VK1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | S02 | doub | 1.42Å | 1.47Å | |
| N21 | S02 | doub | 1.49Å | 1.54Å | |
| N01 | S02 | sing | 1.66Å | 1.72Å | |
| S02 | C03 | sing | 1.81Å | 1.85Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| S18 | C17 | sing | 1.76Å | 1.80Å | |
| S18 | C19 | sing | 1.81Å | 1.83Å | |
| N20 | C17 | doub | 1.33Å | 1.32Å | Aromatic |
| N20 | C06 | sing | 1.33Å | 1.33Å | Aromatic |
| C03 | C05 | sing | 1.53Å | 1.53Å | |
| C03 | C06 | sing | 1.51Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C17 | N16 | sing | 1.32Å | 1.32Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| N16 | C08 | doub | 1.33Å | 1.31Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C08 | N09 | sing | 1.39Å | 1.45Å | |
| C10 | N09 | sing | 1.47Å | 1.47Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C15 | N09 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | O13 | sing | 1.43Å | 1.40Å | |
| O13 | C14 | sing | 1.43Å | 1.39Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| N01 | H19 | sing | 0.97Å | 1.00Å | |
| N01 | H20 | sing | 0.97Å | 1.00Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | S02 | N21 | 82.4° | 108.3° |
| O22 | S02 | N01 | 81.3° | 108.3° |
| O22 | S02 | C03 | 133.6° | 114.7° |
| N21 | S02 | N01 | 134.9° | 108.7° |
| N21 | S02 | C03 | 111.5° | 108.3° |
| S02 | N21 | H21 | 112.0° | 120.0° |
| N01 | S02 | C03 | 110.2° | 108.3° |
| S02 | N01 | H19 | 109.5° | 120.0° |
| S02 | N01 | H20 | 109.5° | 120.0° |
| S02 | C03 | C05 | 110.0° | 117.5° |
| S02 | C03 | C06 | 107.0° | 115.5° |
| S02 | C03 | C04 | 113.7° | 117.5° |
| C11 | C10 | N09 | 108.0° | 109.5° |
| C11 | C10 | C12 | 110.9° | 109.5° |
| C11 | C10 | H1 | 108.6° | 109.5° |
| C10 | C11 | H9 | 109.5° | 109.4° |
| C10 | C11 | H10 | 109.5° | 109.5° |
| C10 | C11 | H11 | 109.4° | 109.4° |
| C17 | S18 | C19 | 107.8° | 100.0° |
| S18 | C17 | N20 | 119.8° | 119.1° |
| S18 | C17 | N16 | 116.1° | 119.2° |
| S18 | C19 | H16 | 109.5° | 109.5° |
| S18 | C19 | H17 | 109.5° | 109.4° |
| S18 | C19 | H18 | 109.4° | 109.5° |
| C17 | N20 | C06 | 119.1° | 120.9° |
| N20 | C17 | N16 | 124.0° | 121.7° |
| N20 | C06 | C03 | 118.5° | 120.4° |
| N20 | C06 | C07 | 120.4° | 119.3° |
| C05 | C03 | C06 | 120.4° | 117.5° |
| C05 | C03 | C04 | 59.7° | 60.0° |
| C03 | C05 | C04 | 60.1° | 60.0° |
| C03 | C05 | H6 | 120.0° | 117.5° |
| C03 | C05 | H7 | 120.0° | 117.5° |
| C06 | C03 | C04 | 136.0° | 117.5° |
| C03 | C06 | C07 | 121.1° | 120.4° |
| C03 | C04 | C05 | 60.2° | 60.0° |
| C03 | C04 | H4 | 120.0° | 117.5° |
| C03 | C04 | H5 | 120.0° | 117.5° |
| C05 | C04 | H4 | 120.0° | 117.5° |
| C05 | C04 | H5 | 119.9° | 117.5° |
| C04 | C05 | H6 | 120.0° | 117.5° |
| C04 | C05 | H7 | 120.0° | 117.5° |
| C17 | N16 | C08 | 118.9° | 120.6° |
| C06 | C07 | C08 | 116.1° | 118.5° |
| C06 | C07 | H8 | 122.0° | 120.7° |
| N16 | C08 | C07 | 121.4° | 119.0° |
| N16 | C08 | N09 | 115.3° | 120.4° |
| C07 | C08 | N09 | 123.4° | 120.5° |
| C08 | C07 | H8 | 122.0° | 120.8° |
| C08 | N09 | C10 | 118.2° | 111.0° |
| C08 | N09 | C15 | 123.3° | 111.0° |
| N09 | C10 | C12 | 110.8° | 109.2° |
| C10 | N09 | C15 | 111.3° | 110.7° |
| N09 | C10 | H1 | 109.7° | 109.5° |
| C10 | C12 | O13 | 112.1° | 109.3° |
| C12 | C10 | H1 | 108.8° | 109.5° |
| C10 | C12 | H12 | 108.8° | 109.5° |
| C10 | C12 | H13 | 108.8° | 109.5° |
| N09 | C15 | C14 | 107.4° | 109.3° |
| N09 | C15 | H2 | 110.0° | 109.5° |
| N09 | C15 | H3 | 110.0° | 109.5° |
| C15 | C14 | O13 | 110.0° | 109.3° |
| C14 | C15 | H2 | 110.0° | 109.5° |
| C14 | C15 | H3 | 110.0° | 109.5° |
| C15 | C14 | H14 | 109.3° | 109.5° |
| C15 | C14 | H15 | 109.3° | 109.4° |
| C12 | O13 | C14 | 115.1° | 113.7° |
| O13 | C12 | H12 | 108.8° | 109.5° |
| O13 | C12 | H13 | 108.8° | 109.5° |
| O13 | C14 | H14 | 109.4° | 109.5° |
| O13 | C14 | H15 | 109.4° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C04 | H5 | 109.5° | 115.6° |
| H6 | C05 | H7 | 109.5° | 115.6° |
| H9 | C11 | H10 | 109.5° | 109.6° |
| H9 | C11 | H11 | 109.4° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.4° | 109.5° |
| H16 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H19 | N01 | H20 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | S02 | N21 | N01 | 69.6° | 117.6° |
| O22 | S02 | N21 | C03 | 134.1° | 124.9° |
| O22 | S02 | N01 | C03 | 133.5° | 125.0° |
| O22 | S02 | C03 | C05 | 88.2° | 64.9° |
| O22 | S02 | C03 | C06 | 44.2° | 80.8° |
| O22 | S02 | C03 | C04 | 152.9° | 133.5° |
| O22 | S02 | N01 | H19 | 180.0° | 172.5° |
| O22 | S02 | N01 | H20 | 60.0° | 7.5° |
| O22 | S02 | N21 | H21 | 0.0° | 115.0° |
| N21 | S02 | N01 | C03 | 156.5° | 117.5° |
| N21 | S02 | C03 | C05 | 12.1° | 56.2° |
| N21 | S02 | C03 | C06 | 144.5° | 158.1° |
| N21 | S02 | C03 | C04 | 52.7° | 12.4° |
| N21 | S02 | N01 | H19 | 110.0° | 55.0° |
| N21 | S02 | N01 | H20 | 130.0° | 125.0° |
| N01 | S02 | C03 | C05 | 174.4° | 174.0° |
| N01 | S02 | C03 | C06 | 53.2° | 40.3° |
| N01 | S02 | C03 | C04 | 109.7° | 105.4° |
| S02 | N01 | H19 | H20 | 120.0° | 180.0° |
| N01 | S02 | N21 | H21 | 69.6° | 2.5° |
| S02 | C03 | C06 | N20 | 50.3° | 148.2° |
| S02 | C03 | C05 | C06 | 125.1° | 145.0° |
| S02 | C03 | C05 | C04 | 106.4° | 107.5° |
| S02 | C03 | C06 | C04 | 157.1° | 145.7° |
| S02 | C03 | C06 | C07 | 131.3° | 31.8° |
| S02 | C03 | C04 | H4 | 150.3° | 145.0° |
| S02 | C03 | C04 | H5 | 9.3° | 0.0° |
| S02 | C03 | C05 | H6 | 3.1° | 0.0° |
| S02 | C03 | C05 | H7 | 144.1° | 145.0° |
| C03 | S02 | N01 | H19 | 46.6° | 62.5° |
| C03 | S02 | N01 | H20 | 73.4° | 117.5° |
| C03 | S02 | N21 | H21 | 134.1° | 120.0° |
| C11 | C10 | N09 | C08 | 83.6° | 62.4° |
| C11 | C10 | N09 | C12 | 121.6° | 120.0° |
| C11 | C10 | N09 | H1 | 118.2° | 120.1° |
| C11 | C10 | C12 | H1 | 119.4° | 120.1° |
| C11 | C10 | N09 | C15 | 67.8° | 61.4° |
| C11 | C10 | C12 | O13 | 71.6° | 63.1° |
| C10 | C11 | H9 | H10 | 120.0° | 120.0° |
| C10 | C11 | H9 | H11 | 120.0° | 119.9° |
| C10 | C11 | H10 | H11 | 120.0° | 119.9° |
| C11 | C10 | C12 | H12 | 48.8° | 56.9° |
| C11 | C10 | C12 | H13 | 168.0° | 176.9° |
| S18 | C17 | N20 | N16 | 179.8° | 179.7° |
| S18 | C17 | N20 | C06 | 179.9° | 179.7° |
| S18 | C17 | N16 | C08 | 179.1° | 179.7° |
| C17 | S18 | C19 | H16 | 180.0° | 60.0° |
| C17 | S18 | C19 | H17 | 60.0° | 60.0° |
| C17 | S18 | C19 | H18 | 60.0° | 180.0° |
| C19 | S18 | C17 | N20 | 168.6° | 179.7° |
| C19 | S18 | C17 | N16 | 11.6° | 0.0° |
| S18 | C19 | H16 | H17 | 120.0° | 119.9° |
| S18 | C19 | H16 | H18 | 120.0° | 120.1° |
| S18 | C19 | H17 | H18 | 120.0° | 120.0° |
| C17 | N20 | C06 | C03 | 179.2° | 180.0° |
| C17 | N20 | C06 | C07 | 0.7° | 0.0° |
| N20 | C17 | N16 | C08 | 1.2° | 0.0° |
| N20 | C06 | C03 | C05 | 176.7° | 66.1° |
| N20 | C06 | C03 | C07 | 178.5° | 180.0° |
| N20 | C06 | C03 | C04 | 106.8° | 2.5° |
| C06 | N20 | C17 | N16 | 0.3° | 0.0° |
| N20 | C06 | C07 | C08 | 0.8° | 0.0° |
| N20 | C06 | C07 | H8 | 179.1° | 180.0° |
| C05 | C03 | C06 | C04 | 76.4° | 68.6° |
| C03 | C05 | C04 | H6 | 109.5° | 107.5° |
| C03 | C05 | C04 | H7 | 109.5° | 107.5° |
| C05 | C03 | C06 | C07 | 4.8° | 113.9° |
| C05 | C03 | C04 | H4 | 109.5° | 107.5° |
| C05 | C03 | C04 | H5 | 109.5° | 107.5° |
| C03 | C05 | H6 | H7 | 144.7° | 145.7° |
| C03 | C06 | C07 | C08 | 179.3° | 180.0° |
| C06 | C03 | C04 | H4 | 5.7° | 0.0° |
| C06 | C03 | C04 | H5 | 146.7° | 145.0° |
| C06 | C03 | C05 | H6 | 122.0° | 145.0° |
| C06 | C03 | C05 | H7 | 19.1° | 0.0° |
| C03 | C06 | C07 | H8 | 0.7° | 0.0° |
| C04 | C03 | C06 | C07 | 71.6° | 177.5° |
| C03 | C04 | H4 | H5 | 144.7° | 145.7° |
| C05 | C04 | H4 | H5 | 144.6° | 145.7° |
| C04 | C05 | H6 | H7 | 144.7° | 145.7° |
| C17 | N16 | C08 | C07 | 0.9° | 0.0° |
| C17 | N16 | C08 | N09 | 179.5° | 180.0° |
| C06 | C07 | C08 | N16 | 0.0° | 0.0° |
| C06 | C07 | C08 | H8 | 180.0° | 180.0° |
| C06 | C07 | C08 | N09 | 179.5° | 179.9° |
| N16 | C08 | C07 | N09 | 179.5° | 180.0° |
| N16 | C08 | N09 | C10 | 18.6° | 0.0° |
| N16 | C08 | N09 | C15 | 166.3° | 123.6° |
| N16 | C08 | C07 | H8 | 180.0° | 180.0° |
| C07 | C08 | N09 | C10 | 161.0° | 180.0° |
| C07 | C08 | N09 | C15 | 13.2° | 56.3° |
| C08 | N09 | C10 | C15 | 151.4° | 123.8° |
| C08 | N09 | C10 | C12 | 154.8° | 177.6° |
| C08 | N09 | C15 | C14 | 151.1° | 177.6° |
| C08 | N09 | C10 | H1 | 34.6° | 57.7° |
| C08 | N09 | C15 | H2 | 31.4° | 62.5° |
| C08 | N09 | C15 | H3 | 89.2° | 57.6° |
| N09 | C08 | C07 | H8 | 0.5° | 0.1° |
| N09 | C10 | C12 | H1 | 120.7° | 119.9° |
| C10 | N09 | C15 | C14 | 59.2° | 58.6° |
| N09 | C10 | C12 | O13 | 48.3° | 56.9° |
| C10 | N09 | C15 | H2 | 178.9° | 61.4° |
| C10 | N09 | C15 | H3 | 60.5° | 178.6° |
| N09 | C10 | C11 | H9 | 180.0° | 59.9° |
| N09 | C10 | C11 | H10 | 60.0° | 180.0° |
| N09 | C10 | C11 | H11 | 60.0° | 60.0° |
| N09 | C10 | C12 | H12 | 168.7° | 176.8° |
| N09 | C10 | C12 | H13 | 72.1° | 63.1° |
| C12 | C10 | N09 | C15 | 53.8° | 58.6° |
| C10 | C12 | O13 | H12 | 120.4° | 119.9° |
| C10 | C12 | O13 | H13 | 120.4° | 119.9° |
| C10 | C12 | O13 | C14 | 52.4° | 58.7° |
| C12 | C10 | C11 | H9 | 58.5° | 179.7° |
| C12 | C10 | C11 | H10 | 61.5° | 60.2° |
| C12 | C10 | C11 | H11 | 178.4° | 59.8° |
| C10 | C12 | H12 | H13 | 118.8° | 120.0° |
| N09 | C15 | C14 | H2 | 119.7° | 119.9° |
| N09 | C15 | C14 | H3 | 119.7° | 120.0° |
| N09 | C15 | C14 | O13 | 60.3° | 56.9° |
| C15 | N09 | C10 | H1 | 174.0° | 178.5° |
| N09 | C15 | H2 | H3 | 121.0° | 120.1° |
| N09 | C15 | C14 | H14 | 59.8° | 63.1° |
| N09 | C15 | C14 | H15 | 179.6° | 176.8° |
| C15 | C14 | O13 | C12 | 58.8° | 58.7° |
| C15 | C14 | O13 | H14 | 120.1° | 120.0° |
| C15 | C14 | O13 | H15 | 120.1° | 119.9° |
| C14 | C15 | H2 | H3 | 120.9° | 120.1° |
| C15 | C14 | H14 | H15 | 119.7° | 120.0° |
| O13 | C12 | C10 | H1 | 169.0° | 176.8° |
| O13 | C12 | H12 | H13 | 118.8° | 120.2° |
| C12 | O13 | C14 | H14 | 61.3° | 61.3° |
| C12 | O13 | C14 | H15 | 178.8° | 178.6° |
| O13 | C14 | C15 | H2 | 180.0° | 63.0° |
| O13 | C14 | C15 | H3 | 59.4° | 176.8° |
| C14 | O13 | C12 | H12 | 172.7° | 178.6° |
| C14 | O13 | C12 | H13 | 68.0° | 61.2° |
| O13 | C14 | H14 | H15 | 119.8° | 120.2° |
| H1 | C10 | C11 | H9 | 61.1° | 60.2° |
| H1 | C10 | C11 | H10 | 178.9° | 59.9° |
| H1 | C10 | C11 | H11 | 58.9° | 179.9° |
| H1 | C10 | C12 | H12 | 70.6° | 63.3° |
| H1 | C10 | C12 | H13 | 48.6° | 56.8° |
| H2 | C15 | C14 | H14 | 59.9° | 177.0° |
| H2 | C15 | C14 | H15 | 59.9° | 56.9° |
| H3 | C15 | C14 | H14 | 179.5° | 56.9° |
| H3 | C15 | C14 | H15 | 60.7° | 63.2° |
| H4 | C04 | C05 | H6 | 141.0° | 145.0° |
| H4 | C04 | C05 | H7 | 0.1° | 0.0° |
| H5 | C04 | C05 | H6 | 0.1° | 0.0° |
| H5 | C04 | C05 | H7 | 140.9° | 145.0° |
| H9 | C11 | H10 | H11 | 120.0° | 120.1° |
| H16 | C19 | H17 | H18 | 120.0° | 120.0° |
