V2T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C11 | sing | 1.47Å | 1.53Å | |
| C11 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C08 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.48Å | 1.52Å | |
| C07 | O15 | doub | 1.22Å | 1.19Å | |
| C07 | N06 | sing | 1.35Å | 1.45Å | |
| N06 | C05 | sing | 1.40Å | 1.45Å | |
| C05 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| C05 | N16 | doub | 1.31Å | 1.34Å | Aromatic |
| C04 | C03 | doub | 1.35Å | 1.37Å | Aromatic |
| N16 | N02 | sing | 1.40Å | 1.37Å | Aromatic |
| C03 | N02 | sing | 1.35Å | 1.32Å | Aromatic |
| N02 | C01 | sing | 1.46Å | 1.45Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| N06 | H13 | sing | 0.97Å | 1.00Å | |
| O1 | C14 | doub | 1.21Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C11 | C10 | 119.8° | 120.0° |
| C14 | C11 | C12 | 119.7° | 120.0° |
| C11 | C14 | H10 | 117.7° | 120.0° |
| C11 | C14 | O1 | 124.6° | 120.0° |
| C10 | C11 | C12 | 120.4° | 120.0° |
| C11 | C10 | C09 | 119.6° | 119.9° |
| C11 | C10 | H7 | 120.2° | 120.1° |
| C11 | C12 | C13 | 120.0° | 120.0° |
| C11 | C12 | H8 | 120.0° | 120.0° |
| C10 | C09 | C08 | 119.8° | 120.0° |
| C10 | C09 | H6 | 120.1° | 120.0° |
| C09 | C10 | H7 | 120.2° | 120.0° |
| C12 | C13 | C08 | 119.3° | 120.0° |
| C13 | C12 | H8 | 120.0° | 120.0° |
| C12 | C13 | H9 | 120.3° | 120.0° |
| C09 | C08 | C13 | 120.8° | 120.1° |
| C09 | C08 | C07 | 118.5° | 119.9° |
| C08 | C09 | H6 | 120.1° | 120.0° |
| C13 | C08 | C07 | 120.6° | 120.0° |
| C08 | C13 | H9 | 120.4° | 120.0° |
| C08 | C07 | O15 | 123.2° | 120.0° |
| C08 | C07 | N06 | 112.7° | 120.0° |
| O15 | C07 | N06 | 124.0° | 120.0° |
| C07 | N06 | C05 | 127.8° | 120.0° |
| C07 | N06 | H13 | 116.1° | 120.0° |
| N06 | C05 | C04 | 129.1° | 126.0° |
| N06 | C05 | N16 | 122.8° | 126.0° |
| C05 | N06 | H13 | 116.1° | 120.0° |
| C04 | C05 | N16 | 108.0° | 108.0° |
| C05 | C04 | C03 | 106.7° | 107.9° |
| C05 | C04 | H5 | 126.6° | 126.0° |
| C05 | N16 | N02 | 107.6° | 108.2° |
| C04 | C03 | N02 | 108.2° | 107.9° |
| C04 | C03 | H4 | 125.9° | 126.0° |
| C03 | C04 | H5 | 126.6° | 126.1° |
| N16 | N02 | C03 | 109.4° | 108.1° |
| N16 | N02 | C01 | 124.6° | 125.9° |
| C03 | N02 | C01 | 126.0° | 126.0° |
| N02 | C03 | H4 | 125.9° | 126.1° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H10 | C14 | O1 | 117.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C11 | C10 | C12 | 179.9° | 180.0° |
| C14 | C11 | C10 | C09 | 179.9° | 180.0° |
| C14 | C11 | C12 | C13 | 179.7° | 179.8° |
| C14 | C11 | C10 | H7 | 0.1° | 0.0° |
| C14 | C11 | C12 | H8 | 0.3° | 0.0° |
| C11 | C14 | H10 | O1 | 180.0° | 180.0° |
| C11 | C10 | C09 | H7 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.4° | 0.3° |
| C11 | C10 | C09 | C08 | 1.2° | 0.0° |
| C11 | C10 | C09 | H6 | 178.8° | 180.0° |
| C10 | C11 | C12 | H8 | 179.6° | 180.0° |
| C10 | C11 | C14 | H10 | 158.9° | 180.0° |
| C10 | C11 | C14 | O1 | 21.1° | 0.0° |
| C12 | C11 | C10 | C09 | 0.0° | 0.0° |
| C11 | C12 | C13 | H8 | 180.0° | 179.7° |
| C11 | C12 | C13 | C08 | 0.5° | 0.6° |
| C12 | C11 | C10 | H7 | 180.0° | 180.0° |
| C11 | C12 | C13 | H9 | 179.5° | 180.0° |
| C12 | C11 | C14 | H10 | 21.0° | 0.0° |
| C12 | C11 | C14 | O1 | 159.0° | 180.0° |
| C10 | C09 | C08 | H6 | 180.0° | 180.0° |
| C10 | C09 | C08 | C13 | 2.1° | 0.3° |
| C10 | C09 | C08 | C07 | 178.6° | 180.0° |
| C12 | C13 | C08 | C09 | 1.8° | 0.6° |
| C12 | C13 | C08 | H9 | 180.0° | 179.4° |
| C12 | C13 | C08 | C07 | 178.1° | 179.7° |
| C09 | C08 | C13 | C07 | 176.4° | 179.7° |
| C09 | C08 | C07 | O15 | 119.9° | 0.0° |
| C09 | C08 | C07 | N06 | 60.2° | 179.9° |
| C08 | C09 | C10 | H7 | 178.8° | 180.0° |
| C09 | C08 | C13 | H9 | 178.2° | 180.0° |
| C13 | C08 | C07 | O15 | 63.6° | 179.7° |
| C13 | C08 | C07 | N06 | 116.3° | 0.3° |
| C13 | C08 | C09 | H6 | 177.9° | 179.7° |
| C08 | C13 | C12 | H8 | 179.5° | 179.7° |
| C08 | C07 | O15 | N06 | 179.9° | 180.0° |
| C08 | C07 | N06 | C05 | 178.7° | 180.0° |
| C07 | C08 | C09 | H6 | 1.4° | 0.0° |
| C07 | C08 | C13 | H9 | 1.9° | 0.3° |
| C08 | C07 | N06 | H13 | 1.3° | 0.1° |
| O15 | C07 | N06 | C05 | 1.1° | 0.0° |
| O15 | C07 | N06 | H13 | 178.9° | 179.9° |
| C07 | N06 | C05 | H13 | 180.0° | 179.9° |
| C07 | N06 | C05 | C04 | 16.7° | 0.0° |
| C07 | N06 | C05 | N16 | 163.0° | 179.9° |
| N06 | C05 | C04 | N16 | 179.8° | 180.0° |
| N06 | C05 | C04 | C03 | 179.6° | 180.0° |
| N06 | C05 | N16 | N02 | 179.8° | 180.0° |
| N06 | C05 | C04 | H5 | 0.4° | 0.0° |
| C05 | C04 | C03 | H5 | 180.0° | 180.0° |
| C04 | C05 | N16 | N02 | 0.0° | 0.0° |
| C05 | C04 | C03 | N02 | 0.4° | 0.0° |
| C05 | C04 | C03 | H4 | 179.6° | 179.7° |
| C04 | C05 | N06 | H13 | 163.3° | 179.9° |
| N16 | C05 | C04 | C03 | 0.2° | 0.0° |
| C05 | N16 | N02 | C03 | 0.3° | 0.0° |
| C05 | N16 | N02 | C01 | 179.9° | 179.7° |
| N16 | C05 | C04 | H5 | 179.8° | 180.0° |
| N16 | C05 | N06 | H13 | 17.0° | 0.0° |
| C04 | C03 | N02 | N16 | 0.4° | 0.0° |
| C04 | C03 | N02 | H4 | 180.0° | 179.7° |
| C04 | C03 | N02 | C01 | 179.8° | 179.7° |
| N16 | N02 | C03 | C01 | 179.8° | 179.7° |
| N16 | N02 | C01 | H1 | 0.0° | 90.4° |
| N16 | N02 | C01 | H2 | 120.0° | 29.6° |
| N16 | N02 | C01 | H3 | 120.0° | 149.7° |
| N16 | N02 | C03 | H4 | 179.6° | 179.7° |
| C03 | N02 | C01 | H1 | 179.8° | 90.0° |
| C03 | N02 | C01 | H2 | 59.8° | 150.0° |
| C03 | N02 | C01 | H3 | 60.2° | 29.9° |
| N02 | C03 | C04 | H5 | 179.6° | 180.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.1° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | N02 | C03 | H4 | 0.2° | 0.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H4 | C03 | C04 | H5 | 0.4° | 0.3° |
| H6 | C09 | C10 | H7 | 1.2° | 0.1° |
| H8 | C12 | C13 | H9 | 0.5° | 0.3° |
