9K6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C9 | doub | 1.31Å | 1.33Å | Aromatic |
| N2 | C10 | sing | 1.33Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.36Å | Aromatic |
| C8 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | C7 | sing | 1.42Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.37Å | Aromatic |
| C11 | C7 | sing | 1.41Å | 1.41Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.43Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C6 | C14 | sing | 1.36Å | 1.37Å | Aromatic |
| C6 | S | sing | 1.76Å | 1.77Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| C | C2 | sing | 1.55Å | 1.52Å | |
| C | N | sing | 1.43Å | 1.49Å | |
| S | N | sing | 1.66Å | 1.62Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| C2 | N1 | sing | 1.49Å | 1.46Å | |
| N | C5 | sing | 1.50Å | 1.48Å | |
| N1 | C3 | sing | 1.44Å | 1.48Å | |
| C5 | C4 | sing | 1.47Å | 1.52Å | |
| C3 | C4 | sing | 1.52Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H14 | sing | 1.01Å | 1.00Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N2 | C10 | 117.5° | 122.8° |
| N2 | C9 | C8 | 124.1° | 119.8° |
| N2 | C9 | H19 | 117.9° | 120.0° |
| N2 | C10 | C11 | 124.2° | 121.9° |
| N2 | C10 | H5 | 117.9° | 119.0° |
| C9 | C8 | C12 | 123.4° | 122.0° |
| C9 | C8 | C7 | 117.2° | 118.6° |
| C8 | C9 | H19 | 117.9° | 120.1° |
| C10 | C11 | C7 | 119.3° | 118.7° |
| C11 | C10 | H5 | 117.9° | 119.1° |
| C10 | C11 | H20 | 120.4° | 120.6° |
| C12 | C8 | C7 | 119.5° | 119.3° |
| C8 | C12 | C13 | 120.6° | 119.5° |
| C8 | C12 | H18 | 119.7° | 120.3° |
| C8 | C7 | C11 | 117.7° | 118.2° |
| C8 | C7 | C6 | 117.5° | 119.6° |
| C12 | C13 | C14 | 120.8° | 121.0° |
| C12 | C13 | H6 | 119.6° | 119.5° |
| C13 | C12 | H18 | 119.7° | 120.2° |
| C11 | C7 | C6 | 124.8° | 122.2° |
| C7 | C11 | H20 | 120.4° | 120.7° |
| C7 | C6 | C14 | 121.2° | 119.5° |
| C7 | C6 | S | 121.6° | 120.3° |
| C13 | C14 | C6 | 120.4° | 121.0° |
| C14 | C13 | H6 | 119.6° | 119.5° |
| C13 | C14 | H17 | 119.8° | 119.4° |
| C1 | C | C2 | 108.3° | 108.1° |
| C1 | C | N | 112.0° | 108.2° |
| C | C1 | H7 | 109.5° | 109.5° |
| C | C1 | H8 | 109.5° | 109.4° |
| C | C1 | H9 | 109.5° | 109.5° |
| C1 | C | H16 | 107.3° | 108.0° |
| C14 | C6 | S | 117.2° | 120.3° |
| C6 | C14 | H17 | 119.8° | 119.5° |
| C6 | S | O | 108.1° | 106.4° |
| C6 | S | N | 106.8° | 107.2° |
| C6 | S | O1 | 107.4° | 106.3° |
| O | S | N | 106.2° | 106.5° |
| O | S | O1 | 120.0° | 123.2° |
| C2 | C | N | 113.9° | 116.0° |
| C | C2 | N1 | 117.3° | 110.7° |
| C | C2 | H3 | 107.5° | 109.3° |
| C | C2 | H4 | 107.5° | 109.2° |
| C2 | C | H16 | 107.4° | 108.2° |
| C | N | S | 120.8° | 120.4° |
| C | N | C5 | 118.6° | 119.0° |
| N | C | H16 | 107.7° | 108.0° |
| N | S | O1 | 107.7° | 106.4° |
| S | N | C5 | 120.6° | 120.6° |
| C2 | N1 | C3 | 113.4° | 112.0° |
| N1 | C2 | H3 | 107.5° | 109.2° |
| N1 | C2 | H4 | 107.5° | 109.3° |
| C2 | N1 | H14 | 108.5° | 111.0° |
| N | C5 | C4 | 112.8° | 107.0° |
| N | C5 | H10 | 108.6° | 110.0° |
| N | C5 | H11 | 108.7° | 110.0° |
| N1 | C3 | C4 | 115.0° | 105.4° |
| N1 | C3 | H12 | 108.1° | 110.2° |
| N1 | C3 | H13 | 108.1° | 110.4° |
| C3 | N1 | H14 | 108.5° | 111.0° |
| C5 | C4 | C3 | 113.8° | 113.9° |
| C5 | C4 | H1 | 108.4° | 108.6° |
| C5 | C4 | H2 | 108.4° | 108.6° |
| C4 | C5 | H10 | 108.6° | 110.0° |
| C4 | C5 | H11 | 108.6° | 109.9° |
| C3 | C4 | H1 | 108.4° | 108.6° |
| C3 | C4 | H2 | 108.4° | 108.6° |
| C4 | C3 | H12 | 108.0° | 110.3° |
| C4 | C3 | H13 | 108.0° | 110.3° |
| H1 | C4 | H2 | 109.5° | 108.5° |
| H3 | C2 | H4 | 109.5° | 109.2° |
| H7 | C1 | H8 | 109.4° | 109.4° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.4° | 109.4° |
| H10 | C5 | H11 | 109.5° | 110.0° |
| H12 | C3 | H13 | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C9 | C8 | H19 | 180.0° | 179.9° |
| C9 | N2 | C10 | C11 | 0.8° | 0.3° |
| N2 | C9 | C8 | C12 | 179.6° | 180.0° |
| N2 | C9 | C8 | C7 | 0.3° | 0.3° |
| C9 | N2 | C10 | H5 | 179.1° | 180.0° |
| C10 | N2 | C9 | C8 | 1.2° | 0.0° |
| N2 | C10 | C11 | H5 | 180.0° | 179.8° |
| N2 | C10 | C11 | C7 | 0.9° | 0.3° |
| C10 | N2 | C9 | H19 | 178.8° | 180.0° |
| N2 | C10 | C11 | H20 | 179.0° | 180.0° |
| C9 | C8 | C12 | C7 | 179.3° | 179.8° |
| C9 | C8 | C12 | C13 | 177.8° | 179.9° |
| C9 | C8 | C7 | C11 | 2.0° | 0.2° |
| C9 | C8 | C7 | C6 | 176.7° | 179.7° |
| C9 | C8 | C12 | H18 | 2.2° | 0.2° |
| C10 | C11 | C7 | C8 | 2.3° | 0.0° |
| C10 | C11 | C7 | H20 | 180.0° | 179.7° |
| C10 | C11 | C7 | C6 | 176.3° | 179.9° |
| C8 | C12 | C13 | H18 | 180.0° | 179.9° |
| C12 | C8 | C7 | C11 | 178.7° | 180.0° |
| C12 | C8 | C7 | C6 | 2.6° | 0.1° |
| C8 | C12 | C13 | C14 | 0.5° | 0.5° |
| C8 | C12 | C13 | H6 | 179.5° | 180.0° |
| C12 | C8 | C9 | H19 | 0.4° | 0.0° |
| C7 | C8 | C12 | C13 | 1.5° | 0.2° |
| C8 | C7 | C11 | C6 | 178.6° | 179.9° |
| C8 | C7 | C6 | C14 | 1.9° | 0.1° |
| C8 | C7 | C6 | S | 176.6° | 179.7° |
| C7 | C8 | C12 | H18 | 178.5° | 179.9° |
| C7 | C8 | C9 | H19 | 179.7° | 179.8° |
| C8 | C7 | C11 | H20 | 177.6° | 179.7° |
| C12 | C13 | C14 | H6 | 180.0° | 179.5° |
| C12 | C13 | C14 | C6 | 1.3° | 0.5° |
| C12 | C13 | C14 | H17 | 178.7° | 179.5° |
| C11 | C7 | C6 | C14 | 179.5° | 180.0° |
| C11 | C7 | C6 | S | 2.0° | 0.2° |
| C7 | C11 | C10 | H5 | 179.1° | 180.0° |
| C7 | C6 | C14 | C13 | 0.0° | 0.2° |
| C7 | C6 | C14 | S | 178.6° | 179.8° |
| C7 | C6 | S | O | 45.5° | 176.3° |
| C7 | C6 | S | N | 159.3° | 70.1° |
| C7 | C6 | S | O1 | 85.4° | 43.5° |
| C7 | C6 | C14 | H17 | 180.0° | 179.8° |
| C6 | C7 | C11 | H20 | 3.7° | 0.3° |
| C13 | C14 | C6 | H17 | 180.0° | 180.0° |
| C13 | C14 | C6 | S | 178.6° | 180.0° |
| C14 | C13 | C12 | H18 | 179.5° | 179.6° |
| C1 | C | C2 | N | 125.3° | 121.7° |
| C1 | C | C2 | H16 | 115.6° | 116.7° |
| C1 | C | N | H16 | 117.8° | 116.7° |
| C1 | C | N | S | 82.3° | 30.7° |
| C1 | C | C2 | N1 | 173.6° | 163.4° |
| C1 | C | N | C5 | 94.6° | 149.0° |
| C1 | C | C2 | H3 | 65.2° | 43.1° |
| C1 | C | C2 | H4 | 52.5° | 76.2° |
| C | C1 | H7 | H8 | 120.0° | 120.0° |
| C | C1 | H7 | H9 | 120.0° | 120.1° |
| C | C1 | H8 | H9 | 120.0° | 120.0° |
| C14 | C6 | S | O | 133.1° | 3.4° |
| C14 | C6 | S | N | 19.3° | 110.1° |
| C14 | C6 | S | O1 | 96.0° | 136.3° |
| C6 | C14 | C13 | H6 | 178.7° | 179.9° |
| C6 | S | O | N | 114.3° | 114.1° |
| C6 | S | O | O1 | 123.5° | 122.8° |
| C6 | S | N | C | 90.1° | 70.9° |
| C6 | S | N | O1 | 115.1° | 113.5° |
| C6 | S | N | C5 | 86.8° | 109.4° |
| S | C6 | C14 | H17 | 1.4° | 0.0° |
| O | S | N | C | 25.1° | 42.7° |
| O | S | N | O1 | 129.7° | 133.0° |
| O | S | N | C5 | 158.0° | 137.1° |
| C2 | C | N | H16 | 118.9° | 121.6° |
| C2 | C | N | S | 154.4° | 90.9° |
| C | C2 | N1 | H3 | 121.1° | 120.3° |
| C | C2 | N1 | H4 | 121.1° | 120.3° |
| C2 | C | N | C5 | 28.7° | 89.3° |
| C | C2 | N1 | C3 | 88.4° | 39.0° |
| C | C2 | H3 | H4 | 116.5° | 119.4° |
| C2 | C | C1 | H7 | 180.0° | 63.1° |
| C2 | C | C1 | H8 | 60.0° | 176.9° |
| C2 | C | C1 | H9 | 60.0° | 57.0° |
| C | C2 | N1 | H14 | 32.2° | 163.7° |
| C | N | S | C5 | 176.9° | 179.7° |
| C | N | S | O1 | 154.8° | 175.6° |
| N | C | C2 | N1 | 48.4° | 41.7° |
| C | N | C5 | C4 | 83.4° | 68.8° |
| N | C | C2 | H3 | 169.5° | 78.6° |
| N | C | C2 | H4 | 72.8° | 162.1° |
| N | C | C1 | H7 | 53.6° | 170.5° |
| N | C | C1 | H8 | 66.4° | 50.5° |
| N | C | C1 | H9 | 173.6° | 69.5° |
| C | N | C5 | H10 | 37.2° | 50.6° |
| C | N | C5 | H11 | 156.2° | 171.9° |
| S | N | C5 | C4 | 99.7° | 111.5° |
| S | N | C5 | H10 | 139.8° | 129.1° |
| S | N | C5 | H11 | 20.8° | 7.9° |
| S | N | C | H16 | 35.4° | 147.5° |
| O1 | S | N | C5 | 28.3° | 4.1° |
| C2 | N1 | C3 | H14 | 120.6° | 124.7° |
| C2 | N1 | C3 | C4 | 69.6° | 98.7° |
| N1 | C2 | H3 | H4 | 116.4° | 119.4° |
| C2 | N1 | C3 | H12 | 169.6° | 142.3° |
| C2 | N1 | C3 | H13 | 51.2° | 20.4° |
| N1 | C2 | C | H16 | 70.8° | 79.8° |
| N | C5 | C4 | H10 | 120.5° | 119.5° |
| N | C5 | C4 | H11 | 120.5° | 119.3° |
| N | C5 | C4 | C3 | 76.4° | 58.1° |
| N | C5 | C4 | H1 | 163.0° | 63.0° |
| N | C5 | C4 | H2 | 44.3° | 179.2° |
| N | C5 | H10 | H11 | 118.5° | 121.2° |
| C5 | N | C | H16 | 147.6° | 32.3° |
| N1 | C3 | C4 | C5 | 57.7° | 90.3° |
| N1 | C3 | C4 | H12 | 120.8° | 118.9° |
| N1 | C3 | C4 | H13 | 120.8° | 119.2° |
| N1 | C3 | C4 | H1 | 178.3° | 30.8° |
| N1 | C3 | C4 | H2 | 62.9° | 148.6° |
| C3 | N1 | C2 | H3 | 150.5° | 159.3° |
| C3 | N1 | C2 | H4 | 32.8° | 81.3° |
| N1 | C3 | H12 | H13 | 117.5° | 122.0° |
| C5 | C4 | C3 | H1 | 120.7° | 121.1° |
| C5 | C4 | C3 | H2 | 120.6° | 121.1° |
| C5 | C4 | H1 | H2 | 118.0° | 117.8° |
| C4 | C5 | H10 | H11 | 118.5° | 121.2° |
| C5 | C4 | C3 | H12 | 178.5° | 150.8° |
| C5 | C4 | C3 | H13 | 63.1° | 28.8° |
| C3 | C4 | H1 | H2 | 118.0° | 117.8° |
| C3 | C4 | C5 | H10 | 44.1° | 61.3° |
| C3 | C4 | C5 | H11 | 163.1° | 177.5° |
| C4 | C3 | H12 | H13 | 117.4° | 122.0° |
| C4 | C3 | N1 | H14 | 51.0° | 136.5° |
| H1 | C4 | C5 | H10 | 76.5° | 177.6° |
| H1 | C4 | C5 | H11 | 42.5° | 56.4° |
| H1 | C4 | C3 | H12 | 60.8° | 88.1° |
| H1 | C4 | C3 | H13 | 57.5° | 150.0° |
| H2 | C4 | C5 | H10 | 164.8° | 59.7° |
| H2 | C4 | C5 | H11 | 76.2° | 61.4° |
| H2 | C4 | C3 | H12 | 57.9° | 29.7° |
| H2 | C4 | C3 | H13 | 176.2° | 92.2° |
| H3 | C2 | N1 | H14 | 88.9° | 75.9° |
| H3 | C2 | C | H16 | 50.4° | 159.8° |
| H4 | C2 | N1 | H14 | 153.4° | 43.4° |
| H4 | C2 | C | H16 | 168.1° | 40.5° |
| H5 | C10 | C11 | H20 | 0.9° | 0.3° |
| H6 | C13 | C14 | H17 | 1.3° | 0.0° |
| H6 | C13 | C12 | H18 | 0.5° | 0.1° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
| H7 | C1 | C | H16 | 64.4° | 53.7° |
| H8 | C1 | C | H16 | 175.6° | 66.3° |
| H9 | C1 | C | H16 | 55.6° | 173.8° |
| H12 | C3 | N1 | H14 | 69.8° | 17.6° |
| H13 | C3 | N1 | H14 | 171.8° | 104.3° |
