C18 | N4 | C19 | H17 | 119.9° | 30.0° |
| C18 | N4 | C19 | H18 | 120.0° | 149.9° |
| H3 | C1 | H1 | H2 | 119.9° | 120.0° |
| H9 | C13 | C14 | H10 | 0.1° | 0.0° |
| H11 | C16 | C17 | H12 | 0.1° | 0.0° |
| H13 | C18 | H14 | H15 | 120.0° | 120.0° |
| H16 | C19 | H17 | H18 | 119.9° | 120.1° |
