4VT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C18 | trip | 1.14Å | 1.16Å | |
| C18 | C14 | sing | 1.43Å | 1.43Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| N12 | C13 | sing | 1.37Å | 1.35Å | |
| N12 | C4 | sing | 1.36Å | 1.38Å | |
| C15 | N16 | doub | 1.30Å | 1.34Å | Aromatic |
| C13 | N17 | sing | 1.36Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.49Å | |
| C6 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.35Å | 1.34Å | |
| N16 | N17 | sing | 1.40Å | 1.35Å | Aromatic |
| N17 | C2 | sing | 1.35Å | 1.38Å | |
| C3 | C2 | sing | 1.41Å | 1.44Å | |
| C2 | O1 | doub | 1.22Å | 1.22Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| N12 | H9 | sing | 0.97Å | 1.00Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C18 | C14 | 177.1° | 180.0° |
| C18 | C14 | C15 | 128.4° | 126.5° |
| C18 | C14 | C13 | 126.4° | 126.5° |
| C7 | C8 | C9 | 120.2° | 120.0° |
| C8 | C7 | C6 | 119.7° | 120.0° |
| C8 | C7 | H4 | 120.1° | 120.0° |
| C7 | C8 | H5 | 119.9° | 120.0° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C9 | C8 | H5 | 119.9° | 120.0° |
| C8 | C9 | H6 | 120.0° | 120.1° |
| C7 | C6 | C5 | 120.2° | 120.0° |
| C7 | C6 | C11 | 120.1° | 120.0° |
| C6 | C7 | H4 | 120.2° | 120.0° |
| C15 | C14 | C13 | 105.2° | 107.0° |
| C14 | C15 | N16 | 111.8° | 108.5° |
| C14 | C15 | H10 | 124.1° | 125.7° |
| C14 | C13 | N12 | 135.7° | 132.4° |
| C14 | C13 | N17 | 105.9° | 107.1° |
| C9 | C10 | C11 | 119.7° | 120.0° |
| C10 | C9 | H6 | 120.0° | 119.9° |
| C9 | C10 | H7 | 120.2° | 120.0° |
| C13 | N12 | C4 | 121.0° | 120.2° |
| N12 | C13 | N17 | 118.3° | 120.5° |
| C13 | N12 | H9 | 119.5° | 119.9° |
| N12 | C4 | C5 | 117.4° | 120.1° |
| N12 | C4 | C3 | 119.5° | 119.9° |
| C4 | N12 | H9 | 119.5° | 119.9° |
| C15 | N16 | N17 | 103.9° | 109.3° |
| N16 | C15 | H10 | 124.1° | 125.8° |
| C13 | N17 | N16 | 113.1° | 108.1° |
| C13 | N17 | C2 | 125.2° | 119.9° |
| C5 | C6 | C11 | 119.7° | 120.0° |
| C6 | C5 | C4 | 107.0° | 109.5° |
| C6 | C5 | H2 | 110.1° | 109.5° |
| C6 | C5 | H3 | 110.1° | 109.4° |
| C6 | C11 | C10 | 120.3° | 120.0° |
| C6 | C11 | H8 | 119.8° | 120.0° |
| C5 | C4 | C3 | 123.0° | 120.1° |
| C4 | C5 | H2 | 110.1° | 109.5° |
| C4 | C5 | H3 | 110.1° | 109.5° |
| C11 | C10 | H7 | 120.2° | 120.0° |
| C10 | C11 | H8 | 119.9° | 120.0° |
| C4 | C3 | C2 | 122.6° | 119.7° |
| C4 | C3 | H1 | 118.7° | 120.2° |
| N16 | N17 | C2 | 121.7° | 132.0° |
| N17 | C2 | C3 | 113.3° | 119.8° |
| N17 | C2 | O1 | 119.4° | 120.0° |
| C3 | C2 | O1 | 127.3° | 120.2° |
| C2 | C3 | H1 | 118.7° | 120.1° |
| H2 | C5 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C18 | C14 | C15 | 169.1° | 77.1° |
| N19 | C18 | C14 | C13 | 11.8° | 102.8° |
| C18 | C14 | C15 | C13 | 179.2° | 180.0° |
| C18 | C14 | C13 | N12 | 1.1° | 0.1° |
| C18 | C14 | C15 | N16 | 179.7° | 180.0° |
| C18 | C14 | C13 | N17 | 179.7° | 179.8° |
| C18 | C14 | C15 | H10 | 0.4° | 0.0° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C8 | C7 | C6 | C5 | 178.5° | 180.0° |
| C8 | C7 | C6 | C11 | 0.7° | 0.2° |
| C7 | C8 | C9 | H6 | 179.8° | 180.0° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C8 | C9 | C10 | H6 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.2° |
| C9 | C8 | C7 | H4 | 179.8° | 180.0° |
| C8 | C9 | C10 | H7 | 180.0° | 180.0° |
| C7 | C6 | C5 | C11 | 177.8° | 179.8° |
| C7 | C6 | C5 | C4 | 87.4° | 89.8° |
| C7 | C6 | C11 | C10 | 0.9° | 0.5° |
| C7 | C6 | C5 | H2 | 32.2° | 150.2° |
| C7 | C6 | C5 | H3 | 153.0° | 30.2° |
| C6 | C7 | C8 | H5 | 179.8° | 180.0° |
| C7 | C6 | C11 | H8 | 179.1° | 179.8° |
| C15 | C14 | C13 | N12 | 179.7° | 180.0° |
| C14 | C15 | N16 | H10 | 180.0° | 179.9° |
| C15 | C14 | C13 | N17 | 0.5° | 0.2° |
| C14 | C15 | N16 | N17 | 0.2° | 0.2° |
| C14 | C13 | N12 | N17 | 179.1° | 179.7° |
| C14 | C13 | N12 | C4 | 179.8° | 180.0° |
| C13 | C14 | C15 | N16 | 0.5° | 0.0° |
| C14 | C13 | N17 | N16 | 0.4° | 0.4° |
| C14 | C13 | N17 | C2 | 179.6° | 179.7° |
| C14 | C13 | N12 | H9 | 0.1° | 0.2° |
| C13 | C14 | C15 | H10 | 179.5° | 179.9° |
| C9 | C10 | C11 | C6 | 0.6° | 0.5° |
| C9 | C10 | C11 | H7 | 180.0° | 179.8° |
| C10 | C9 | C8 | H5 | 179.8° | 180.0° |
| C9 | C10 | C11 | H8 | 179.4° | 179.8° |
| C13 | N12 | C4 | H9 | 180.0° | 179.8° |
| C13 | N12 | C4 | C5 | 178.7° | 180.0° |
| C13 | N12 | C4 | C3 | 0.9° | 0.0° |
| N12 | C13 | N17 | N16 | 179.8° | 179.9° |
| N12 | C13 | N17 | C2 | 0.3° | 0.5° |
| C4 | N12 | C13 | N17 | 0.7° | 0.3° |
| N12 | C4 | C5 | C6 | 84.0° | 85.0° |
| N12 | C4 | C5 | C3 | 177.7° | 180.0° |
| N12 | C4 | C3 | C2 | 0.7° | 0.0° |
| N12 | C4 | C3 | H1 | 179.3° | 180.0° |
| N12 | C4 | C5 | H2 | 35.6° | 35.0° |
| N12 | C4 | C5 | H3 | 156.4° | 155.0° |
| C15 | N16 | N17 | C13 | 0.1° | 0.4° |
| C15 | N16 | N17 | C2 | 179.9° | 179.6° |
| C13 | N17 | N16 | C2 | 180.0° | 179.3° |
| C13 | N17 | C2 | C3 | 0.0° | 0.5° |
| C13 | N17 | C2 | O1 | 179.5° | 179.8° |
| N17 | C13 | N12 | H9 | 179.3° | 180.0° |
| C6 | C5 | C4 | H2 | 119.6° | 120.0° |
| C6 | C5 | C4 | H3 | 119.6° | 120.0° |
| C5 | C6 | C11 | C10 | 178.7° | 179.8° |
| C6 | C5 | C4 | C3 | 93.7° | 95.0° |
| C6 | C5 | H2 | H3 | 121.1° | 120.0° |
| C5 | C6 | C7 | H4 | 1.5° | 0.0° |
| C5 | C6 | C11 | H8 | 1.3° | 0.0° |
| C11 | C6 | C5 | C4 | 90.4° | 90.0° |
| C6 | C11 | C10 | H8 | 180.0° | 179.7° |
| C11 | C6 | C5 | H2 | 150.0° | 30.0° |
| C11 | C6 | C5 | H3 | 29.3° | 150.0° |
| C11 | C6 | C7 | H4 | 179.3° | 179.7° |
| C6 | C11 | C10 | H7 | 179.4° | 179.7° |
| C5 | C4 | C3 | C2 | 178.4° | 180.0° |
| C5 | C4 | C3 | H1 | 1.6° | 0.1° |
| C4 | C5 | H2 | H3 | 121.2° | 120.0° |
| C5 | C4 | N12 | H9 | 1.3° | 0.2° |
| C11 | C10 | C9 | H6 | 180.0° | 179.8° |
| C4 | C3 | C2 | N17 | 0.2° | 0.3° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C4 | C3 | C2 | O1 | 179.7° | 180.0° |
| C3 | C4 | C5 | H2 | 146.7° | 145.0° |
| C3 | C4 | C5 | H3 | 25.9° | 25.0° |
| C3 | C4 | N12 | H9 | 179.1° | 179.8° |
| N16 | N17 | C2 | C3 | 180.0° | 179.7° |
| N16 | N17 | C2 | O1 | 0.5° | 0.6° |
| N17 | N16 | C15 | H10 | 179.8° | 179.8° |
| N17 | C2 | C3 | O1 | 179.5° | 179.7° |
| N17 | C2 | C3 | H1 | 179.8° | 179.8° |
| O1 | C2 | C3 | H1 | 0.3° | 0.1° |
| H4 | C7 | C8 | H5 | 0.2° | 0.0° |
| H5 | C8 | C9 | H6 | 0.2° | 0.0° |
| H6 | C9 | C10 | H7 | 0.0° | 0.0° |
| H7 | C10 | C11 | H8 | 0.6° | 0.0° |
