VK6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.55Å | 1.50Å | |
| C13 | N14 | sing | 1.47Å | 1.49Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.54Å | 1.54Å | |
| C24 | N14 | sing | 1.47Å | 1.52Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C02 | O01 | doub | 1.21Å | 1.26Å | |
| C02 | O27 | sing | 1.34Å | 1.26Å | |
| C03 | C04 | sing | 1.51Å | 1.53Å | |
| C04 | C07 | doub | 1.33Å | 1.44Å | |
| C04 | N05 | sing | 1.36Å | 1.57Å | |
| C07 | S08 | sing | 1.77Å | 1.52Å | |
| C09 | N05 | sing | 1.35Å | 1.43Å | |
| C09 | N10 | doub | 1.33Å | 1.28Å | |
| C09 | S08 | sing | 1.72Å | 1.55Å | |
| C11 | C12 | sing | 1.51Å | 1.57Å | |
| C11 | N10 | sing | 1.33Å | 1.48Å | |
| C11 | O26 | doub | 1.22Å | 1.18Å | |
| C12 | C25 | sing | 1.55Å | 1.50Å | |
| C16 | S15 | sing | 1.76Å | 1.82Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| N05 | O06 | sing | 1.42Å | 1.40Å | |
| N14 | S15 | sing | 1.66Å | 1.71Å | |
| O22 | S15 | doub | 1.42Å | 1.46Å | |
| O23 | S15 | doub | 1.42Å | 1.47Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| O06 | H17 | sing | 0.97Å | 0.95Å | |
| O27 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | N14 | 104.9° | 104.8° |
| C13 | C12 | C11 | 114.9° | 110.9° |
| C13 | C12 | C25 | 106.0° | 101.6° |
| C12 | C13 | H1 | 110.6° | 110.3° |
| C12 | C13 | H2 | 110.6° | 110.4° |
| C13 | C12 | H12 | 107.4° | 111.0° |
| C13 | N14 | C24 | 105.9° | 108.7° |
| C13 | N14 | S15 | 127.5° | 125.6° |
| N14 | C13 | H1 | 110.6° | 110.4° |
| N14 | C13 | H2 | 110.6° | 110.4° |
| C16 | C17 | C18 | 120.2° | 120.0° |
| C17 | C16 | C21 | 119.8° | 119.9° |
| C17 | C16 | S15 | 119.9° | 120.0° |
| C16 | C17 | H3 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C18 | C17 | H3 | 119.9° | 120.0° |
| C17 | C18 | H13 | 119.9° | 120.0° |
| C21 | C20 | C19 | 120.2° | 120.0° |
| C20 | C21 | C16 | 119.7° | 120.0° |
| C21 | C20 | H4 | 119.9° | 120.0° |
| C20 | C21 | H5 | 120.2° | 120.0° |
| C20 | C19 | C18 | 119.9° | 120.0° |
| C19 | C20 | H4 | 119.9° | 120.0° |
| C20 | C19 | H14 | 120.0° | 120.0° |
| C21 | C16 | S15 | 120.2° | 120.0° |
| C16 | C21 | H5 | 120.1° | 119.9° |
| C25 | C24 | N14 | 106.6° | 107.3° |
| C24 | C25 | C12 | 104.5° | 103.0° |
| C25 | C24 | H6 | 110.2° | 109.9° |
| C25 | C24 | H7 | 110.2° | 109.9° |
| C24 | C25 | H15 | 110.7° | 110.7° |
| C24 | C25 | H16 | 110.7° | 110.7° |
| C24 | N14 | S15 | 118.4° | 125.7° |
| N14 | C24 | H6 | 110.2° | 109.9° |
| N14 | C24 | H7 | 110.2° | 109.9° |
| C03 | C02 | O01 | 119.8° | 120.0° |
| C03 | C02 | O27 | 120.2° | 120.0° |
| C02 | C03 | C04 | 113.1° | 109.5° |
| C02 | C03 | H8 | 108.6° | 109.4° |
| C02 | C03 | H9 | 108.5° | 109.5° |
| O01 | C02 | O27 | 120.0° | 120.0° |
| C02 | O27 | H18 | 109.5° | 117.0° |
| C03 | C04 | C07 | 126.4° | 121.6° |
| C03 | C04 | N05 | 125.5° | 121.5° |
| C04 | C03 | H8 | 108.5° | 109.5° |
| C04 | C03 | H9 | 108.5° | 109.5° |
| C07 | C04 | N05 | 108.1° | 116.8° |
| C04 | C07 | S08 | 107.1° | 105.5° |
| C04 | C07 | H10 | 126.4° | 127.3° |
| C04 | N05 | C09 | 110.1° | 117.0° |
| C04 | N05 | O06 | 122.5° | 121.5° |
| C07 | S08 | C09 | 109.4° | 94.8° |
| S08 | C07 | H10 | 126.4° | 127.3° |
| N05 | C09 | N10 | 127.0° | 127.1° |
| N05 | C09 | S08 | 105.1° | 105.8° |
| C09 | N05 | O06 | 127.4° | 121.5° |
| N10 | C09 | S08 | 127.9° | 127.1° |
| C09 | N10 | C11 | 126.0° | 120.0° |
| C12 | C11 | N10 | 124.7° | 119.9° |
| C12 | C11 | O26 | 114.6° | 120.1° |
| C11 | C12 | C25 | 114.1° | 111.1° |
| C11 | C12 | H12 | 106.5° | 110.9° |
| N10 | C11 | O26 | 120.6° | 120.0° |
| C25 | C12 | H12 | 107.5° | 111.1° |
| C12 | C25 | H15 | 110.7° | 110.8° |
| C12 | C25 | H16 | 110.7° | 110.7° |
| C16 | S15 | N14 | 108.4° | 107.2° |
| C16 | S15 | O22 | 109.4° | 106.4° |
| C16 | S15 | O23 | 109.8° | 106.4° |
| C19 | C18 | H13 | 119.9° | 120.0° |
| C18 | C19 | H14 | 120.1° | 120.0° |
| N05 | O06 | H17 | 109.5° | 114.0° |
| N14 | S15 | O22 | 109.4° | 106.4° |
| N14 | S15 | O23 | 110.6° | 106.4° |
| O22 | S15 | O23 | 109.2° | 123.1° |
| H1 | C13 | H2 | 109.5° | 110.4° |
| H6 | C24 | H7 | 109.5° | 110.0° |
| H8 | C03 | H9 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | N14 | H1 | 119.3° | 118.8° |
| C12 | C13 | N14 | H2 | 119.3° | 118.9° |
| C13 | C12 | C25 | C24 | 27.9° | 35.5° |
| C12 | C13 | N14 | C24 | 28.9° | 24.1° |
| C13 | C12 | C11 | C25 | 122.8° | 112.2° |
| C13 | C12 | C11 | H12 | 118.8° | 123.8° |
| C13 | C12 | C11 | N10 | 8.5° | 180.0° |
| C13 | C12 | C11 | O26 | 169.8° | 0.0° |
| C13 | C12 | C25 | H12 | 114.6° | 118.1° |
| C12 | C13 | N14 | S15 | 118.4° | 155.9° |
| C12 | C13 | H1 | H2 | 122.1° | 122.3° |
| C13 | C12 | C25 | H15 | 147.1° | 82.9° |
| C13 | C12 | C25 | H16 | 91.3° | 153.8° |
| C13 | N14 | C24 | C25 | 11.7° | 1.1° |
| C13 | N14 | C24 | S15 | 150.9° | 180.0° |
| N14 | C13 | C12 | C11 | 163.0° | 81.1° |
| N14 | C13 | C12 | C25 | 35.9° | 37.0° |
| C13 | N14 | S15 | C16 | 75.2° | 90.0° |
| C13 | N14 | S15 | O22 | 44.0° | 23.6° |
| C13 | N14 | S15 | O23 | 164.3° | 156.4° |
| N14 | C13 | H1 | H2 | 122.1° | 122.4° |
| C13 | N14 | C24 | H6 | 107.8° | 120.5° |
| C13 | N14 | C24 | H7 | 131.3° | 118.3° |
| N14 | C13 | C12 | H12 | 78.8° | 155.2° |
| C16 | C17 | C18 | H3 | 180.0° | 179.7° |
| C17 | C16 | C21 | C20 | 0.1° | 0.0° |
| C17 | C16 | C21 | S15 | 179.8° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C17 | C16 | S15 | N14 | 98.7° | 90.0° |
| C17 | C16 | S15 | O22 | 20.6° | 156.4° |
| C17 | C16 | S15 | O23 | 140.4° | 23.6° |
| C17 | C16 | C21 | H5 | 179.9° | 180.0° |
| C16 | C17 | C18 | H13 | 179.9° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.1° |
| C18 | C17 | C16 | C21 | 0.2° | 0.0° |
| C18 | C17 | C16 | S15 | 180.0° | 180.0° |
| C17 | C18 | C19 | H13 | 180.0° | 179.9° |
| C17 | C18 | C19 | H14 | 180.0° | 180.0° |
| C21 | C20 | C19 | H4 | 180.0° | 179.9° |
| C20 | C21 | C16 | H5 | 180.0° | 179.9° |
| C20 | C21 | C16 | S15 | 179.9° | 180.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.1° |
| C21 | C20 | C19 | H14 | 179.9° | 180.0° |
| C19 | C20 | C21 | C16 | 0.0° | 0.1° |
| C20 | C19 | C18 | H14 | 180.0° | 179.9° |
| C19 | C20 | C21 | H5 | 180.0° | 180.0° |
| C20 | C19 | C18 | H13 | 180.0° | 180.0° |
| C21 | C16 | S15 | N14 | 81.1° | 90.0° |
| C21 | C16 | S15 | O22 | 159.6° | 23.5° |
| C21 | C16 | S15 | O23 | 39.8° | 156.4° |
| C21 | C16 | C17 | H3 | 179.8° | 179.7° |
| C16 | C21 | C20 | H4 | 180.0° | 180.0° |
| C25 | C24 | N14 | H6 | 119.5° | 119.5° |
| C25 | C24 | N14 | H7 | 119.5° | 119.4° |
| C24 | C25 | C12 | C11 | 155.4° | 82.5° |
| C24 | C25 | C12 | H15 | 119.2° | 118.4° |
| C24 | C25 | C12 | H16 | 119.2° | 118.3° |
| C25 | C24 | N14 | S15 | 139.1° | 179.0° |
| C25 | C24 | H6 | H7 | 121.3° | 121.1° |
| C24 | C25 | C12 | H12 | 86.7° | 153.6° |
| C24 | C25 | H15 | H16 | 122.3° | 123.2° |
| N14 | C24 | C25 | C12 | 9.9° | 22.2° |
| C24 | N14 | S15 | C16 | 68.6° | 90.0° |
| C24 | N14 | S15 | O22 | 172.2° | 156.4° |
| C24 | N14 | S15 | O23 | 51.9° | 23.5° |
| C24 | N14 | C13 | H1 | 148.2° | 94.7° |
| C24 | N14 | C13 | H2 | 90.4° | 143.0° |
| N14 | C24 | H6 | H7 | 121.4° | 121.1° |
| N14 | C24 | C25 | H15 | 129.1° | 96.2° |
| N14 | C24 | C25 | H16 | 109.3° | 140.5° |
| C03 | C02 | O01 | O27 | 179.0° | 180.0° |
| C02 | C03 | C04 | H8 | 120.6° | 119.9° |
| C02 | C03 | C04 | H9 | 120.5° | 120.0° |
| C02 | C03 | C04 | C07 | 20.2° | 95.0° |
| C02 | C03 | C04 | N05 | 160.2° | 85.3° |
| C02 | C03 | H8 | H9 | 118.3° | 120.0° |
| C03 | C02 | O27 | H18 | 179.0° | 180.0° |
| O01 | C02 | C03 | C04 | 100.3° | 0.0° |
| O01 | C02 | C03 | H8 | 20.2° | 120.0° |
| O01 | C02 | C03 | H9 | 139.1° | 120.0° |
| O01 | C02 | O27 | H18 | 0.0° | 0.0° |
| O27 | C02 | C03 | C04 | 80.7° | 179.9° |
| O27 | C02 | C03 | H8 | 158.8° | 60.0° |
| O27 | C02 | C03 | H9 | 39.8° | 60.0° |
| C03 | C04 | C07 | N05 | 179.7° | 179.7° |
| C03 | C04 | C07 | S08 | 179.9° | 180.0° |
| C03 | C04 | N05 | C09 | 179.9° | 180.0° |
| C03 | C04 | N05 | O06 | 0.3° | 0.0° |
| C04 | C03 | H8 | H9 | 118.3° | 120.0° |
| C03 | C04 | C07 | H10 | 0.2° | 0.1° |
| C04 | C07 | S08 | H10 | 180.0° | 179.8° |
| C07 | C04 | N05 | C09 | 0.2° | 0.3° |
| C04 | C07 | S08 | C09 | 0.1° | 0.2° |
| C07 | C04 | N05 | O06 | 180.0° | 179.7° |
| C07 | C04 | C03 | H8 | 140.7° | 24.9° |
| C07 | C04 | C03 | H9 | 100.4° | 144.9° |
| N05 | C04 | C07 | S08 | 0.2° | 0.3° |
| C04 | N05 | C09 | O06 | 179.8° | 179.9° |
| C04 | N05 | C09 | N10 | 179.9° | 180.0° |
| C04 | N05 | C09 | S08 | 0.1° | 0.1° |
| N05 | C04 | C03 | H8 | 39.6° | 154.8° |
| N05 | C04 | C03 | H9 | 79.3° | 34.8° |
| N05 | C04 | C07 | H10 | 179.9° | 179.8° |
| C04 | N05 | O06 | H17 | 180.0° | 180.0° |
| C07 | S08 | C09 | N05 | 0.0° | 0.1° |
| C07 | S08 | C09 | N10 | 180.0° | 179.9° |
| N05 | C09 | N10 | S08 | 180.0° | 179.9° |
| N05 | C09 | N10 | C11 | 179.5° | 180.0° |
| C09 | N05 | O06 | H17 | 0.2° | 0.1° |
| C09 | N10 | C11 | C12 | 179.0° | 180.0° |
| C09 | N10 | C11 | O26 | 0.9° | 0.0° |
| N10 | C09 | N05 | O06 | 0.1° | 0.1° |
| S08 | C09 | N10 | C11 | 0.4° | 0.1° |
| S08 | C09 | N05 | O06 | 179.9° | 179.9° |
| C09 | S08 | C07 | H10 | 179.9° | 179.9° |
| C12 | C11 | N10 | O26 | 178.2° | 180.0° |
| C11 | C12 | C25 | H12 | 117.9° | 123.9° |
| C11 | C12 | C13 | H1 | 77.8° | 160.0° |
| C11 | C12 | C13 | H2 | 43.7° | 37.8° |
| C11 | C12 | C25 | H15 | 85.3° | 159.1° |
| C11 | C12 | C25 | H16 | 36.2° | 35.8° |
| N10 | C11 | C12 | C25 | 114.4° | 67.8° |
| N10 | C11 | C12 | H12 | 127.2° | 56.2° |
| O26 | C11 | C12 | C25 | 67.4° | 112.2° |
| O26 | C11 | C12 | H12 | 51.0° | 123.8° |
| C25 | C12 | C13 | H1 | 155.2° | 81.9° |
| C25 | C12 | C13 | H2 | 83.4° | 155.9° |
| C12 | C25 | C24 | H6 | 129.5° | 97.2° |
| C12 | C25 | C24 | H7 | 109.6° | 141.6° |
| C12 | C25 | H15 | H16 | 122.3° | 123.2° |
| C16 | S15 | N14 | O22 | 119.2° | 113.6° |
| C16 | S15 | N14 | O23 | 120.4° | 113.5° |
| C16 | S15 | O22 | O23 | 120.2° | 122.9° |
| S15 | C16 | C17 | H3 | 0.0° | 0.3° |
| S15 | C16 | C21 | H5 | 0.0° | 0.0° |
| C19 | C18 | C17 | H3 | 179.9° | 179.7° |
| C18 | C19 | C20 | H4 | 179.9° | 180.0° |
| N14 | S15 | O22 | O23 | 121.2° | 122.9° |
| S15 | N14 | C13 | H1 | 0.9° | 85.3° |
| S15 | N14 | C13 | H2 | 122.3° | 37.1° |
| S15 | N14 | C24 | H6 | 101.3° | 59.5° |
| S15 | N14 | C24 | H7 | 19.6° | 61.6° |
| H1 | C13 | C12 | H12 | 40.5° | 36.3° |
| H2 | C13 | C12 | H12 | 162.0° | 86.0° |
| H3 | C17 | C18 | H13 | 0.1° | 0.3° |
| H4 | C20 | C21 | H5 | 0.0° | 0.1° |
| H4 | C20 | C19 | H14 | 0.1° | 0.0° |
| H6 | C24 | C25 | H15 | 111.3° | 144.3° |
| H6 | C24 | C25 | H16 | 10.3° | 21.1° |
| H7 | C24 | C25 | H15 | 9.6° | 23.2° |
| H7 | C24 | C25 | H16 | 131.2° | 100.1° |
| H12 | C12 | C25 | H15 | 32.5° | 35.1° |
| H12 | C12 | C25 | H16 | 154.1° | 88.1° |
| H13 | C18 | C19 | H14 | 0.0° | 0.0° |
