6YP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C | sing | 1.53Å | 1.50Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | S | sing | 1.76Å | 1.77Å | |
| N | S | sing | 1.66Å | 1.55Å | |
| O | S | doub | 1.42Å | 1.44Å | |
| S | O1 | doub | 1.42Å | 1.44Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 112.9° | 109.5° |
| C3 | C4 | C5 | 120.9° | 120.1° |
| C3 | C4 | C9 | 121.0° | 120.0° |
| C4 | C3 | H9 | 108.6° | 109.5° |
| C4 | C3 | H10 | 108.6° | 109.4° |
| C3 | C2 | C1 | 114.8° | 109.5° |
| C3 | C2 | H1 | 108.1° | 109.5° |
| C3 | C2 | H2 | 108.1° | 109.5° |
| C2 | C3 | H9 | 108.6° | 109.5° |
| C2 | C3 | H10 | 108.6° | 109.5° |
| C2 | C1 | C | 111.5° | 109.5° |
| C1 | C2 | H1 | 108.1° | 109.5° |
| C1 | C2 | H2 | 108.1° | 109.5° |
| C2 | C1 | H11 | 108.9° | 109.4° |
| C2 | C1 | H12 | 109.0° | 109.5° |
| C | C1 | H11 | 108.9° | 109.4° |
| C | C1 | H12 | 108.9° | 109.4° |
| C1 | C | H13 | 109.5° | 109.4° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.4° | 109.5° |
| C5 | C4 | C9 | 118.1° | 120.0° |
| C4 | C5 | C6 | 121.4° | 120.0° |
| C4 | C5 | H4 | 119.3° | 120.0° |
| C4 | C9 | C8 | 121.4° | 120.0° |
| C4 | C9 | H8 | 119.3° | 120.0° |
| C5 | C6 | C7 | 119.7° | 120.0° |
| C5 | C6 | H3 | 120.2° | 120.0° |
| C6 | C5 | H4 | 119.3° | 120.0° |
| C9 | C8 | C7 | 119.7° | 120.0° |
| C9 | C8 | H5 | 120.1° | 120.0° |
| C8 | C9 | H8 | 119.3° | 120.0° |
| C6 | C7 | C8 | 119.6° | 120.0° |
| C6 | C7 | S | 120.2° | 120.0° |
| C7 | C6 | H3 | 120.1° | 120.0° |
| C8 | C7 | S | 120.2° | 120.0° |
| C7 | C8 | H5 | 120.1° | 120.0° |
| C7 | S | N | 106.3° | 107.2° |
| C7 | S | O | 106.0° | 106.4° |
| C7 | S | O1 | 106.3° | 106.4° |
| N | S | O | 111.3° | 106.4° |
| N | S | O1 | 110.6° | 106.4° |
| S | N | H6 | 109.5° | 120.0° |
| S | N | H7 | 109.5° | 120.0° |
| O | S | O1 | 115.5° | 123.1° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H6 | N | H7 | 109.4° | 120.0° |
| H9 | C3 | H10 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H13 | C | H14 | 109.4° | 109.4° |
| H13 | C | H15 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H9 | 120.5° | 120.1° |
| C4 | C3 | C2 | H10 | 120.5° | 119.9° |
| C4 | C3 | C2 | C1 | 178.8° | 180.0° |
| C3 | C4 | C5 | C9 | 179.5° | 179.7° |
| C3 | C4 | C5 | C6 | 179.2° | 179.7° |
| C3 | C4 | C9 | C8 | 178.9° | 179.7° |
| C4 | C3 | C2 | H1 | 60.5° | 59.9° |
| C4 | C3 | C2 | H2 | 58.0° | 60.0° |
| C3 | C4 | C5 | H4 | 0.8° | 0.3° |
| C3 | C4 | C9 | H8 | 1.1° | 0.3° |
| C4 | C3 | H9 | H10 | 118.5° | 120.0° |
| C3 | C2 | C1 | H1 | 120.8° | 120.0° |
| C3 | C2 | C1 | H2 | 120.8° | 120.0° |
| C3 | C2 | C1 | C | 177.7° | 180.0° |
| C2 | C3 | C4 | C5 | 100.0° | 90.0° |
| C2 | C3 | C4 | C9 | 79.5° | 90.3° |
| C3 | C2 | H1 | H2 | 117.6° | 120.0° |
| C2 | C3 | H9 | H10 | 118.4° | 120.0° |
| C3 | C2 | C1 | H11 | 57.4° | 60.0° |
| C3 | C2 | C1 | H12 | 62.0° | 60.0° |
| C2 | C1 | C | H11 | 120.3° | 119.9° |
| C2 | C1 | C | H12 | 120.3° | 120.1° |
| C1 | C2 | H1 | H2 | 117.6° | 120.0° |
| C1 | C2 | C3 | H9 | 58.2° | 60.0° |
| C1 | C2 | C3 | H10 | 60.7° | 60.0° |
| C2 | C1 | H11 | H12 | 119.1° | 120.1° |
| C2 | C1 | C | H13 | 180.0° | 60.0° |
| C2 | C1 | C | H14 | 60.0° | 59.9° |
| C2 | C1 | C | H15 | 60.0° | 180.0° |
| C | C1 | C2 | H1 | 61.5° | 60.0° |
| C | C1 | C2 | H2 | 57.0° | 59.9° |
| C | C1 | H11 | H12 | 119.0° | 120.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C5 | C4 | C9 | C8 | 0.6° | 0.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C5 | C4 | C9 | H8 | 179.4° | 180.0° |
| C5 | C4 | C3 | H9 | 139.5° | 150.0° |
| C5 | C4 | C3 | H10 | 20.5° | 30.0° |
| C9 | C4 | C5 | C6 | 0.3° | 0.0° |
| C4 | C9 | C8 | H8 | 180.0° | 180.0° |
| C4 | C9 | C8 | C7 | 0.6° | 0.0° |
| C9 | C4 | C5 | H4 | 179.7° | 180.0° |
| C4 | C9 | C8 | H5 | 179.4° | 180.0° |
| C9 | C4 | C3 | H9 | 41.0° | 29.7° |
| C9 | C4 | C3 | H10 | 160.0° | 149.7° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.1° | 0.1° |
| C5 | C6 | C7 | S | 178.9° | 179.9° |
| C9 | C8 | C7 | C6 | 0.4° | 0.1° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C9 | C8 | C7 | S | 179.2° | 180.0° |
| C6 | C7 | C8 | S | 178.8° | 179.9° |
| C6 | C7 | S | N | 133.2° | 90.1° |
| C6 | C7 | S | O | 14.6° | 156.4° |
| C6 | C7 | S | O1 | 108.9° | 23.5° |
| C7 | C6 | C5 | H4 | 179.9° | 180.0° |
| C6 | C7 | C8 | H5 | 179.6° | 180.0° |
| C8 | C7 | S | N | 48.0° | 90.0° |
| C8 | C7 | S | O | 166.6° | 23.5° |
| C8 | C7 | S | O1 | 69.9° | 156.4° |
| C8 | C7 | C6 | H3 | 179.9° | 180.0° |
| C7 | C8 | C9 | H8 | 179.4° | 179.9° |
| C7 | S | N | O | 115.0° | 113.5° |
| C7 | S | N | O1 | 115.1° | 113.6° |
| C7 | S | O | O1 | 117.5° | 123.0° |
| S | C7 | C6 | H3 | 1.1° | 0.1° |
| S | C7 | C8 | H5 | 0.8° | 0.0° |
| C7 | S | N | H6 | 180.0° | 120.0° |
| C7 | S | N | H7 | 60.0° | 60.0° |
| N | S | O | O1 | 127.3° | 123.0° |
| S | N | H6 | H7 | 120.0° | 179.9° |
| O | S | N | H6 | 64.9° | 126.5° |
| O | S | N | H7 | 55.0° | 53.6° |
| O1 | S | N | H6 | 65.0° | 6.4° |
| O1 | S | N | H7 | 175.1° | 173.6° |
| H1 | C2 | C3 | H9 | 179.0° | NaN° |
| H1 | C2 | C3 | H10 | 60.0° | 60.0° |
| H1 | C2 | C1 | H11 | 178.2° | 179.9° |
| H1 | C2 | C1 | H12 | 58.8° | 60.0° |
| H2 | C2 | C3 | H9 | 62.5° | 60.0° |
| H2 | C2 | C3 | H10 | 178.5° | 180.0° |
| H2 | C2 | C1 | H11 | 63.3° | 60.0° |
| H2 | C2 | C1 | H12 | 177.3° | 179.9° |
| H3 | C6 | C5 | H4 | 0.0° | 0.1° |
| H5 | C8 | C9 | H8 | 0.6° | 0.0° |
| H11 | C1 | C | H13 | 59.7° | 180.0° |
| H11 | C1 | C | H14 | 179.7° | 60.0° |
| H11 | C1 | C | H15 | 60.3° | 60.1° |
| H12 | C1 | C | H13 | 59.6° | 60.0° |
| H12 | C1 | C | H14 | 60.3° | 180.0° |
| H12 | C1 | C | H15 | 179.7° | 59.9° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
