K7P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O2 | C3 | sing | 1.43Å | 1.42Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | O6 | sing | 1.43Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C | O | sing | 1.43Å | 1.45Å | |
| O6 | C5 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O3 | sing | 1.43Å | 1.42Å | |
| C5 | S | sing | 1.81Å | 1.81Å | |
| S | C6 | sing | 1.76Å | 1.78Å | |
| C6 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | S1 | sing | 1.76Å | 1.76Å | |
| N | S1 | sing | 1.66Å | 1.60Å | |
| O4 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O5 | doub | 1.42Å | 1.44Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| O3 | H10 | sing | 0.97Å | 0.95Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| O | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C1 | 112.4° | 109.5° |
| O1 | C2 | C3 | 110.5° | 109.5° |
| C2 | O1 | H2 | 109.5° | 114.0° |
| O1 | C2 | H6 | 109.1° | 109.6° |
| C1 | C2 | C3 | 109.0° | 109.1° |
| C2 | C1 | C | 113.5° | 109.5° |
| C2 | C1 | O6 | 110.3° | 109.4° |
| C2 | C1 | H5 | 107.4° | 109.5° |
| C1 | C2 | H6 | 107.8° | 109.5° |
| C2 | C3 | O2 | 112.2° | 109.5° |
| C2 | C3 | C4 | 108.7° | 109.0° |
| C3 | C2 | H6 | 107.9° | 109.6° |
| C2 | C3 | H7 | 107.2° | 109.6° |
| O2 | C3 | C4 | 112.7° | 109.5° |
| C3 | O2 | H3 | 109.5° | 114.0° |
| O2 | C3 | H7 | 108.5° | 109.5° |
| C | C1 | O6 | 109.9° | 109.5° |
| C1 | C | O | 119.0° | 109.5° |
| C | C1 | H5 | 107.4° | 109.5° |
| C1 | C | H15 | 107.0° | 109.5° |
| C1 | C | H16 | 107.0° | 109.5° |
| C1 | O6 | C5 | 120.6° | 114.0° |
| O6 | C1 | H5 | 108.3° | 109.5° |
| C3 | C4 | C5 | 106.0° | 109.1° |
| C3 | C4 | O3 | 109.4° | 109.5° |
| C4 | C3 | H7 | 107.2° | 109.6° |
| C3 | C4 | H8 | 109.7° | 109.5° |
| O | C | H15 | 107.0° | 109.5° |
| O | C | H16 | 107.0° | 109.5° |
| C | O | H17 | 109.5° | 114.0° |
| O6 | C5 | C4 | 112.0° | 109.4° |
| O6 | C5 | S | 102.6° | 109.4° |
| O6 | C5 | H9 | 111.4° | 109.5° |
| C5 | C4 | O3 | 110.9° | 109.5° |
| C4 | C5 | S | 113.6° | 109.4° |
| C5 | C4 | H8 | 109.6° | 109.5° |
| C4 | C5 | H9 | 110.2° | 109.5° |
| O3 | C4 | H8 | 111.1° | 109.6° |
| C4 | O3 | H10 | 109.5° | 114.0° |
| C5 | S | C6 | 117.7° | 103.0° |
| S | C5 | H9 | 106.9° | 109.5° |
| S | C6 | C11 | 106.8° | 120.1° |
| S | C6 | C7 | 132.9° | 120.1° |
| C11 | C6 | C7 | 119.9° | 119.8° |
| C6 | C11 | C10 | 120.6° | 119.9° |
| C6 | C11 | H14 | 119.7° | 120.0° |
| C6 | C7 | C8 | 119.9° | 120.0° |
| C6 | C7 | H4 | 120.1° | 120.1° |
| C11 | C10 | C9 | 119.3° | 120.1° |
| C11 | C10 | H13 | 120.3° | 120.0° |
| C10 | C11 | H14 | 119.7° | 120.0° |
| C7 | C8 | C9 | 119.2° | 120.0° |
| C7 | C8 | H1 | 120.4° | 120.0° |
| C8 | C7 | H4 | 120.1° | 120.0° |
| C10 | C9 | C8 | 120.8° | 120.2° |
| C10 | C9 | S1 | 117.8° | 120.0° |
| C9 | C10 | H13 | 120.3° | 119.9° |
| C8 | C9 | S1 | 121.3° | 119.9° |
| C9 | C8 | H1 | 120.4° | 120.0° |
| C9 | S1 | N | 111.3° | 107.2° |
| C9 | S1 | O4 | 106.6° | 106.4° |
| C9 | S1 | O5 | 107.1° | 106.4° |
| N | S1 | O4 | 105.9° | 106.4° |
| N | S1 | O5 | 106.7° | 106.4° |
| S1 | N | H11 | 109.5° | 120.0° |
| S1 | N | H12 | 109.5° | 120.0° |
| O4 | S1 | O5 | 119.3° | 123.2° |
| H11 | N | H12 | 109.5° | 120.0° |
| H15 | C | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C1 | C3 | 122.8° | 119.8° |
| O1 | C2 | C1 | H6 | 120.3° | 120.2° |
| O1 | C2 | C3 | H6 | 119.3° | 120.2° |
| O1 | C2 | C3 | O2 | 49.7° | 63.3° |
| O1 | C2 | C1 | C | 109.5° | 62.6° |
| O1 | C2 | C1 | O6 | 126.8° | 177.5° |
| O1 | C2 | C3 | C4 | 175.0° | 176.9° |
| O1 | C2 | C1 | H5 | 9.0° | 57.5° |
| O1 | C2 | C3 | H7 | 69.4° | 56.9° |
| C1 | C2 | C3 | H6 | 116.8° | 119.9° |
| C1 | C2 | C3 | O2 | 173.6° | 176.8° |
| C2 | C1 | C | O6 | 124.0° | 119.9° |
| C2 | C1 | C | H5 | 118.5° | 120.1° |
| C2 | C1 | O6 | H5 | 117.2° | 120.0° |
| C1 | C2 | C3 | C4 | 61.1° | 57.0° |
| C2 | C1 | C | O | 160.5° | 175.1° |
| C2 | C1 | O6 | C5 | 48.6° | 61.2° |
| C1 | C2 | O1 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | H7 | 54.6° | 63.0° |
| C2 | C1 | C | H15 | 39.2° | 55.0° |
| C2 | C1 | C | H16 | 78.1° | 64.9° |
| C2 | C3 | O2 | C4 | 123.1° | 119.5° |
| C2 | C3 | O2 | H7 | 118.3° | 120.2° |
| C3 | C2 | C1 | C | 127.7° | 177.6° |
| C3 | C2 | C1 | O6 | 4.0° | 57.7° |
| C2 | C3 | C4 | H7 | 115.6° | 120.0° |
| C2 | C3 | C4 | C5 | 69.3° | 57.0° |
| C2 | C3 | C4 | O3 | 171.1° | 176.9° |
| C3 | C2 | O1 | H2 | 58.0° | 60.4° |
| C2 | C3 | O2 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | H5 | 113.8° | 62.3° |
| C2 | C3 | C4 | H8 | 49.0° | 62.9° |
| O2 | C3 | C4 | H7 | 119.3° | 120.2° |
| O2 | C3 | C4 | C5 | 165.7° | 176.9° |
| O2 | C3 | C4 | O3 | 46.1° | 63.3° |
| O2 | C3 | C2 | H6 | 69.6° | 56.9° |
| O2 | C3 | C4 | H8 | 76.1° | 57.0° |
| C | C1 | O6 | H5 | 117.0° | 120.0° |
| C1 | C | O | H15 | 121.3° | 120.1° |
| C1 | C | O | H16 | 121.3° | 120.0° |
| C | C1 | O6 | C5 | 77.3° | 178.8° |
| C | C1 | C2 | H6 | 10.9° | 57.6° |
| C1 | C | H15 | H16 | 115.7° | 120.0° |
| C1 | C | O | H17 | 180.0° | 179.9° |
| O6 | C1 | C | O | 75.5° | 65.0° |
| C1 | O6 | C5 | C4 | 40.0° | 61.2° |
| C1 | O6 | C5 | S | 82.2° | 178.9° |
| O6 | C1 | C2 | H6 | 112.9° | 62.3° |
| C1 | O6 | C5 | H9 | 163.8° | 58.9° |
| O6 | C1 | C | H15 | 163.2° | 175.0° |
| O6 | C1 | C | H16 | 45.9° | 55.0° |
| C3 | C4 | C5 | O6 | 19.4° | 57.7° |
| C3 | C4 | C5 | O3 | 118.7° | 119.9° |
| C3 | C4 | C5 | H8 | 118.3° | 119.9° |
| C3 | C4 | O3 | H8 | 121.3° | 120.2° |
| C3 | C4 | C5 | S | 135.0° | 177.6° |
| C4 | C3 | O2 | H3 | 56.9° | 60.5° |
| C4 | C3 | C2 | H6 | 55.7° | 62.9° |
| C3 | C4 | C5 | H9 | 105.1° | 62.4° |
| C3 | C4 | O3 | H10 | 180.0° | 180.0° |
| O | C | C1 | H5 | 42.0° | 55.0° |
| O | C | H15 | H16 | 115.7° | 120.0° |
| O6 | C5 | C4 | S | 115.6° | 119.9° |
| O6 | C5 | C4 | H9 | 124.5° | 120.1° |
| O6 | C5 | C4 | O3 | 138.0° | 177.5° |
| O6 | C5 | S | H9 | 117.3° | 120.0° |
| O6 | C5 | S | C6 | 156.6° | 65.1° |
| C5 | O6 | C1 | H5 | 165.7° | 58.8° |
| O6 | C5 | C4 | H8 | 98.9° | 62.2° |
| C5 | C4 | O3 | H8 | 122.2° | 120.2° |
| C4 | C5 | S | H9 | 121.7° | 120.0° |
| C4 | C5 | S | C6 | 35.6° | 175.0° |
| C5 | C4 | C3 | H7 | 46.3° | 63.0° |
| C5 | C4 | O3 | H10 | 63.5° | 60.4° |
| O3 | C4 | C5 | S | 106.3° | 62.5° |
| O3 | C4 | C3 | H7 | 73.2° | 56.9° |
| O3 | C4 | C5 | H9 | 13.5° | 57.5° |
| C5 | S | C6 | C11 | 163.2° | 180.0° |
| C5 | S | C6 | C7 | 9.4° | 0.0° |
| S | C5 | C4 | H8 | 16.7° | 57.7° |
| S | C6 | C11 | C7 | 173.8° | 180.0° |
| S | C6 | C11 | C10 | 170.2° | 179.7° |
| S | C6 | C7 | C8 | 168.2° | 180.0° |
| S | C6 | C7 | H4 | 11.9° | 0.0° |
| C6 | S | C5 | H9 | 86.1° | 55.0° |
| S | C6 | C11 | H14 | 9.8° | 0.0° |
| C6 | C11 | C10 | H14 | 180.0° | 179.7° |
| C11 | C6 | C7 | C8 | 3.7° | 0.0° |
| C6 | C11 | C10 | C9 | 0.0° | 0.6° |
| C11 | C6 | C7 | H4 | 176.3° | 180.0° |
| C6 | C11 | C10 | H13 | 180.0° | 180.0° |
| C7 | C6 | C11 | C10 | 3.5° | 0.3° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C6 | C7 | C8 | H1 | 179.7° | 179.7° |
| C7 | C6 | C11 | H14 | 176.5° | 180.0° |
| C11 | C10 | C9 | H13 | 180.0° | 179.4° |
| C11 | C10 | C9 | C8 | 3.4° | 0.6° |
| C11 | C10 | C9 | S1 | 178.4° | 179.5° |
| C7 | C8 | C9 | C10 | 3.3° | 0.3° |
| C7 | C8 | C9 | H1 | 180.0° | 179.7° |
| C7 | C8 | C9 | S1 | 178.6° | 179.8° |
| C10 | C9 | C8 | S1 | 178.1° | 179.9° |
| C10 | C9 | S1 | N | 132.0° | 89.9° |
| C10 | C9 | S1 | O4 | 17.0° | 23.6° |
| C10 | C9 | S1 | O5 | 111.8° | 156.5° |
| C10 | C9 | C8 | H1 | 176.7° | 180.0° |
| C9 | C10 | C11 | H14 | 180.0° | 179.7° |
| C8 | C9 | S1 | N | 49.8° | 90.0° |
| C8 | C9 | S1 | O4 | 164.8° | 156.5° |
| C8 | C9 | S1 | O5 | 66.4° | 23.6° |
| C9 | C8 | C7 | H4 | 179.7° | 180.0° |
| C8 | C9 | C10 | H13 | 176.6° | 180.0° |
| C9 | S1 | N | O4 | 115.4° | 113.5° |
| C9 | S1 | N | O5 | 116.5° | 113.6° |
| C9 | S1 | O4 | O5 | 121.3° | 123.0° |
| S1 | C9 | C8 | H1 | 1.5° | 0.1° |
| C9 | S1 | N | H11 | 180.0° | 120.0° |
| C9 | S1 | N | H12 | 60.0° | 60.0° |
| S1 | C9 | C10 | H13 | 1.6° | 0.1° |
| N | S1 | O4 | O5 | 120.1° | 122.9° |
| S1 | N | H11 | H12 | 120.0° | 180.0° |
| O4 | S1 | N | H11 | 64.6° | 126.5° |
| O4 | S1 | N | H12 | 55.4° | 53.5° |
| O5 | S1 | N | H11 | 63.4° | 6.4° |
| O5 | S1 | N | H12 | 176.5° | 173.6° |
| H1 | C8 | C7 | H4 | 0.3° | 0.3° |
| H2 | O1 | C2 | H6 | 60.5° | 59.9° |
| H3 | O2 | C3 | H7 | 61.7° | 59.8° |
| H5 | C1 | C2 | H6 | 129.4° | 177.7° |
| H5 | C1 | C | H15 | 79.3° | 65.0° |
| H5 | C1 | C | H16 | 163.4° | 175.0° |
| H6 | C2 | C3 | H7 | 171.4° | 177.1° |
| H7 | C3 | C4 | H8 | 164.6° | 177.1° |
| H8 | C4 | C5 | H9 | 136.5° | 177.7° |
| H8 | C4 | O3 | H10 | 58.7° | 59.8° |
| H13 | C10 | C11 | H14 | 0.0° | 0.4° |
| H15 | C | O | H17 | 58.7° | 59.9° |
| H16 | C | O | H17 | 58.6° | 60.1° |
