VTV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N2 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C14 | N2 | sing | 1.46Å | 1.45Å | |
| N2 | C15 | sing | 1.35Å | 1.45Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C18 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | O2 | doub | 1.22Å | 1.18Å | |
| C15 | C16 | sing | 1.47Å | 1.53Å | |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.33Å | 1.31Å | |
| C19 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | CL1 | sing | 1.74Å | 1.79Å | |
| C2 | O1 | sing | 1.36Å | 1.39Å | |
| CL2 | C8 | sing | 1.74Å | 1.79Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C3 | sing | 1.36Å | 1.40Å | |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.43Å | 1.52Å | |
| C6 | N1 | trip | 1.14Å | 1.13Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C13 | C12 | 112.9° | 109.4° |
| C13 | N2 | C14 | 119.5° | 120.0° |
| C13 | N2 | C15 | 123.1° | 120.0° |
| N2 | C13 | H7 | 108.6° | 109.5° |
| N2 | C13 | H8 | 108.6° | 109.5° |
| C13 | C12 | C11 | 109.0° | 109.5° |
| C13 | C12 | H5 | 109.6° | 109.5° |
| C13 | C12 | H6 | 109.6° | 109.5° |
| C12 | C13 | H7 | 108.6° | 109.5° |
| C12 | C13 | H8 | 108.6° | 109.5° |
| C14 | N2 | C15 | 117.3° | 120.0° |
| N2 | C14 | H9 | 109.5° | 109.5° |
| N2 | C14 | H10 | 109.4° | 109.5° |
| N2 | C14 | H11 | 109.5° | 109.5° |
| N2 | C15 | O2 | 116.7° | 120.0° |
| N2 | C15 | C16 | 124.0° | 120.0° |
| C12 | C11 | C18 | 120.1° | 120.0° |
| C12 | C11 | C10 | 118.2° | 119.9° |
| C11 | C12 | H5 | 109.6° | 109.4° |
| C11 | C12 | H6 | 109.6° | 109.4° |
| C11 | C18 | C19 | 119.5° | 120.1° |
| C18 | C11 | C10 | 121.8° | 120.1° |
| C11 | C18 | H15 | 120.3° | 120.0° |
| C18 | C19 | C1 | 119.0° | 120.0° |
| C19 | C18 | H15 | 120.3° | 119.9° |
| C18 | C19 | H16 | 120.5° | 120.0° |
| O2 | C15 | C16 | 119.2° | 119.9° |
| C15 | C16 | C17 | 118.6° | 120.0° |
| C15 | C16 | H12 | 120.7° | 120.0° |
| C11 | C10 | C2 | 118.7° | 120.0° |
| C11 | C10 | H4 | 120.6° | 120.0° |
| C17 | C16 | H12 | 120.7° | 120.0° |
| C16 | C17 | H14 | 120.0° | 120.0° |
| C16 | C17 | H13 | 120.0° | 120.0° |
| C19 | C1 | C2 | 120.9° | 119.9° |
| C19 | C1 | CL1 | 121.1° | 120.0° |
| C1 | C19 | H16 | 120.5° | 120.0° |
| C10 | C2 | C1 | 120.1° | 119.9° |
| C10 | C2 | O1 | 120.4° | 120.1° |
| C2 | C10 | H4 | 120.6° | 120.0° |
| C2 | C1 | CL1 | 118.0° | 120.0° |
| C1 | C2 | O1 | 119.4° | 120.0° |
| C2 | O1 | C3 | 117.4° | 118.0° |
| CL2 | C8 | C9 | 121.5° | 119.9° |
| CL2 | C8 | C7 | 118.6° | 119.9° |
| C8 | C9 | C3 | 119.8° | 120.2° |
| C9 | C8 | C7 | 119.9° | 120.3° |
| C8 | C9 | H3 | 120.1° | 119.9° |
| C9 | C3 | O1 | 122.2° | 120.0° |
| C9 | C3 | C4 | 120.2° | 120.1° |
| C3 | C9 | H3 | 120.1° | 119.9° |
| O1 | C3 | C4 | 117.5° | 119.9° |
| C8 | C7 | C5 | 120.2° | 119.9° |
| C8 | C7 | H2 | 119.9° | 120.1° |
| C3 | C4 | C5 | 119.8° | 119.8° |
| C3 | C4 | H1 | 120.1° | 120.1° |
| C7 | C5 | C4 | 120.2° | 119.8° |
| C7 | C5 | C6 | 119.6° | 120.1° |
| C5 | C7 | H2 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.1° |
| C5 | C4 | H1 | 120.1° | 120.1° |
| C5 | C6 | N1 | 179.4° | 179.9° |
| H5 | C12 | H6 | 109.4° | 109.4° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H11 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H14 | C17 | H13 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C13 | C12 | H7 | 120.5° | 120.0° |
| N2 | C13 | C12 | H8 | 120.5° | 120.0° |
| C13 | N2 | C14 | C15 | 177.7° | 180.0° |
| N2 | C13 | C12 | C11 | 53.0° | 180.0° |
| C13 | N2 | C15 | O2 | 177.6° | 0.0° |
| C13 | N2 | C15 | C16 | 1.5° | 180.0° |
| N2 | C13 | C12 | H5 | 172.9° | 60.0° |
| N2 | C13 | C12 | H6 | 66.9° | 60.0° |
| N2 | C13 | H7 | H8 | 118.4° | 120.0° |
| C13 | N2 | C14 | H9 | 180.0° | 90.0° |
| C13 | N2 | C14 | H10 | 60.0° | 150.0° |
| C13 | N2 | C14 | H11 | 60.0° | 30.0° |
| C12 | C13 | N2 | C14 | 131.4° | 90.0° |
| C12 | C13 | N2 | C15 | 51.1° | 90.0° |
| C13 | C12 | C11 | H5 | 119.9° | 120.1° |
| C13 | C12 | C11 | H6 | 120.0° | 120.0° |
| C13 | C12 | C11 | C18 | 40.1° | 90.5° |
| C13 | C12 | C11 | C10 | 140.0° | 90.0° |
| C13 | C12 | H5 | H6 | 120.2° | 120.0° |
| C12 | C13 | H7 | H8 | 118.4° | 120.0° |
| C14 | N2 | C15 | O2 | 0.0° | 180.0° |
| C14 | N2 | C15 | C16 | 179.1° | 0.0° |
| C14 | N2 | C13 | H7 | 10.9° | 30.0° |
| C14 | N2 | C13 | H8 | 108.1° | 150.0° |
| N2 | C14 | H9 | H10 | 120.0° | 120.1° |
| N2 | C14 | H9 | H11 | 120.0° | 120.0° |
| N2 | C14 | H10 | H11 | 120.0° | 120.0° |
| N2 | C15 | O2 | C16 | 179.1° | 179.9° |
| N2 | C15 | C16 | C17 | 164.5° | 180.0° |
| C15 | N2 | C13 | H7 | 171.6° | 150.0° |
| C15 | N2 | C13 | H8 | 69.4° | 30.0° |
| C15 | N2 | C14 | H9 | 2.3° | 90.1° |
| C15 | N2 | C14 | H10 | 117.7° | 29.9° |
| C15 | N2 | C14 | H11 | 122.3° | 150.0° |
| N2 | C15 | C16 | H12 | 15.5° | 0.0° |
| C12 | C11 | C18 | C10 | 179.9° | 179.5° |
| C12 | C11 | C18 | C19 | 179.6° | 179.8° |
| C12 | C11 | C10 | C2 | 179.0° | 180.0° |
| C11 | C12 | H5 | H6 | 120.2° | 119.9° |
| C11 | C12 | C13 | H7 | 67.5° | 60.0° |
| C11 | C12 | C13 | H8 | 173.5° | 60.0° |
| C12 | C11 | C10 | H4 | 1.0° | 0.0° |
| C12 | C11 | C18 | H15 | 0.4° | 0.1° |
| C11 | C18 | C19 | H15 | 180.0° | 179.9° |
| C11 | C18 | C19 | C1 | 0.1° | 0.5° |
| C18 | C11 | C10 | C2 | 0.9° | 0.5° |
| C18 | C11 | C12 | H5 | 79.8° | 149.5° |
| C18 | C11 | C12 | H6 | 160.0° | 29.5° |
| C18 | C11 | C10 | H4 | 179.1° | 179.5° |
| C11 | C18 | C19 | H16 | 179.9° | 179.5° |
| C19 | C18 | C11 | C10 | 0.3° | 0.7° |
| C18 | C19 | C1 | H16 | 180.0° | 180.0° |
| C18 | C19 | C1 | C2 | 0.5° | 0.0° |
| C18 | C19 | C1 | CL1 | 179.6° | 179.8° |
| O2 | C15 | C16 | C17 | 14.6° | 0.0° |
| O2 | C15 | C16 | H12 | 165.4° | 179.9° |
| C15 | C16 | C17 | H12 | 180.0° | 180.0° |
| C15 | C16 | C17 | H14 | 180.0° | 180.0° |
| C15 | C16 | C17 | H13 | 0.0° | 0.0° |
| C11 | C10 | C2 | H4 | 180.0° | 180.0° |
| C11 | C10 | C2 | C1 | 1.3° | 0.0° |
| C11 | C10 | C2 | O1 | 179.1° | 180.0° |
| C10 | C11 | C12 | H5 | 100.1° | 30.1° |
| C10 | C11 | C12 | H6 | 20.1° | 150.0° |
| C10 | C11 | C18 | H15 | 179.7° | 179.4° |
| C16 | C17 | H14 | H13 | 180.0° | 180.0° |
| C19 | C1 | C2 | C10 | 1.2° | 0.3° |
| C19 | C1 | C2 | CL1 | 179.9° | 179.8° |
| C19 | C1 | C2 | O1 | 178.9° | 179.8° |
| C1 | C19 | C18 | H15 | 180.0° | 179.7° |
| C10 | C2 | C1 | O1 | 177.8° | 180.0° |
| C10 | C2 | C1 | CL1 | 178.9° | 180.0° |
| C10 | C2 | O1 | C3 | 40.7° | 0.6° |
| C1 | C2 | O1 | C3 | 141.5° | 179.4° |
| C1 | C2 | C10 | H4 | 178.6° | 180.0° |
| C2 | C1 | C19 | H16 | 179.5° | 180.0° |
| CL1 | C1 | C2 | O1 | 1.1° | 0.0° |
| CL1 | C1 | C19 | H16 | 0.5° | 0.2° |
| C2 | O1 | C3 | C9 | 51.3° | 90.2° |
| C2 | O1 | C3 | C4 | 132.5° | 90.1° |
| O1 | C2 | C10 | H4 | 0.9° | 0.0° |
| CL2 | C8 | C9 | C7 | 179.0° | 180.0° |
| CL2 | C8 | C9 | C3 | 178.2° | 180.0° |
| CL2 | C8 | C7 | C5 | 179.2° | 179.9° |
| CL2 | C8 | C7 | H2 | 0.8° | 0.1° |
| CL2 | C8 | C9 | H3 | 1.8° | 0.0° |
| C8 | C9 | C3 | H3 | 180.0° | 180.0° |
| C8 | C9 | C3 | O1 | 177.9° | 179.7° |
| C8 | C9 | C3 | C4 | 1.7° | 0.0° |
| C9 | C8 | C7 | C5 | 0.2° | 0.0° |
| C9 | C8 | C7 | H2 | 179.9° | 179.9° |
| C9 | C3 | O1 | C4 | 176.3° | 179.7° |
| C3 | C9 | C8 | C7 | 0.8° | 0.0° |
| C9 | C3 | C4 | C5 | 1.6° | 0.1° |
| C9 | C3 | C4 | H1 | 178.4° | 179.9° |
| O1 | C3 | C4 | C5 | 178.0° | 179.8° |
| O1 | C3 | C4 | H1 | 2.0° | 0.4° |
| O1 | C3 | C9 | H3 | 2.1° | 0.3° |
| C8 | C7 | C5 | H2 | 180.0° | 179.9° |
| C8 | C7 | C5 | C4 | 0.3° | 0.1° |
| C8 | C7 | C5 | C6 | 180.0° | 180.0° |
| C7 | C8 | C9 | H3 | 179.1° | 180.0° |
| C3 | C4 | C5 | C7 | 0.6° | 0.1° |
| C3 | C4 | C5 | H1 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 179.1° | 180.0° |
| C4 | C3 | C9 | H3 | 178.2° | 180.0° |
| C7 | C5 | C4 | C6 | 179.7° | 179.9° |
| C7 | C5 | C6 | N1 | 0.2° | 150.8° |
| C7 | C5 | C4 | H1 | 179.4° | 180.0° |
| C4 | C5 | C6 | N1 | 179.5° | 29.1° |
| C4 | C5 | C7 | H2 | 179.7° | 180.0° |
| C6 | C5 | C4 | H1 | 0.9° | 0.1° |
| C6 | C5 | C7 | H2 | 0.0° | 0.1° |
| H5 | C12 | C13 | H7 | 52.4° | 60.0° |
| H5 | C12 | C13 | H8 | 66.6° | 180.0° |
| H6 | C12 | C13 | H7 | 172.6° | 180.0° |
| H6 | C12 | C13 | H8 | 53.6° | 60.0° |
| H9 | C14 | H10 | H11 | 120.0° | 119.9° |
| H12 | C16 | C17 | H14 | 0.0° | 0.0° |
| H12 | C16 | C17 | H13 | 180.0° | 180.0° |
| H15 | C18 | C19 | H16 | 0.0° | 0.3° |
