VXJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| N25 | N26 | sing | 1.40Å | 1.36Å | Aromatic |
| N25 | C18 | sing | 1.37Å | 1.33Å | Aromatic |
| N26 | C15 | doub | 1.30Å | 1.34Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.48Å | 1.53Å | |
| C19 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C16 | doub | 1.36Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.35Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.55Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C17 | N12 | sing | 1.47Å | 1.45Å | |
| N12 | C13 | sing | 1.47Å | 1.46Å | |
| N12 | C02 | sing | 1.35Å | 1.45Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| C02 | N03 | sing | 1.35Å | 1.45Å | |
| N03 | C04 | sing | 1.40Å | 1.45Å | |
| C04 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | F09 | sing | 1.35Å | 1.36Å | |
| C08 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | CL07 | sing | 1.74Å | 1.79Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| N03 | H12 | sing | 0.97Å | 1.00Å | |
| C05 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| N25 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 119.9° | 120.1° |
| C21 | C20 | C19 | 120.2° | 119.9° |
| C21 | C20 | H9 | 119.9° | 120.0° |
| C20 | C21 | H10 | 120.1° | 120.0° |
| C21 | C22 | C23 | 119.9° | 120.3° |
| C22 | C21 | H10 | 120.0° | 119.9° |
| C21 | C22 | H11 | 120.0° | 119.9° |
| C20 | C19 | C18 | 119.0° | 120.1° |
| C20 | C19 | C24 | 119.8° | 119.7° |
| C19 | C20 | H9 | 119.9° | 120.1° |
| N26 | N25 | C18 | 107.7° | 107.8° |
| N25 | N26 | C15 | 110.4° | 108.5° |
| N26 | N25 | H16 | 126.1° | 126.1° |
| N25 | C18 | C19 | 124.4° | 126.4° |
| N25 | C18 | C16 | 107.2° | 107.1° |
| C18 | N25 | H16 | 126.2° | 126.1° |
| N26 | C15 | C16 | 107.7° | 108.4° |
| N26 | C15 | C14 | 129.8° | 127.8° |
| C22 | C23 | C24 | 120.2° | 120.1° |
| C23 | C22 | H11 | 120.1° | 119.9° |
| C22 | C23 | H14 | 119.9° | 119.9° |
| C18 | C19 | C24 | 121.2° | 120.2° |
| C19 | C18 | C16 | 128.4° | 126.5° |
| C19 | C24 | C23 | 120.0° | 119.9° |
| C19 | C24 | H15 | 120.0° | 120.1° |
| C18 | C16 | C15 | 107.0° | 108.2° |
| C18 | C16 | C17 | 132.5° | 128.3° |
| C16 | C15 | C14 | 122.6° | 123.8° |
| C15 | C16 | C17 | 120.5° | 123.5° |
| C15 | C14 | C13 | 113.4° | 108.7° |
| C15 | C14 | H5 | 108.5° | 109.6° |
| C15 | C14 | H6 | 108.5° | 109.7° |
| C24 | C23 | H14 | 119.9° | 120.0° |
| C23 | C24 | H15 | 120.0° | 120.1° |
| C16 | C17 | N12 | 111.5° | 107.0° |
| C16 | C17 | H3 | 109.0° | 109.9° |
| C16 | C17 | H4 | 109.0° | 110.0° |
| C14 | C13 | N12 | 112.7° | 109.4° |
| C13 | C14 | H5 | 108.5° | 109.6° |
| C13 | C14 | H6 | 108.5° | 109.6° |
| C14 | C13 | H7 | 108.7° | 109.5° |
| C14 | C13 | H8 | 108.6° | 109.4° |
| C17 | N12 | C13 | 115.0° | 118.6° |
| C17 | N12 | C02 | 121.9° | 120.7° |
| N12 | C17 | H3 | 109.0° | 110.0° |
| N12 | C17 | H4 | 109.0° | 109.9° |
| C13 | N12 | C02 | 122.5° | 120.7° |
| N12 | C13 | H7 | 108.7° | 109.6° |
| N12 | C13 | H8 | 108.7° | 109.5° |
| N12 | C02 | O01 | 120.2° | 120.0° |
| N12 | C02 | N03 | 118.5° | 120.0° |
| C10 | C11 | C04 | 119.8° | 120.0° |
| C11 | C10 | C08 | 120.2° | 120.1° |
| C11 | C10 | H1 | 119.9° | 120.0° |
| C10 | C11 | H2 | 120.1° | 120.0° |
| C11 | C04 | N03 | 121.4° | 120.1° |
| C11 | C04 | C05 | 119.9° | 119.9° |
| C04 | C11 | H2 | 120.1° | 120.0° |
| C10 | C08 | F09 | 119.8° | 120.0° |
| C10 | C08 | C06 | 120.0° | 120.1° |
| C08 | C10 | H1 | 119.9° | 119.9° |
| O01 | C02 | N03 | 121.3° | 120.0° |
| C02 | N03 | C04 | 123.0° | 120.0° |
| C02 | N03 | H12 | 118.5° | 120.0° |
| N03 | C04 | C05 | 118.7° | 120.0° |
| C04 | N03 | H12 | 118.5° | 120.0° |
| C04 | C05 | C06 | 120.4° | 119.9° |
| C04 | C05 | H13 | 119.8° | 120.1° |
| F09 | C08 | C06 | 120.2° | 119.9° |
| C08 | C06 | C05 | 119.8° | 120.0° |
| C08 | C06 | CL07 | 120.7° | 120.0° |
| C05 | C06 | CL07 | 119.6° | 120.0° |
| C06 | C05 | H13 | 119.8° | 120.0° |
| H3 | C17 | H4 | 109.4° | 110.0° |
| H5 | C14 | H6 | 109.5° | 109.7° |
| H7 | C13 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H10 | 180.0° | 179.9° |
| C21 | C20 | C19 | H9 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.0° | 0.0° |
| C21 | C20 | C19 | C18 | 179.7° | 179.9° |
| C21 | C20 | C19 | C24 | 0.2° | 0.2° |
| C20 | C21 | C22 | H11 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.1° |
| C21 | C22 | C23 | H11 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.3° |
| C22 | C21 | C20 | H9 | 179.9° | 179.9° |
| C21 | C22 | C23 | H14 | 179.8° | 180.0° |
| C20 | C19 | C18 | N25 | 30.6° | 135.4° |
| C20 | C19 | C18 | C24 | 179.4° | 179.7° |
| C20 | C19 | C18 | C16 | 149.2° | 44.8° |
| C20 | C19 | C24 | C23 | 0.3° | 0.6° |
| C19 | C20 | C21 | H10 | 179.9° | 180.0° |
| C20 | C19 | C24 | H15 | 179.7° | 179.7° |
| N26 | N25 | C18 | H16 | 180.0° | 179.9° |
| N26 | N25 | C18 | C19 | 179.9° | 179.9° |
| N26 | N25 | C18 | C16 | 0.0° | 0.1° |
| N25 | N26 | C15 | C16 | 0.2° | 0.1° |
| N25 | N26 | C15 | C14 | 179.8° | 179.8° |
| C18 | N25 | N26 | C15 | 0.1° | 0.0° |
| N25 | C18 | C19 | C16 | 179.8° | 179.8° |
| N25 | C18 | C19 | C24 | 148.8° | 44.9° |
| N25 | C18 | C16 | C15 | 0.1° | 0.2° |
| N25 | C18 | C16 | C17 | 179.8° | 179.9° |
| N26 | C15 | C16 | C18 | 0.2° | 0.2° |
| N26 | C15 | C16 | C14 | 179.6° | 180.0° |
| N26 | C15 | C16 | C17 | 180.0° | 179.8° |
| N26 | C15 | C14 | C13 | 179.5° | 162.2° |
| N26 | C15 | C14 | H5 | 58.9° | 78.1° |
| N26 | C15 | C14 | H6 | 59.9° | 42.4° |
| C15 | N26 | N25 | H16 | 179.9° | 179.9° |
| C22 | C23 | C24 | C19 | 0.3° | 0.6° |
| C22 | C23 | C24 | H14 | 180.0° | 179.7° |
| C23 | C22 | C21 | H10 | 180.0° | 179.9° |
| C22 | C23 | C24 | H15 | 179.7° | 179.7° |
| C19 | C18 | C16 | C15 | 179.8° | 180.0° |
| C18 | C19 | C24 | C23 | 179.8° | 179.7° |
| C19 | C18 | C16 | C17 | 0.0° | 0.0° |
| C18 | C19 | C20 | H9 | 0.3° | 0.0° |
| C18 | C19 | C24 | H15 | 0.3° | 0.0° |
| C19 | C18 | N25 | H16 | 0.1° | 0.1° |
| C24 | C19 | C18 | C16 | 31.3° | 134.9° |
| C19 | C24 | C23 | H15 | 180.0° | 179.7° |
| C24 | C19 | C20 | H9 | 179.7° | 179.7° |
| C19 | C24 | C23 | H14 | 179.7° | 179.7° |
| C18 | C16 | C15 | C17 | 179.8° | 180.0° |
| C18 | C16 | C15 | C14 | 179.8° | 179.8° |
| C18 | C16 | C17 | N12 | 153.4° | 168.7° |
| C18 | C16 | C17 | H3 | 86.3° | 71.9° |
| C18 | C16 | C17 | H4 | 33.1° | 49.4° |
| C16 | C18 | N25 | H16 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.9° | 17.8° |
| C15 | C16 | C17 | N12 | 26.3° | 11.2° |
| C15 | C16 | C17 | H3 | 94.0° | 108.1° |
| C15 | C16 | C17 | H4 | 146.6° | 130.6° |
| C16 | C15 | C14 | H5 | 121.5° | 101.9° |
| C16 | C15 | C14 | H6 | 119.6° | 137.6° |
| C14 | C15 | C16 | C17 | 0.4° | 0.2° |
| C15 | C14 | C13 | H5 | 120.6° | 119.7° |
| C15 | C14 | C13 | H6 | 120.6° | 119.8° |
| C15 | C14 | C13 | N12 | 25.3° | 45.9° |
| C15 | C14 | H5 | H6 | 118.2° | 120.5° |
| C15 | C14 | C13 | H7 | 145.8° | 166.0° |
| C15 | C14 | C13 | H8 | 95.2° | 74.0° |
| C24 | C23 | C22 | H11 | 179.9° | 179.7° |
| C16 | C17 | N12 | H3 | 120.3° | 119.3° |
| C16 | C17 | N12 | H4 | 120.3° | 119.5° |
| C16 | C17 | N12 | C13 | 55.0° | 45.0° |
| C16 | C17 | N12 | C02 | 133.1° | 135.1° |
| C16 | C17 | H3 | H4 | 119.1° | 121.3° |
| C14 | C13 | N12 | C17 | 55.0° | 66.0° |
| C14 | C13 | N12 | H7 | 120.5° | 120.0° |
| C14 | C13 | N12 | H8 | 120.5° | 119.9° |
| C14 | C13 | N12 | C02 | 133.1° | 114.1° |
| C13 | C14 | H5 | H6 | 118.2° | 120.4° |
| C14 | C13 | H7 | H8 | 118.5° | 119.9° |
| C17 | N12 | C13 | C02 | 171.9° | 179.9° |
| C17 | N12 | C02 | O01 | 169.0° | 175.9° |
| C17 | N12 | C02 | N03 | 11.7° | 4.1° |
| N12 | C17 | H3 | H4 | 119.1° | 121.2° |
| C17 | N12 | C13 | H7 | 175.5° | 174.0° |
| C17 | N12 | C13 | H8 | 65.5° | 54.0° |
| C13 | N12 | C02 | O01 | 19.7° | 4.0° |
| C13 | N12 | C02 | N03 | 159.6° | 176.0° |
| C13 | N12 | C17 | H3 | 65.4° | 74.3° |
| C13 | N12 | C17 | H4 | 175.3° | 164.5° |
| N12 | C13 | C14 | H5 | 95.3° | 73.8° |
| N12 | C13 | C14 | H6 | 145.8° | 165.8° |
| N12 | C13 | H7 | H8 | 118.5° | 120.1° |
| N12 | C02 | O01 | N03 | 179.3° | 179.9° |
| N12 | C02 | N03 | C04 | 155.3° | 170.3° |
| C02 | N12 | C17 | H3 | 106.6° | 105.6° |
| C02 | N12 | C17 | H4 | 12.7° | 15.6° |
| C02 | N12 | C13 | H7 | 12.6° | 5.9° |
| C02 | N12 | C13 | H8 | 106.4° | 125.9° |
| N12 | C02 | N03 | H12 | 24.7° | 9.6° |
| C10 | C11 | C04 | H2 | 180.0° | 180.0° |
| C11 | C10 | C08 | H1 | 180.0° | 179.8° |
| C10 | C11 | C04 | N03 | 179.8° | 179.9° |
| C10 | C11 | C04 | C05 | 0.5° | 0.0° |
| C11 | C10 | C08 | F09 | 180.0° | 179.8° |
| C11 | C10 | C08 | C06 | 0.0° | 0.1° |
| C04 | C11 | C10 | C08 | 0.3° | 0.0° |
| C11 | C04 | N03 | C02 | 34.6° | 152.7° |
| C11 | C04 | N03 | C05 | 179.3° | 180.0° |
| C11 | C04 | C05 | C06 | 0.5° | 0.0° |
| C04 | C11 | C10 | H1 | 179.7° | 179.7° |
| C11 | C04 | N03 | H12 | 145.4° | 27.2° |
| C11 | C04 | C05 | H13 | 179.5° | 179.9° |
| C10 | C08 | F09 | C06 | 180.0° | 179.7° |
| C10 | C08 | C06 | C05 | 0.0° | 0.1° |
| C10 | C08 | C06 | CL07 | 179.9° | 180.0° |
| C08 | C10 | C11 | H2 | 179.7° | 180.0° |
| O01 | C02 | N03 | C04 | 25.4° | 9.8° |
| O01 | C02 | N03 | H12 | 154.6° | 170.3° |
| C02 | N03 | C04 | H12 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 146.1° | 27.3° |
| N03 | C04 | C05 | C06 | 179.8° | 179.9° |
| N03 | C04 | C11 | H2 | 0.2° | 0.0° |
| N03 | C04 | C05 | H13 | 0.2° | 0.1° |
| C04 | C05 | C06 | C08 | 0.2° | 0.1° |
| C04 | C05 | C06 | H13 | 180.0° | 180.0° |
| C04 | C05 | C06 | CL07 | 179.9° | 180.0° |
| C05 | C04 | C11 | H2 | 179.5° | 180.0° |
| C05 | C04 | N03 | H12 | 33.9° | 152.8° |
| F09 | C08 | C06 | C05 | 180.0° | 179.8° |
| F09 | C08 | C06 | CL07 | 0.1° | 0.3° |
| F09 | C08 | C10 | H1 | 0.0° | 0.0° |
| C08 | C06 | C05 | CL07 | 179.9° | 179.9° |
| C06 | C08 | C10 | H1 | 180.0° | 179.7° |
| C08 | C06 | C05 | H13 | 179.8° | 179.9° |
| CL07 | C06 | C05 | H13 | 0.2° | 0.0° |
| H1 | C10 | C11 | H2 | 0.3° | 0.3° |
| H5 | C14 | C13 | H7 | 25.2° | 46.3° |
| H5 | C14 | C13 | H8 | 144.2° | 166.2° |
| H6 | C14 | C13 | H7 | 93.7° | 74.2° |
| H6 | C14 | C13 | H8 | 25.4° | 45.8° |
| H9 | C20 | C21 | H10 | 0.1° | 0.1° |
| H10 | C21 | C22 | H11 | 0.0° | 0.1° |
| H11 | C22 | C23 | H14 | 0.2° | 0.0° |
| H14 | C23 | C24 | H15 | 0.3° | 0.0° |






