VJ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | doub | 1.37Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C22 | sing | 1.46Å | 1.43Å | Aromatic |
| C24 | C29 | doub | 1.41Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C28 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.34Å | 1.40Å | Aromatic |
| C29 | N20 | sing | 1.38Å | 1.36Å | Aromatic |
| C21 | N20 | sing | 1.37Å | 1.31Å | Aromatic |
| N20 | C19 | sing | 1.46Å | 1.43Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | sing | 1.51Å | 1.52Å | |
| C08 | C09 | doub | 1.39Å | 1.43Å | Aromatic |
| C08 | O07 | sing | 1.36Å | 1.41Å | |
| C10 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | N16 | sing | 1.35Å | 1.42Å | |
| C17 | O30 | doub | 1.21Å | 1.26Å | |
| N16 | S02 | sing | 1.66Å | 1.65Å | |
| O07 | C06 | sing | 1.36Å | 1.42Å | |
| C06 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.43Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | S02 | sing | 1.76Å | 1.81Å | |
| S02 | O31 | doub | 1.42Å | 1.43Å | |
| S02 | O01 | doub | 1.42Å | 1.46Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| N16 | H13 | sing | 0.97Å | 1.00Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C26 | C27 | 120.3° | 120.5° |
| C26 | C25 | C24 | 120.6° | 119.8° |
| C25 | C26 | H5 | 119.8° | 119.8° |
| C26 | C25 | H21 | 119.7° | 120.0° |
| C26 | C27 | C28 | 119.5° | 120.7° |
| C27 | C26 | H5 | 119.8° | 119.7° |
| C26 | C27 | H22 | 120.2° | 119.6° |
| C25 | C24 | C22 | 135.8° | 134.0° |
| C25 | C24 | C29 | 118.5° | 119.9° |
| C24 | C25 | H21 | 119.7° | 120.2° |
| C27 | C28 | C29 | 119.6° | 119.8° |
| C27 | C28 | H6 | 120.2° | 120.1° |
| C28 | C27 | H22 | 120.3° | 119.7° |
| C22 | C24 | C29 | 105.8° | 106.0° |
| C24 | C22 | C23 | 127.0° | 126.5° |
| C24 | C22 | C21 | 107.5° | 107.0° |
| C24 | C29 | C28 | 121.5° | 119.3° |
| C24 | C29 | N20 | 107.5° | 107.2° |
| C23 | C22 | C21 | 125.5° | 126.5° |
| C22 | C23 | H18 | 109.5° | 109.5° |
| C22 | C23 | H19 | 109.5° | 109.5° |
| C22 | C23 | H20 | 109.5° | 109.5° |
| C28 | C29 | N20 | 131.0° | 133.5° |
| C29 | C28 | H6 | 120.2° | 120.1° |
| C22 | C21 | N20 | 106.9° | 109.9° |
| C22 | C21 | H4 | 126.6° | 125.0° |
| C29 | N20 | C21 | 112.4° | 109.9° |
| C29 | N20 | C19 | 121.6° | 125.1° |
| C21 | N20 | C19 | 126.0° | 125.0° |
| N20 | C21 | H4 | 126.6° | 125.1° |
| N20 | C19 | C18 | 106.2° | 109.5° |
| N20 | C19 | H16 | 110.3° | 109.5° |
| N20 | C19 | H17 | 110.3° | 109.5° |
| C13 | C12 | C11 | 120.1° | 120.1° |
| C12 | C13 | C08 | 119.8° | 119.9° |
| C12 | C13 | H2 | 120.1° | 120.0° |
| C13 | C12 | H11 | 120.0° | 120.0° |
| C12 | C11 | C10 | 120.6° | 120.1° |
| C12 | C11 | H10 | 119.7° | 120.0° |
| C11 | C12 | H11 | 119.9° | 119.9° |
| C13 | C08 | C09 | 119.7° | 119.9° |
| C13 | C08 | O07 | 122.8° | 120.1° |
| C08 | C13 | H2 | 120.1° | 120.1° |
| C11 | C10 | C09 | 119.3° | 120.1° |
| C11 | C10 | H1 | 120.3° | 120.0° |
| C10 | C11 | H10 | 119.7° | 119.9° |
| C19 | C18 | C17 | 108.2° | 109.5° |
| C19 | C18 | H14 | 109.8° | 109.5° |
| C19 | C18 | H15 | 109.8° | 109.5° |
| C18 | C19 | H16 | 110.3° | 109.5° |
| C18 | C19 | H17 | 110.3° | 109.5° |
| C18 | C17 | N16 | 116.0° | 120.0° |
| C18 | C17 | O30 | 121.9° | 120.0° |
| C17 | C18 | H14 | 109.8° | 109.4° |
| C17 | C18 | H15 | 109.8° | 109.4° |
| C09 | C08 | O07 | 117.4° | 120.0° |
| C08 | C09 | C10 | 120.5° | 119.9° |
| C08 | C09 | H9 | 119.8° | 120.0° |
| C08 | O07 | C06 | 117.5° | 117.9° |
| C09 | C10 | H1 | 120.4° | 119.9° |
| C10 | C09 | H9 | 119.8° | 120.1° |
| N16 | C17 | O30 | 122.1° | 120.0° |
| C17 | N16 | S02 | 117.6° | 120.0° |
| C17 | N16 | H13 | 121.2° | 120.0° |
| N16 | S02 | C03 | 107.5° | 107.2° |
| N16 | S02 | O31 | 107.3° | 106.4° |
| N16 | S02 | O01 | 112.3° | 106.4° |
| S02 | N16 | H13 | 121.2° | 120.0° |
| O07 | C06 | C14 | 122.7° | 120.1° |
| O07 | C06 | C05 | 117.1° | 120.0° |
| C14 | C06 | C05 | 120.3° | 119.9° |
| C06 | C14 | C15 | 119.6° | 119.9° |
| C06 | C14 | H12 | 120.2° | 120.1° |
| C06 | C05 | C04 | 120.1° | 119.9° |
| C06 | C05 | H8 | 119.9° | 120.1° |
| C14 | C15 | C03 | 119.8° | 120.1° |
| C14 | C15 | H3 | 120.1° | 120.0° |
| C15 | C14 | H12 | 120.2° | 120.0° |
| C05 | C04 | C03 | 119.7° | 120.0° |
| C05 | C04 | H7 | 120.1° | 120.0° |
| C04 | C05 | H8 | 119.9° | 120.0° |
| C15 | C03 | C04 | 120.4° | 120.1° |
| C15 | C03 | S02 | 119.4° | 120.0° |
| C03 | C15 | H3 | 120.1° | 119.9° |
| C04 | C03 | S02 | 120.2° | 119.9° |
| C03 | C04 | H7 | 120.2° | 120.0° |
| C03 | S02 | O31 | 111.6° | 106.4° |
| C03 | S02 | O01 | 112.8° | 106.4° |
| O31 | S02 | O01 | 105.4° | 123.2° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.4° |
| H18 | C23 | H19 | 109.5° | 109.4° |
| H18 | C23 | H20 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C26 | C27 | H5 | 180.0° | 180.0° |
| C26 | C25 | C24 | H21 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C26 | C25 | C24 | C22 | 180.0° | 180.0° |
| C26 | C25 | C24 | C29 | 0.3° | 0.0° |
| C25 | C26 | C27 | H22 | 179.9° | 180.0° |
| C27 | C26 | C25 | C24 | 0.3° | 0.1° |
| C26 | C27 | C28 | H22 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.5° | 0.0° |
| C26 | C27 | C28 | H6 | 179.5° | 179.9° |
| C27 | C26 | C25 | H21 | 179.8° | 179.9° |
| C25 | C24 | C22 | C29 | 179.7° | 180.0° |
| C25 | C24 | C22 | C23 | 0.3° | 0.1° |
| C25 | C24 | C29 | C28 | 0.1° | 0.0° |
| C25 | C24 | C22 | C21 | 179.9° | 180.0° |
| C25 | C24 | C29 | N20 | 179.6° | 180.0° |
| C24 | C25 | C26 | H5 | 179.8° | 180.0° |
| C27 | C28 | C29 | C24 | 0.5° | 0.1° |
| C27 | C28 | C29 | H6 | 180.0° | 179.9° |
| C27 | C28 | C29 | N20 | 179.9° | 179.9° |
| C28 | C27 | C26 | H5 | 179.8° | 180.0° |
| C24 | C22 | C23 | C21 | 179.5° | 180.0° |
| C22 | C24 | C29 | C28 | 179.7° | 180.0° |
| C22 | C24 | C29 | N20 | 0.1° | 0.0° |
| C24 | C22 | C21 | N20 | 0.8° | 0.0° |
| C24 | C22 | C21 | H4 | 179.2° | 179.7° |
| C24 | C22 | C23 | H18 | 89.8° | 90.0° |
| C24 | C22 | C23 | H19 | 150.2° | 30.0° |
| C24 | C22 | C23 | H20 | 30.3° | 150.0° |
| C22 | C24 | C25 | H21 | 0.1° | 0.0° |
| C29 | C24 | C22 | C23 | 180.0° | 180.0° |
| C24 | C29 | C28 | N20 | 179.5° | 180.0° |
| C29 | C24 | C22 | C21 | 0.4° | 0.0° |
| C24 | C29 | N20 | C21 | 0.7° | 0.0° |
| C24 | C29 | N20 | C19 | 179.8° | 179.8° |
| C24 | C29 | C28 | H6 | 179.5° | 179.9° |
| C29 | C24 | C25 | H21 | 179.7° | 180.0° |
| C23 | C22 | C21 | N20 | 179.6° | 180.0° |
| C23 | C22 | C21 | H4 | 0.4° | 0.3° |
| C22 | C23 | H18 | H19 | 120.0° | 120.0° |
| C22 | C23 | H18 | H20 | 120.0° | 120.0° |
| C22 | C23 | H19 | H20 | 120.0° | 120.0° |
| C28 | C29 | N20 | C21 | 179.8° | 180.0° |
| C28 | C29 | N20 | C19 | 0.3° | 0.2° |
| C29 | C28 | C27 | H22 | 179.5° | 180.0° |
| C22 | C21 | N20 | C29 | 0.9° | 0.0° |
| C22 | C21 | N20 | H4 | 180.0° | 179.7° |
| C22 | C21 | N20 | C19 | 179.6° | 179.8° |
| C21 | C22 | C23 | H18 | 89.7° | 90.1° |
| C21 | C22 | C23 | H19 | 30.3° | 150.0° |
| C21 | C22 | C23 | H20 | 150.2° | 30.0° |
| C29 | N20 | C21 | C19 | 179.5° | 179.8° |
| C29 | N20 | C19 | C18 | 75.2° | 84.7° |
| C29 | N20 | C21 | H4 | 179.1° | 179.8° |
| N20 | C29 | C28 | H6 | 0.1° | 0.1° |
| C29 | N20 | C19 | H16 | 44.3° | 35.3° |
| C29 | N20 | C19 | H17 | 165.3° | 155.2° |
| C21 | N20 | C19 | C18 | 104.3° | 95.0° |
| C21 | N20 | C19 | H16 | 136.2° | 145.0° |
| C21 | N20 | C19 | H17 | 15.2° | 25.0° |
| N20 | C19 | C18 | H16 | 119.5° | 120.0° |
| N20 | C19 | C18 | H17 | 119.5° | 120.0° |
| N20 | C19 | C18 | C17 | 177.4° | 180.0° |
| C19 | N20 | C21 | H4 | 0.4° | 0.0° |
| N20 | C19 | C18 | H14 | 57.6° | 60.0° |
| N20 | C19 | C18 | H15 | 62.8° | 60.0° |
| N20 | C19 | H16 | H17 | 121.5° | 120.0° |
| C13 | C12 | C11 | H11 | 180.0° | 179.9° |
| C12 | C13 | C08 | H2 | 180.0° | 179.6° |
| C13 | C12 | C11 | C10 | 1.0° | 0.1° |
| C12 | C13 | C08 | C09 | 1.5° | 0.5° |
| C12 | C13 | C08 | O07 | 178.9° | 179.5° |
| C13 | C12 | C11 | H10 | 179.0° | 180.0° |
| C11 | C12 | C13 | C08 | 1.7° | 0.2° |
| C12 | C11 | C10 | H10 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 0.1° | 0.0° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C11 | C12 | C13 | H2 | 178.3° | 179.8° |
| C13 | C08 | C09 | O07 | 177.6° | 180.0° |
| C13 | C08 | C09 | C10 | 0.6° | 0.5° |
| C13 | C08 | O07 | C06 | 55.0° | 6.1° |
| C13 | C08 | C09 | H9 | 179.4° | 179.6° |
| C08 | C13 | C12 | H11 | 178.3° | 180.0° |
| C11 | C10 | C09 | C08 | 0.1° | 0.3° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | H9 | 179.9° | 179.8° |
| C10 | C11 | C12 | H11 | 179.0° | 179.8° |
| C19 | C18 | C17 | H14 | 119.8° | 120.0° |
| C19 | C18 | C17 | H15 | 119.8° | 120.0° |
| C19 | C18 | C17 | N16 | 165.7° | 180.0° |
| C19 | C18 | C17 | O30 | 14.2° | 0.0° |
| C19 | C18 | H14 | H15 | 120.6° | 120.1° |
| C18 | C19 | H16 | H17 | 121.5° | 120.0° |
| C18 | C17 | N16 | O30 | 179.9° | 180.0° |
| C18 | C17 | N16 | S02 | 179.6° | 180.0° |
| C18 | C17 | N16 | H13 | 0.4° | 0.1° |
| C17 | C18 | H14 | H15 | 120.6° | 119.9° |
| C17 | C18 | C19 | H16 | 63.1° | 60.0° |
| C17 | C18 | C19 | H17 | 57.9° | 60.0° |
| C08 | C09 | C10 | H9 | 180.0° | 179.9° |
| C09 | C08 | O07 | C06 | 127.5° | 173.9° |
| C08 | C09 | C10 | H1 | 179.9° | 180.0° |
| C09 | C08 | C13 | H2 | 178.5° | 180.0° |
| O07 | C08 | C09 | C10 | 178.2° | 179.5° |
| C08 | O07 | C06 | C14 | 19.0° | 67.5° |
| C08 | O07 | C06 | C05 | 161.9° | 113.2° |
| O07 | C08 | C13 | H2 | 1.1° | 0.1° |
| O07 | C08 | C09 | H9 | 1.8° | 0.5° |
| C09 | C10 | C11 | H10 | 179.9° | 179.9° |
| C17 | N16 | S02 | H13 | 180.0° | 179.9° |
| C17 | N16 | S02 | C03 | 72.6° | 65.0° |
| C17 | N16 | S02 | O31 | 167.3° | 178.6° |
| C17 | N16 | S02 | O01 | 51.9° | 48.5° |
| N16 | C17 | C18 | H14 | 45.9° | 60.0° |
| N16 | C17 | C18 | H15 | 74.5° | 60.0° |
| O30 | C17 | N16 | S02 | 0.5° | 0.0° |
| O30 | C17 | N16 | H13 | 179.4° | 180.0° |
| O30 | C17 | C18 | H14 | 133.9° | 120.0° |
| O30 | C17 | C18 | H15 | 105.6° | 120.0° |
| N16 | S02 | C03 | C15 | 107.1° | 90.0° |
| N16 | S02 | C03 | C04 | 71.6° | 90.0° |
| N16 | S02 | C03 | O31 | 117.3° | 113.6° |
| N16 | S02 | C03 | O01 | 124.3° | 113.6° |
| N16 | S02 | O31 | O01 | 119.8° | 123.0° |
| O07 | C06 | C14 | C05 | 179.1° | 179.4° |
| O07 | C06 | C14 | C15 | 180.0° | 179.9° |
| O07 | C06 | C05 | C04 | 179.9° | 179.6° |
| O07 | C06 | C05 | H8 | 0.1° | 0.3° |
| O07 | C06 | C14 | H12 | 0.0° | 0.6° |
| C06 | C14 | C15 | H12 | 180.0° | 179.5° |
| C14 | C06 | C05 | C04 | 0.7° | 0.3° |
| C06 | C14 | C15 | C03 | 0.7° | 0.6° |
| C06 | C14 | C15 | H3 | 179.3° | 179.7° |
| C14 | C06 | C05 | H8 | 179.3° | 179.7° |
| C05 | C06 | C14 | C15 | 0.8° | 0.6° |
| C06 | C05 | C04 | H8 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.4° | 0.0° |
| C06 | C05 | C04 | H7 | 179.6° | 180.0° |
| C05 | C06 | C14 | H12 | 179.1° | 180.0° |
| C14 | C15 | C03 | H3 | 180.0° | 179.7° |
| C14 | C15 | C03 | C04 | 0.4° | 0.3° |
| C14 | C15 | C03 | S02 | 179.2° | 179.7° |
| C05 | C04 | C03 | C15 | 0.3° | 0.0° |
| C05 | C04 | C03 | H7 | 180.0° | 180.0° |
| C05 | C04 | C03 | S02 | 179.0° | 180.0° |
| C15 | C03 | C04 | S02 | 178.8° | 180.0° |
| C15 | C03 | S02 | O31 | 10.2° | 23.5° |
| C15 | C03 | S02 | O01 | 128.6° | 156.4° |
| C15 | C03 | C04 | H7 | 179.8° | 180.0° |
| C03 | C15 | C14 | H12 | 179.3° | 180.0° |
| C04 | C03 | S02 | O31 | 171.0° | 156.5° |
| C04 | C03 | S02 | O01 | 52.7° | 23.6° |
| C04 | C03 | C15 | H3 | 179.6° | 180.0° |
| C03 | C04 | C05 | H8 | 179.6° | 180.0° |
| C03 | S02 | O31 | O01 | 122.7° | 122.9° |
| S02 | C03 | C15 | H3 | 0.9° | 0.0° |
| S02 | C03 | C04 | H7 | 1.0° | 0.0° |
| C03 | S02 | N16 | H13 | 107.4° | 115.0° |
| O31 | S02 | N16 | H13 | 12.7° | 1.5° |
| O01 | S02 | N16 | H13 | 128.0° | 131.4° |
| H1 | C10 | C09 | H9 | 0.2° | 0.1° |
| H1 | C10 | C11 | H10 | 0.1° | 0.2° |
| H2 | C13 | C12 | H11 | 1.7° | 0.4° |
| H3 | C15 | C14 | H12 | 0.7° | 0.3° |
| H5 | C26 | C25 | H21 | 0.2° | 0.0° |
| H5 | C26 | C27 | H22 | 0.2° | 0.0° |
| H6 | C28 | C27 | H22 | 0.5° | 0.1° |
| H7 | C04 | C05 | H8 | 0.4° | 0.1° |
| H10 | C11 | C12 | H11 | 1.0° | 0.1° |
| H14 | C18 | C19 | H16 | 177.1° | 179.9° |
| H14 | C18 | C19 | H17 | 61.9° | 60.0° |
| H15 | C18 | C19 | H16 | 56.7° | 60.0° |
| H15 | C18 | C19 | H17 | 177.7° | 179.9° |
| H18 | C23 | H19 | H20 | 120.0° | 120.0° |
