Y4L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C5 | sing | 1.74Å | 1.73Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.40Å | 1.43Å | |
| N1 | S | sing | 1.66Å | 1.64Å | |
| S | O | doub | 1.42Å | 1.42Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | N | sing | 1.66Å | 1.59Å | |
| N | C1 | sing | 1.46Å | 1.47Å | |
| N | C | sing | 1.47Å | 1.47Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C5 | C4 | 119.3° | 119.9° |
| CL | C5 | C6 | 119.2° | 119.9° |
| C4 | C5 | C6 | 121.5° | 120.1° |
| C5 | C4 | C3 | 118.9° | 120.0° |
| C5 | C4 | H4 | 120.5° | 119.9° |
| C5 | C6 | C7 | 119.2° | 120.1° |
| C5 | C6 | H6 | 120.4° | 120.0° |
| C4 | C3 | C2 | 120.4° | 119.9° |
| C3 | C4 | H4 | 120.5° | 120.0° |
| C4 | C3 | H3 | 119.8° | 120.0° |
| C3 | C2 | C7 | 119.4° | 119.9° |
| C3 | C2 | N1 | 121.2° | 120.0° |
| C2 | C3 | H3 | 119.8° | 120.1° |
| C6 | C7 | C2 | 120.5° | 119.9° |
| C7 | C6 | H6 | 120.4° | 119.9° |
| C6 | C7 | H7 | 119.7° | 120.0° |
| C7 | C2 | N1 | 119.4° | 120.1° |
| C2 | C7 | H7 | 119.8° | 120.1° |
| C2 | N1 | S | 127.0° | 120.0° |
| C2 | N1 | H1 | 104.9° | 120.0° |
| N1 | S | O | 107.7° | 106.4° |
| N1 | S | O1 | 111.5° | 106.4° |
| N1 | S | N | 102.0° | 107.2° |
| S | N1 | H1 | 104.9° | 120.0° |
| O | S | O1 | 118.5° | 123.2° |
| O | S | N | 107.8° | 106.4° |
| O1 | S | N | 108.1° | 106.4° |
| S | N | C1 | 116.1° | 120.0° |
| S | N | C | 116.2° | 120.0° |
| C1 | N | C | 114.0° | 120.0° |
| N | C1 | H11C | 109.5° | 109.5° |
| N | C1 | H12C | 109.5° | 109.4° |
| N | C1 | H13C | 109.5° | 109.5° |
| N | C | HC1 | 109.5° | 109.4° |
| N | C | HC2 | 109.4° | 109.4° |
| N | C | HC3 | 109.5° | 109.4° |
| H11C | C1 | H12C | 109.4° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| HC1 | C | HC2 | 109.5° | 109.5° |
| HC1 | C | HC3 | 109.5° | 109.5° |
| HC2 | C | HC3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C5 | C4 | C6 | 179.6° | 179.7° |
| CL | C5 | C4 | C3 | 176.7° | 180.0° |
| CL | C5 | C6 | C7 | 178.0° | 179.9° |
| CL | C5 | C4 | H4 | 3.3° | 0.0° |
| CL | C5 | C6 | H6 | 2.0° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 1.9° | 0.0° |
| C4 | C5 | C6 | C7 | 1.6° | 0.2° |
| C4 | C5 | C6 | H6 | 178.4° | 179.7° |
| C5 | C4 | C3 | H3 | 178.1° | 180.0° |
| C6 | C5 | C4 | C3 | 2.9° | 0.3° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.7° | 0.1° |
| C6 | C5 | C4 | H4 | 177.1° | 179.7° |
| C5 | C6 | C7 | H7 | 179.3° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.4° | 0.3° |
| C4 | C3 | C2 | N1 | 179.3° | 180.0° |
| C3 | C2 | C7 | C6 | 1.7° | 0.4° |
| C3 | C2 | C7 | N1 | 179.7° | 179.7° |
| C3 | C2 | N1 | S | 172.5° | 133.8° |
| C2 | C3 | C4 | H4 | 178.1° | 180.0° |
| C3 | C2 | C7 | H7 | 178.3° | 179.7° |
| C3 | C2 | N1 | H1 | 65.1° | 46.3° |
| C6 | C7 | C2 | H7 | 180.0° | 179.9° |
| C6 | C7 | C2 | N1 | 178.0° | 180.0° |
| C7 | C2 | N1 | S | 7.1° | 45.9° |
| C2 | C7 | C6 | H6 | 179.2° | 180.0° |
| C7 | C2 | C3 | H3 | 179.6° | 179.7° |
| C7 | C2 | N1 | H1 | 115.2° | 134.0° |
| C2 | N1 | S | H1 | 122.3° | 179.9° |
| C2 | N1 | S | O | 165.0° | 52.2° |
| C2 | N1 | S | O1 | 33.4° | 174.9° |
| C2 | N1 | S | N | 81.8° | 61.4° |
| N1 | C2 | C3 | H3 | 0.7° | 0.0° |
| N1 | C2 | C7 | H7 | 2.0° | 0.1° |
| N1 | S | O | O1 | 127.7° | 122.9° |
| N1 | S | O | N | 109.3° | 114.1° |
| N1 | S | O1 | N | 111.3° | 114.1° |
| N1 | S | N | C1 | 169.4° | 95.7° |
| N1 | S | N | C | 52.4° | 84.4° |
| O | S | O1 | N | 122.9° | 123.0° |
| O | S | N | C1 | 77.4° | 17.8° |
| O | S | N | C | 60.8° | 162.1° |
| O | S | N1 | H1 | 72.7° | 127.7° |
| O1 | S | N | C1 | 51.8° | 150.8° |
| O1 | S | N | C | 170.0° | 29.2° |
| O1 | S | N1 | H1 | 155.7° | 5.2° |
| S | N | C1 | C | 139.1° | 180.0° |
| N | S | N1 | H1 | 40.6° | 118.7° |
| S | N | C1 | H11C | 180.0° | 90.0° |
| S | N | C1 | H12C | 60.0° | 150.0° |
| S | N | C1 | H13C | 60.0° | 30.0° |
| S | N | C | HC1 | 180.0° | 4.9° |
| S | N | C | HC2 | 60.0° | 115.1° |
| S | N | C | HC3 | 60.0° | 124.9° |
| N | C1 | H11C | H12C | 120.0° | 120.0° |
| N | C1 | H11C | H13C | 120.0° | 120.0° |
| N | C1 | H12C | H13C | 120.0° | 120.0° |
| C1 | N | C | HC1 | 40.9° | 175.1° |
| C1 | N | C | HC2 | 160.9° | 65.0° |
| C1 | N | C | HC3 | 79.1° | 55.0° |
| C | N | C1 | H11C | 40.9° | 90.0° |
| C | N | C1 | H12C | 79.1° | 30.0° |
| C | N | C1 | H13C | 160.9° | 150.0° |
| N | C | HC1 | HC2 | 120.0° | 119.9° |
| N | C | HC1 | HC3 | 120.0° | 120.0° |
| N | C | HC2 | HC3 | 120.0° | 120.0° |
| H4 | C4 | C3 | H3 | 1.9° | 0.1° |
| H6 | C6 | C7 | H7 | 0.8° | 0.1° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.1° |
