6VX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | S02 | doub | 1.42Å | 1.45Å | |
| O03 | S02 | doub | 1.42Å | 1.45Å | |
| O01 | S02 | sing | 1.52Å | 1.46Å | |
| S02 | C05 | sing | 1.81Å | 1.76Å | |
| O07 | C06 | doub | 1.21Å | 1.23Å | |
| C05 | C06 | sing | 1.51Å | 1.49Å | |
| C05 | C18 | sing | 1.51Å | 1.52Å | |
| C06 | N08 | sing | 1.35Å | 1.40Å | |
| C18 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| N08 | C09 | sing | 1.39Å | 1.40Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| S17 | C09 | sing | 1.76Å | 1.68Å | Aromatic |
| S17 | C16 | sing | 1.76Å | 1.69Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | N10 | doub | 1.29Å | 1.37Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.35Å | 1.44Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.42Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.37Å | 1.38Å | Aromatic |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| N08 | H2 | sing | 0.97Å | 1.00Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| O01 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | S02 | O03 | 109.3° | 121.1° |
| O04 | S02 | O01 | 113.6° | 104.3° |
| O04 | S02 | C05 | 110.8° | 110.5° |
| O03 | S02 | O01 | 113.1° | 104.3° |
| O03 | S02 | C05 | 105.6° | 110.5° |
| O01 | S02 | C05 | 104.1° | 104.4° |
| S02 | O01 | H12 | 109.5° | 114.0° |
| S02 | C05 | C06 | 111.7° | 109.5° |
| S02 | C05 | C18 | 114.7° | 109.5° |
| S02 | C05 | H1 | 106.3° | 109.5° |
| O07 | C06 | C05 | 126.9° | 120.0° |
| O07 | C06 | N08 | 121.5° | 120.0° |
| C06 | C05 | C18 | 105.7° | 109.4° |
| C05 | C06 | N08 | 111.6° | 120.0° |
| C06 | C05 | H1 | 109.4° | 109.4° |
| C05 | C18 | C23 | 120.7° | 120.0° |
| C05 | C18 | C19 | 120.7° | 120.0° |
| C18 | C05 | H1 | 108.9° | 109.5° |
| C06 | N08 | C09 | 121.1° | 120.0° |
| C06 | N08 | H2 | 119.4° | 120.0° |
| C23 | C18 | C19 | 118.6° | 120.0° |
| C18 | C23 | C22 | 120.5° | 120.0° |
| C18 | C23 | H11 | 119.7° | 120.0° |
| C18 | C19 | C20 | 121.3° | 120.0° |
| C18 | C19 | H7 | 119.3° | 120.0° |
| C23 | C22 | C21 | 120.3° | 120.0° |
| C23 | C22 | H10 | 119.8° | 120.0° |
| C22 | C23 | H11 | 119.7° | 120.0° |
| C19 | C20 | C21 | 119.6° | 120.0° |
| C20 | C19 | H7 | 119.4° | 120.0° |
| C19 | C20 | H8 | 120.2° | 120.0° |
| N08 | C09 | S17 | 129.3° | 124.8° |
| N08 | C09 | N10 | 116.8° | 124.8° |
| C09 | N08 | H2 | 119.4° | 120.0° |
| C22 | C21 | C20 | 119.6° | 120.0° |
| C22 | C21 | H9 | 120.2° | 120.0° |
| C21 | C22 | H10 | 119.9° | 120.0° |
| C09 | S17 | C16 | 94.0° | 90.5° |
| S17 | C09 | N10 | 113.5° | 110.4° |
| S17 | C16 | C15 | 133.7° | 131.3° |
| S17 | C16 | C11 | 108.6° | 108.4° |
| C21 | C20 | H8 | 120.2° | 120.0° |
| C20 | C21 | H9 | 120.2° | 120.0° |
| C09 | N10 | C11 | 108.5° | 117.9° |
| C15 | C16 | C11 | 117.7° | 120.4° |
| C16 | C15 | C14 | 119.9° | 120.2° |
| C16 | C15 | H6 | 120.0° | 119.9° |
| C16 | C11 | N10 | 115.5° | 112.9° |
| C16 | C11 | C12 | 123.1° | 118.4° |
| N10 | C11 | C12 | 121.4° | 128.7° |
| C15 | C14 | C13 | 121.5° | 120.0° |
| C15 | C14 | H5 | 119.3° | 120.0° |
| C14 | C15 | H6 | 120.0° | 119.9° |
| C11 | C12 | C13 | 118.3° | 120.4° |
| C11 | C12 | H3 | 120.9° | 119.8° |
| C14 | C13 | C12 | 119.5° | 120.6° |
| C14 | C13 | H4 | 120.2° | 119.7° |
| C13 | C14 | H5 | 119.2° | 120.0° |
| C13 | C12 | H3 | 120.9° | 119.8° |
| C12 | C13 | H4 | 120.2° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | S02 | O03 | O01 | 127.6° | 116.8° |
| O04 | S02 | O03 | C05 | 119.2° | 131.5° |
| O04 | S02 | O01 | C05 | 120.6° | 116.1° |
| O04 | S02 | C05 | C06 | 64.2° | 171.6° |
| O04 | S02 | C05 | C18 | 56.0° | 51.6° |
| O04 | S02 | C05 | H1 | 176.5° | 68.4° |
| O04 | S02 | O01 | H12 | 125.3° | 63.9° |
| O03 | S02 | O01 | C05 | 114.1° | 116.1° |
| O03 | S02 | C05 | C06 | 54.0° | 51.6° |
| O03 | S02 | C05 | C18 | 174.2° | 171.6° |
| O03 | S02 | C05 | H1 | 65.4° | 68.4° |
| O03 | S02 | O01 | H12 | 0.0° | 63.9° |
| O01 | S02 | C05 | C06 | 173.3° | 60.0° |
| O01 | S02 | C05 | C18 | 66.5° | 60.0° |
| O01 | S02 | C05 | H1 | 54.0° | 180.0° |
| S02 | C05 | C06 | O07 | 34.7° | 85.0° |
| S02 | C05 | C06 | C18 | 125.4° | 120.0° |
| S02 | C05 | C06 | H1 | 117.4° | 120.0° |
| S02 | C05 | C18 | H1 | 119.0° | 120.0° |
| S02 | C05 | C06 | N08 | 145.5° | 95.0° |
| S02 | C05 | C18 | C23 | 87.4° | 119.9° |
| S02 | C05 | C18 | C19 | 94.6° | 60.2° |
| C05 | S02 | O01 | H12 | 114.0° | 180.0° |
| O07 | C06 | C05 | N08 | 179.8° | 180.0° |
| O07 | C06 | C05 | C18 | 90.7° | 35.0° |
| O07 | C06 | N08 | C09 | 8.4° | 0.1° |
| O07 | C06 | C05 | H1 | 152.1° | 155.0° |
| O07 | C06 | N08 | H2 | 171.6° | 180.0° |
| C06 | C05 | C18 | H1 | 117.5° | 119.9° |
| C06 | C05 | C18 | C23 | 36.1° | 120.0° |
| C06 | C05 | C18 | C19 | 141.8° | 59.8° |
| C05 | C06 | N08 | C09 | 171.4° | 180.0° |
| C05 | C06 | N08 | H2 | 8.6° | 0.0° |
| C18 | C05 | C06 | N08 | 89.1° | 145.0° |
| C05 | C18 | C23 | C19 | 178.0° | 179.8° |
| C05 | C18 | C23 | C22 | 179.2° | 179.7° |
| C05 | C18 | C19 | C20 | 179.7° | 180.0° |
| C05 | C18 | C19 | H7 | 0.3° | 0.1° |
| C05 | C18 | C23 | H11 | 0.7° | 0.1° |
| C06 | N08 | C09 | H2 | 180.0° | 179.9° |
| C06 | N08 | C09 | S17 | 8.4° | 0.2° |
| C06 | N08 | C09 | N10 | 164.0° | 180.0° |
| N08 | C06 | C05 | H1 | 28.1° | 25.0° |
| C18 | C23 | C22 | H11 | 180.0° | 179.8° |
| C23 | C18 | C19 | C20 | 1.7° | 0.2° |
| C18 | C23 | C22 | C21 | 0.4° | 0.5° |
| C23 | C18 | C05 | H1 | 153.6° | 0.1° |
| C23 | C18 | C19 | H7 | 178.4° | 179.8° |
| C18 | C23 | C22 | H10 | 179.6° | 179.8° |
| C19 | C18 | C23 | C22 | 1.2° | 0.4° |
| C18 | C19 | C20 | H7 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 1.3° | 0.0° |
| C19 | C18 | C05 | H1 | 24.3° | 179.7° |
| C18 | C19 | C20 | H8 | 178.7° | 180.0° |
| C19 | C18 | C23 | H11 | 178.8° | 179.7° |
| C23 | C22 | C21 | H10 | 180.0° | 179.8° |
| C23 | C22 | C21 | C20 | 0.0° | 0.3° |
| C23 | C22 | C21 | H9 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.4° | 0.1° |
| C19 | C20 | C21 | H8 | 180.0° | 179.9° |
| C19 | C20 | C21 | H9 | 179.6° | 179.9° |
| N08 | C09 | S17 | N10 | 172.6° | 179.8° |
| N08 | C09 | S17 | C16 | 174.3° | 179.9° |
| N08 | C09 | N10 | C11 | 174.8° | 179.9° |
| C22 | C21 | C20 | H9 | 180.0° | 179.9° |
| C22 | C21 | C20 | H8 | 179.6° | 180.0° |
| C21 | C22 | C23 | H11 | 179.6° | 179.7° |
| C09 | S17 | C16 | C15 | 178.1° | 180.0° |
| C09 | S17 | C16 | C11 | 1.6° | 0.3° |
| S17 | C09 | N10 | C11 | 1.2° | 0.3° |
| S17 | C09 | N08 | H2 | 171.6° | 179.7° |
| C16 | S17 | C09 | N10 | 1.7° | 0.3° |
| S17 | C16 | C15 | C11 | 179.7° | 179.7° |
| S17 | C16 | C11 | N10 | 1.3° | 0.2° |
| S17 | C16 | C15 | C14 | 179.3° | 179.7° |
| S17 | C16 | C11 | C12 | 179.6° | 179.7° |
| S17 | C16 | C15 | H6 | 0.7° | 0.4° |
| C21 | C20 | C19 | H7 | 178.7° | 180.0° |
| C20 | C21 | C22 | H10 | 180.0° | 180.0° |
| C09 | N10 | C11 | C16 | 0.1° | 0.0° |
| C09 | N10 | C11 | C12 | 178.5° | 180.0° |
| N10 | C09 | N08 | H2 | 16.1° | 0.0° |
| C15 | C16 | C11 | N10 | 178.5° | 180.0° |
| C16 | C15 | C14 | H6 | 180.0° | 179.9° |
| C15 | C16 | C11 | C12 | 0.2° | 0.0° |
| C16 | C15 | C14 | C13 | 0.8° | 0.1° |
| C16 | C15 | C14 | H5 | 179.2° | 180.0° |
| C16 | C11 | N10 | C12 | 178.4° | 179.9° |
| C11 | C16 | C15 | C14 | 0.4° | 0.0° |
| C16 | C11 | C12 | C13 | 0.3° | 0.0° |
| C16 | C11 | C12 | H3 | 179.6° | 180.0° |
| C11 | C16 | C15 | H6 | 179.6° | 179.9° |
| N10 | C11 | C12 | C13 | 178.6° | 179.9° |
| N10 | C11 | C12 | H3 | 1.4° | 0.0° |
| C15 | C14 | C13 | H5 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.0° | 0.1° |
| C15 | C14 | C13 | H4 | 179.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.7° | 0.0° |
| C11 | C12 | C13 | H3 | 180.0° | 180.0° |
| C11 | C12 | C13 | H4 | 179.3° | 180.0° |
| C14 | C13 | C12 | H4 | 180.0° | 180.0° |
| C14 | C13 | C12 | H3 | 179.2° | 180.0° |
| C13 | C14 | C15 | H6 | 179.2° | 180.0° |
| C12 | C13 | C14 | H5 | 179.0° | 180.0° |
| H3 | C12 | C13 | H4 | 0.8° | 0.0° |
| H4 | C13 | C14 | H5 | 1.0° | 0.0° |
| H5 | C14 | C15 | H6 | 0.8° | 0.1° |
| H7 | C19 | C20 | H8 | 1.2° | 0.0° |
| H8 | C20 | C21 | H9 | 0.4° | 0.1° |
| H9 | C21 | C22 | H10 | 0.0° | 0.1° |
| H10 | C22 | C23 | H11 | 0.4° | 0.1° |
