VS0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| O30 | C19 | doub | 1.22Å | 1.22Å | |
| C1 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C19 | sing | 1.48Å | 1.50Å | |
| C15 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | N29 | sing | 1.35Å | 1.33Å | |
| C3 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| N29 | C16 | sing | 1.40Å | 1.40Å | |
| C16 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C21 | sing | 1.55Å | 1.52Å | |
| C23 | C24 | sing | 1.54Å | 1.52Å | |
| C13 | C14 | sing | 1.48Å | 1.49Å | |
| C13 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C9 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C10 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | C12 | sing | 1.47Å | 1.39Å | Aromatic |
| C10 | N27 | sing | 1.37Å | 1.34Å | Aromatic |
| N28 | C18 | sing | 1.38Å | 1.36Å | |
| C12 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C17 | doub | 1.41Å | 1.39Å | Aromatic |
| N27 | C24 | sing | 1.47Å | 1.48Å | |
| N27 | C17 | sing | 1.37Å | 1.34Å | Aromatic |
| C24 | C22 | sing | 1.54Å | 1.52Å | |
| C18 | N26 | doub | 1.33Å | 1.35Å | Aromatic |
| C17 | N25 | sing | 1.33Å | 1.35Å | Aromatic |
| N26 | C11 | sing | 1.32Å | 1.34Å | Aromatic |
| N25 | C11 | doub | 1.32Å | 1.34Å | Aromatic |
| C20 | C22 | sing | 1.54Å | 1.52Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| N29 | H6 | sing | 0.97Å | 1.00Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| N28 | H11 | sing | 0.97Å | 1.00Å | |
| N28 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C2 | C1 | 120.1° | 120.2° |
| C2 | C6 | C15 | 119.9° | 119.8° |
| C2 | C6 | H1 | 120.1° | 120.1° |
| C6 | C2 | H2 | 119.9° | 119.9° |
| C2 | C1 | C3 | 120.0° | 120.3° |
| C1 | C2 | H2 | 119.9° | 119.9° |
| C2 | C1 | H3 | 120.0° | 119.8° |
| C6 | C15 | C19 | 121.7° | 120.1° |
| C6 | C15 | C7 | 119.9° | 119.7° |
| C15 | C6 | H1 | 120.0° | 120.1° |
| O30 | C19 | C15 | 120.8° | 120.0° |
| O30 | C19 | N29 | 123.2° | 120.0° |
| C1 | C3 | C7 | 119.8° | 120.2° |
| C3 | C1 | H3 | 120.0° | 119.9° |
| C1 | C3 | H4 | 120.1° | 119.9° |
| C19 | C15 | C7 | 118.5° | 120.2° |
| C15 | C19 | N29 | 116.0° | 120.0° |
| C15 | C7 | C3 | 120.3° | 119.8° |
| C15 | C7 | H5 | 119.8° | 120.0° |
| C19 | N29 | C16 | 125.1° | 120.0° |
| C19 | N29 | H6 | 117.5° | 120.0° |
| C7 | C3 | H4 | 120.1° | 119.9° |
| C3 | C7 | H5 | 119.9° | 120.2° |
| C4 | C8 | C16 | 120.0° | 120.1° |
| C8 | C4 | C13 | 120.2° | 119.9° |
| C4 | C8 | H7 | 120.0° | 119.9° |
| C8 | C4 | H8 | 119.9° | 120.0° |
| C8 | C16 | N29 | 120.5° | 120.0° |
| C8 | C16 | C9 | 119.9° | 120.1° |
| C16 | C8 | H7 | 120.0° | 119.9° |
| C4 | C13 | C14 | 120.0° | 120.0° |
| C4 | C13 | C5 | 119.6° | 119.9° |
| C13 | C4 | H8 | 119.9° | 120.1° |
| N29 | C16 | C9 | 119.5° | 119.9° |
| C16 | N29 | H6 | 117.5° | 120.0° |
| C16 | C9 | C5 | 120.0° | 120.0° |
| C16 | C9 | H10 | 120.0° | 120.0° |
| C21 | C23 | C24 | 108.0° | 104.2° |
| C23 | C21 | C20 | 107.0° | 102.8° |
| C21 | C23 | H16 | 109.8° | 110.5° |
| C21 | C23 | H17 | 109.8° | 110.5° |
| C23 | C21 | H18 | 110.1° | 110.7° |
| C23 | C21 | H19 | 110.1° | 110.7° |
| C23 | C24 | N27 | 109.9° | 110.0° |
| C23 | C24 | C22 | 107.3° | 106.6° |
| C23 | C24 | H15 | 109.8° | 110.1° |
| C24 | C23 | H16 | 109.8° | 110.5° |
| C24 | C23 | H17 | 109.8° | 110.5° |
| C14 | C13 | C5 | 120.3° | 120.1° |
| C13 | C14 | C10 | 123.2° | 126.7° |
| C13 | C14 | C12 | 130.5° | 126.8° |
| C13 | C5 | C9 | 120.3° | 119.9° |
| C13 | C5 | H9 | 119.9° | 120.0° |
| C21 | C20 | C22 | 107.0° | 104.2° |
| C20 | C21 | H18 | 110.1° | 110.8° |
| C20 | C21 | H19 | 110.1° | 110.8° |
| C21 | C20 | H20 | 110.1° | 110.5° |
| C21 | C20 | H21 | 110.1° | 110.5° |
| C9 | C5 | H9 | 119.9° | 120.0° |
| C5 | C9 | H10 | 120.0° | 120.0° |
| C10 | C14 | C12 | 106.3° | 106.5° |
| C14 | C10 | N27 | 109.4° | 109.6° |
| C14 | C10 | H14 | 125.3° | 125.2° |
| C14 | C12 | C18 | 134.7° | 135.1° |
| C14 | C12 | C17 | 106.6° | 106.2° |
| C10 | N27 | C24 | 124.1° | 124.9° |
| C10 | N27 | C17 | 109.0° | 110.3° |
| N27 | C10 | H14 | 125.3° | 125.2° |
| N28 | C18 | C12 | 121.3° | 120.9° |
| N28 | C18 | N26 | 119.4° | 120.8° |
| C18 | N28 | H11 | 109.5° | 120.0° |
| C18 | N28 | H12 | 109.4° | 120.1° |
| C18 | C12 | C17 | 118.7° | 118.7° |
| C12 | C18 | N26 | 119.3° | 118.4° |
| C12 | C17 | N27 | 108.6° | 107.4° |
| C12 | C17 | N25 | 119.5° | 118.5° |
| C24 | N27 | C17 | 126.9° | 124.8° |
| N27 | C24 | C22 | 109.5° | 110.0° |
| N27 | C24 | H15 | 110.4° | 110.0° |
| N27 | C17 | N25 | 131.9° | 134.1° |
| C24 | C22 | C20 | 107.7° | 106.6° |
| C22 | C24 | H15 | 109.9° | 110.1° |
| C24 | C22 | H22 | 109.9° | 110.1° |
| C24 | C22 | H23 | 109.9° | 110.0° |
| C18 | N26 | C11 | 120.8° | 121.0° |
| C17 | N25 | C11 | 120.4° | 120.7° |
| N26 | C11 | N25 | 121.3° | 122.7° |
| N26 | C11 | H13 | 119.4° | 118.6° |
| N25 | C11 | H13 | 119.3° | 118.7° |
| C22 | C20 | H20 | 110.1° | 110.5° |
| C22 | C20 | H21 | 110.1° | 110.5° |
| C20 | C22 | H22 | 109.9° | 110.1° |
| C20 | C22 | H23 | 109.9° | 110.0° |
| H11 | N28 | H12 | 109.4° | 120.0° |
| H16 | C23 | H17 | 109.5° | 110.5° |
| H18 | C21 | H19 | 109.5° | 110.8° |
| H20 | C20 | H21 | 109.5° | 110.6° |
| H22 | C22 | H23 | 109.4° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C2 | C1 | H2 | 180.0° | 180.0° |
| C2 | C6 | C15 | H1 | 180.0° | 180.0° |
| C6 | C2 | C1 | C3 | 0.1° | 0.1° |
| C2 | C6 | C15 | C19 | 179.6° | 180.0° |
| C2 | C6 | C15 | C7 | 0.3° | 0.3° |
| C6 | C2 | C1 | H3 | 179.9° | 180.0° |
| C1 | C2 | C6 | C15 | 0.2° | 0.0° |
| C2 | C1 | C3 | H3 | 180.0° | 179.9° |
| C2 | C1 | C3 | C7 | 0.1° | 0.3° |
| C1 | C2 | C6 | H1 | 179.8° | 180.0° |
| C2 | C1 | C3 | H4 | 179.9° | 180.0° |
| C6 | C15 | C19 | O30 | 4.3° | 179.7° |
| C6 | C15 | C19 | C7 | 179.3° | 179.7° |
| C6 | C15 | C19 | N29 | 175.1° | 0.6° |
| C6 | C15 | C7 | C3 | 0.3° | 0.5° |
| C15 | C6 | C2 | H2 | 179.8° | 180.0° |
| C6 | C15 | C7 | H5 | 179.7° | 179.7° |
| O30 | C19 | C15 | N29 | 179.4° | 179.6° |
| O30 | C19 | C15 | C7 | 175.0° | 0.0° |
| O30 | C19 | N29 | C16 | 1.9° | 4.6° |
| O30 | C19 | N29 | H6 | 178.1° | 175.4° |
| C1 | C3 | C7 | C15 | 0.2° | 0.5° |
| C1 | C3 | C7 | H4 | 180.0° | 179.7° |
| C3 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C3 | C7 | H5 | 179.8° | 179.7° |
| C19 | C15 | C7 | C3 | 179.6° | 179.8° |
| C15 | C19 | N29 | C16 | 178.8° | 175.1° |
| C19 | C15 | C6 | H1 | 0.4° | 0.1° |
| C19 | C15 | C7 | H5 | 0.4° | 0.0° |
| C15 | C19 | N29 | H6 | 1.2° | 5.0° |
| C7 | C15 | C19 | N29 | 5.6° | 179.7° |
| C15 | C7 | C3 | H5 | 180.0° | 179.8° |
| C7 | C15 | C6 | H1 | 179.7° | 179.8° |
| C15 | C7 | C3 | H4 | 179.8° | 179.8° |
| C19 | N29 | C16 | C8 | 60.7° | 35.3° |
| C19 | N29 | C16 | H6 | 180.0° | 179.9° |
| C19 | N29 | C16 | C9 | 122.5° | 145.0° |
| C7 | C3 | C1 | H3 | 179.9° | 179.8° |
| C4 | C8 | C16 | H7 | 180.0° | 180.0° |
| C8 | C4 | C13 | H8 | 180.0° | 179.9° |
| C4 | C8 | C16 | N29 | 178.6° | 180.0° |
| C4 | C8 | C16 | C9 | 1.8° | 0.3° |
| C8 | C4 | C13 | C14 | 179.0° | 180.0° |
| C8 | C4 | C13 | C5 | 0.9° | 0.0° |
| C16 | C8 | C4 | C13 | 0.4° | 0.0° |
| C8 | C16 | N29 | C9 | 176.8° | 179.7° |
| C8 | C16 | C9 | C5 | 1.9° | 0.6° |
| C8 | C16 | N29 | H6 | 119.3° | 144.6° |
| C16 | C8 | C4 | H8 | 179.6° | 179.9° |
| C8 | C16 | C9 | H10 | 178.1° | 179.7° |
| C4 | C13 | C14 | C5 | 178.0° | 180.0° |
| C4 | C13 | C5 | C9 | 0.8° | 0.2° |
| C4 | C13 | C14 | C10 | 49.2° | 50.0° |
| C4 | C13 | C14 | C12 | 131.3° | 130.3° |
| C13 | C4 | C8 | H7 | 179.7° | 180.0° |
| C4 | C13 | C5 | H9 | 179.2° | 180.0° |
| N29 | C16 | C9 | C5 | 178.8° | 179.7° |
| N29 | C16 | C8 | H7 | 1.4° | 0.0° |
| N29 | C16 | C9 | H10 | 1.2° | 0.0° |
| C16 | C9 | C5 | C13 | 0.6° | 0.5° |
| C16 | C9 | C5 | H10 | 180.0° | 179.8° |
| C9 | C16 | N29 | H6 | 57.5° | 35.1° |
| C9 | C16 | C8 | H7 | 178.2° | 179.7° |
| C16 | C9 | C5 | H9 | 179.4° | 179.7° |
| C21 | C23 | C24 | H16 | 119.8° | 118.7° |
| C21 | C23 | C24 | H17 | 119.8° | 118.7° |
| C23 | C21 | C20 | H18 | 119.6° | 118.3° |
| C23 | C21 | C20 | H19 | 119.6° | 118.3° |
| C21 | C23 | C24 | N27 | 121.3° | 95.7° |
| C21 | C23 | C24 | C22 | 2.4° | 23.6° |
| C23 | C21 | C20 | C22 | 17.3° | 37.9° |
| C21 | C23 | C24 | H15 | 117.0° | 143.0° |
| C21 | C23 | H16 | H17 | 120.7° | 122.6° |
| C23 | C21 | H18 | H19 | 121.2° | 123.3° |
| C23 | C21 | C20 | H20 | 136.9° | 80.7° |
| C23 | C21 | C20 | H21 | 102.3° | 156.6° |
| C24 | C23 | C21 | C20 | 12.2° | 37.9° |
| C23 | C24 | N27 | C10 | 42.2° | 56.9° |
| C23 | C24 | N27 | C22 | 117.6° | 117.1° |
| C23 | C24 | N27 | H15 | 121.3° | 121.4° |
| C23 | C24 | N27 | C17 | 136.5° | 122.9° |
| C23 | C24 | C22 | H15 | 119.3° | 119.4° |
| C23 | C24 | C22 | C20 | 8.4° | 0.0° |
| C24 | C23 | H16 | H17 | 120.6° | 122.6° |
| C24 | C23 | C21 | H18 | 107.4° | 156.3° |
| C24 | C23 | C21 | H19 | 131.8° | 80.4° |
| C23 | C24 | C22 | H22 | 128.2° | 119.3° |
| C23 | C24 | C22 | H23 | 111.4° | 119.3° |
| C14 | C13 | C5 | C9 | 178.8° | 179.8° |
| C13 | C14 | C10 | C12 | 179.7° | 179.8° |
| C13 | C14 | C10 | N27 | 179.1° | 179.8° |
| C13 | C14 | C12 | C18 | 0.8° | 0.1° |
| C13 | C14 | C12 | C17 | 179.5° | 180.0° |
| C14 | C13 | C4 | H8 | 1.0° | 0.1° |
| C14 | C13 | C5 | H9 | 1.1° | 0.0° |
| C13 | C14 | C10 | H14 | 0.9° | 0.0° |
| C13 | C5 | C9 | H9 | 180.0° | 179.8° |
| C5 | C13 | C14 | C10 | 128.9° | 130.0° |
| C5 | C13 | C14 | C12 | 50.7° | 49.7° |
| C5 | C13 | C4 | H8 | 179.1° | 180.0° |
| C13 | C5 | C9 | H10 | 179.4° | 179.7° |
| C21 | C20 | C22 | C24 | 16.0° | 23.6° |
| C21 | C20 | C22 | H20 | 119.6° | 118.7° |
| C21 | C20 | C22 | H21 | 119.6° | 118.7° |
| C20 | C21 | C23 | H16 | 107.6° | 80.7° |
| C20 | C21 | C23 | H17 | 132.0° | 156.6° |
| C20 | C21 | H18 | H19 | 121.2° | 123.4° |
| C21 | C20 | H20 | H21 | 121.1° | 122.6° |
| C21 | C20 | C22 | H22 | 135.7° | 95.7° |
| C21 | C20 | C22 | H23 | 103.8° | 142.9° |
| C14 | C10 | N27 | H14 | 180.0° | 179.9° |
| C10 | C14 | C12 | C18 | 179.6° | 179.7° |
| C10 | C14 | C12 | C17 | 0.1° | 0.2° |
| C14 | C10 | N27 | C24 | 179.7° | 179.8° |
| C14 | C10 | N27 | C17 | 0.8° | 0.4° |
| C12 | C14 | C10 | N27 | 0.6° | 0.4° |
| C14 | C12 | C18 | N28 | 0.2° | 0.1° |
| C14 | C12 | C18 | C17 | 179.7° | 179.9° |
| C14 | C12 | C17 | N27 | 0.4° | 0.0° |
| C14 | C12 | C18 | N26 | 179.8° | 180.0° |
| C14 | C12 | C17 | N25 | 179.9° | 180.0° |
| C12 | C14 | C10 | H14 | 179.4° | 179.7° |
| C10 | N27 | C17 | C12 | 0.7° | 0.3° |
| C10 | N27 | C24 | C17 | 178.6° | 179.7° |
| C10 | N27 | C24 | C22 | 75.4° | 60.2° |
| C10 | N27 | C17 | N25 | 179.5° | 179.7° |
| C10 | N27 | C24 | H15 | 163.5° | 178.3° |
| N28 | C18 | C12 | N26 | 180.0° | 179.9° |
| N28 | C18 | C12 | C17 | 179.8° | 180.0° |
| N28 | C18 | N26 | C11 | 180.0° | 180.0° |
| C18 | N28 | H11 | H12 | 120.0° | 180.0° |
| C18 | C12 | C17 | N27 | 179.9° | 180.0° |
| C18 | C12 | C17 | N25 | 0.1° | 0.0° |
| C12 | C18 | N26 | C11 | 0.0° | 0.1° |
| C12 | C18 | N28 | H11 | 180.0° | 0.1° |
| C12 | C18 | N28 | H12 | 60.1° | 180.0° |
| C12 | C17 | N27 | C24 | 179.5° | 180.0° |
| C12 | C17 | N27 | N25 | 179.7° | 180.0° |
| C17 | C12 | C18 | N26 | 0.1° | 0.1° |
| C12 | C17 | N25 | C11 | 0.0° | 0.1° |
| N27 | C24 | C22 | H15 | 121.4° | 121.4° |
| C24 | N27 | C17 | N25 | 0.7° | 0.0° |
| N27 | C24 | C22 | C20 | 110.8° | 119.3° |
| C24 | N27 | C10 | H14 | 0.3° | 0.1° |
| N27 | C24 | C23 | H16 | 1.5° | 145.6° |
| N27 | C24 | C23 | H17 | 118.9° | 23.0° |
| N27 | C24 | C22 | H22 | 8.9° | 0.1° |
| N27 | C24 | C22 | H23 | 129.4° | 121.5° |
| C17 | N27 | C24 | C22 | 106.0° | 120.0° |
| N27 | C17 | N25 | C11 | 179.7° | 179.9° |
| C17 | N27 | C10 | H14 | 179.2° | 179.7° |
| C17 | N27 | C24 | H15 | 15.2° | 1.5° |
| C24 | C22 | C20 | H22 | 119.7° | 119.4° |
| C24 | C22 | C20 | H23 | 119.7° | 119.3° |
| C22 | C24 | C23 | H16 | 117.4° | 95.1° |
| C22 | C24 | C23 | H17 | 122.2° | 142.2° |
| C24 | C22 | C20 | H20 | 135.6° | 95.0° |
| C24 | C22 | C20 | H21 | 103.6° | 142.3° |
| C24 | C22 | H22 | H23 | 120.8° | 121.4° |
| C18 | N26 | C11 | N25 | 0.2° | 0.1° |
| N26 | C18 | N28 | H11 | 0.0° | 180.0° |
| N26 | C18 | N28 | H12 | 120.0° | 0.0° |
| C18 | N26 | C11 | H13 | 179.8° | 180.0° |
| C17 | N25 | C11 | N26 | 0.2° | 0.1° |
| C17 | N25 | C11 | H13 | 179.8° | 180.0° |
| N26 | C11 | N25 | H13 | 180.0° | 179.9° |
| C20 | C22 | C24 | H15 | 127.7° | 119.3° |
| C22 | C20 | C21 | H18 | 102.3° | 156.2° |
| C22 | C20 | C21 | H19 | 136.9° | 80.4° |
| C22 | C20 | H20 | H21 | 121.1° | 122.6° |
| C20 | C22 | H22 | H23 | 120.8° | 121.4° |
| H1 | C6 | C2 | H2 | 0.2° | 0.0° |
| H2 | C2 | C1 | H3 | 0.1° | 0.1° |
| H3 | C1 | C3 | H4 | 0.1° | 0.1° |
| H4 | C3 | C7 | H5 | 0.2° | 0.0° |
| H7 | C8 | C4 | H8 | 0.4° | 0.1° |
| H9 | C5 | C9 | H10 | 0.6° | 0.1° |
| H15 | C24 | C23 | H16 | 123.2° | 24.3° |
| H15 | C24 | C23 | H17 | 2.8° | 98.3° |
| H15 | C24 | C22 | H22 | 112.5° | 121.3° |
| H15 | C24 | C22 | H23 | 8.0° | 0.1° |
| H16 | C23 | C21 | H18 | 132.8° | 37.6° |
| H16 | C23 | C21 | H19 | 12.1° | 160.9° |
| H17 | C23 | C21 | H18 | 12.4° | 85.0° |
| H17 | C23 | C21 | H19 | 108.4° | 38.3° |
| H18 | C21 | C20 | H20 | 17.3° | 37.6° |
| H18 | C21 | C20 | H21 | 138.1° | 85.1° |
| H19 | C21 | C20 | H20 | 103.4° | 160.9° |
| H19 | C21 | C20 | H21 | 17.3° | 38.3° |
| H20 | C20 | C22 | H22 | 104.7° | 145.6° |
| H20 | C20 | C22 | H23 | 15.8° | 24.3° |
| H21 | C20 | C22 | H22 | 16.1° | 22.9° |
| H21 | C20 | C22 | H23 | 136.6° | 98.4° |
