L07
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | C5 | sing | 1.71Å | 1.75Å | Aromatic |
| S | C3 | sing | 1.76Å | 1.69Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C9 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C5 | N2 | doub | 1.28Å | 1.37Å | Aromatic |
| C2 | C3 | doub | 1.46Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.42Å | 1.50Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.48Å | Aromatic |
| N2 | C4 | sing | 1.34Å | 1.37Å | Aromatic |
| C12 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | N1 | doub | 1.34Å | 1.36Å | Aromatic |
| C4 | C | doub | 1.43Å | 1.49Å | Aromatic |
| N1 | C | sing | 1.31Å | 1.35Å | Aromatic |
| C | N | sing | 1.38Å | 1.36Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | S | C3 | 90.3° | 90.7° |
| S | C5 | C6 | 118.1° | 124.3° |
| S | C5 | N2 | 112.9° | 111.3° |
| S | C3 | C2 | 128.5° | 133.1° |
| S | C3 | C4 | 112.5° | 108.2° |
| C10 | C9 | C2 | 119.7° | 119.6° |
| C9 | C10 | C11 | 121.6° | 120.8° |
| C9 | C10 | H8 | 119.2° | 119.6° |
| C10 | C9 | H9 | 120.1° | 120.3° |
| C9 | C2 | C3 | 122.4° | 121.8° |
| C9 | C2 | C1 | 119.0° | 119.8° |
| C2 | C9 | H9 | 120.2° | 120.1° |
| C10 | C11 | C12 | 120.8° | 121.0° |
| C10 | C11 | H7 | 119.6° | 119.5° |
| C11 | C10 | H8 | 119.2° | 119.6° |
| C7 | C6 | C5 | 111.5° | 109.5° |
| C6 | C7 | C8 | 113.7° | 109.4° |
| C6 | C7 | H1 | 108.4° | 109.5° |
| C6 | C7 | H2 | 108.4° | 109.5° |
| C7 | C6 | H12 | 108.9° | 109.4° |
| C7 | C6 | H13 | 108.9° | 109.4° |
| C6 | C5 | N2 | 129.0° | 124.4° |
| C5 | C6 | H12 | 109.0° | 109.5° |
| C5 | C6 | H13 | 109.0° | 109.5° |
| C8 | C7 | H1 | 108.4° | 109.5° |
| C8 | C7 | H2 | 108.4° | 109.5° |
| C7 | C8 | H3 | 109.5° | 109.5° |
| C7 | C8 | H4 | 109.5° | 109.5° |
| C7 | C8 | H5 | 109.4° | 109.5° |
| C5 | N2 | C4 | 114.4° | 117.9° |
| C3 | C2 | C1 | 118.6° | 118.4° |
| C2 | C3 | C4 | 119.0° | 118.7° |
| C2 | C1 | C12 | 118.7° | 119.0° |
| C2 | C1 | N1 | 121.7° | 119.8° |
| C11 | C12 | C1 | 120.3° | 119.8° |
| C11 | C12 | H6 | 119.9° | 120.1° |
| C12 | C11 | H7 | 119.6° | 119.5° |
| C3 | C4 | N2 | 109.9° | 111.8° |
| C3 | C4 | C | 118.6° | 117.9° |
| N2 | C4 | C | 131.5° | 130.3° |
| C12 | C1 | N1 | 119.6° | 121.2° |
| C1 | C12 | H6 | 119.9° | 120.1° |
| C1 | N1 | C | 122.0° | 122.9° |
| C4 | C | N1 | 120.0° | 122.3° |
| C4 | C | N | 119.2° | 118.8° |
| N1 | C | N | 120.8° | 118.9° |
| C | N | H10 | 109.5° | 120.0° |
| C | N | H11 | 109.5° | 120.0° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H3 | C8 | H5 | 109.5° | 109.4° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H10 | N | H11 | 109.5° | 120.0° |
| H12 | C6 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | C5 | C6 | C7 | 52.6° | 90.0° |
| S | C5 | C6 | N2 | 179.5° | 179.9° |
| C5 | S | C3 | C2 | 179.6° | 180.0° |
| C5 | S | C3 | C4 | 0.5° | 0.0° |
| S | C5 | N2 | C4 | 0.6° | 0.0° |
| S | C5 | C6 | H12 | 172.9° | 150.1° |
| S | C5 | C6 | H13 | 67.7° | 30.0° |
| S | C3 | C2 | C9 | 0.3° | 0.0° |
| C3 | S | C5 | C6 | 179.8° | 179.9° |
| C3 | S | C5 | N2 | 0.6° | 0.0° |
| S | C3 | C2 | C4 | 179.9° | 179.9° |
| S | C3 | C2 | C1 | 179.9° | 180.0° |
| S | C3 | C4 | N2 | 0.2° | 0.0° |
| S | C3 | C4 | C | 179.4° | 180.0° |
| C10 | C9 | C2 | H9 | 180.0° | 179.9° |
| C9 | C10 | C11 | H8 | 180.0° | 180.0° |
| C10 | C9 | C2 | C3 | 179.6° | 180.0° |
| C10 | C9 | C2 | C1 | 0.1° | 0.0° |
| C9 | C10 | C11 | C12 | 0.5° | 0.0° |
| C9 | C10 | C11 | H7 | 179.5° | 180.0° |
| C2 | C9 | C10 | C11 | 0.5° | 0.0° |
| C9 | C2 | C3 | C1 | 179.5° | 180.0° |
| C9 | C2 | C3 | C4 | 179.8° | 179.9° |
| C9 | C2 | C1 | C12 | 0.6° | 0.0° |
| C9 | C2 | C1 | N1 | 179.8° | 179.7° |
| C2 | C9 | C10 | H8 | 179.5° | 179.9° |
| C10 | C11 | C12 | H7 | 180.0° | 180.0° |
| C10 | C11 | C12 | C1 | 0.1° | 0.1° |
| C10 | C11 | C12 | H6 | 179.9° | 179.7° |
| C11 | C10 | C9 | H9 | 179.5° | 180.0° |
| C7 | C6 | C5 | H12 | 120.3° | 120.0° |
| C7 | C6 | C5 | H13 | 120.3° | 120.0° |
| C6 | C7 | C8 | H1 | 120.6° | 120.0° |
| C6 | C7 | C8 | H2 | 120.6° | 120.0° |
| C7 | C6 | C5 | N2 | 127.9° | 90.0° |
| C6 | C7 | H1 | H2 | 118.1° | 120.0° |
| C6 | C7 | C8 | H3 | 180.0° | 60.0° |
| C6 | C7 | C8 | H4 | 60.0° | 60.0° |
| C6 | C7 | C8 | H5 | 60.0° | 180.0° |
| C7 | C6 | H12 | H13 | 119.0° | 120.0° |
| C5 | C6 | C7 | C8 | 49.4° | 180.0° |
| C6 | C5 | N2 | C4 | 179.9° | 180.0° |
| C5 | C6 | C7 | H1 | 71.2° | 60.0° |
| C5 | C6 | C7 | H2 | 170.0° | 60.0° |
| C5 | C6 | H12 | H13 | 119.1° | 120.1° |
| C8 | C7 | H1 | H2 | 118.1° | 120.0° |
| C7 | C8 | H3 | H4 | 120.0° | 120.0° |
| C7 | C8 | H3 | H5 | 120.0° | 120.0° |
| C7 | C8 | H4 | H5 | 120.0° | 120.0° |
| C8 | C7 | C6 | H12 | 70.9° | 60.0° |
| C8 | C7 | C6 | H13 | 169.7° | 60.0° |
| C5 | N2 | C4 | C3 | 0.3° | 0.0° |
| C5 | N2 | C4 | C | 179.8° | 180.0° |
| N2 | C5 | C6 | H12 | 7.6° | 30.0° |
| N2 | C5 | C6 | H13 | 111.8° | 150.1° |
| C2 | C3 | C4 | N2 | 179.9° | 180.0° |
| C3 | C2 | C1 | C12 | 179.8° | 180.0° |
| C3 | C2 | C1 | N1 | 0.6° | 0.3° |
| C2 | C3 | C4 | C | 0.6° | 0.0° |
| C3 | C2 | C9 | H9 | 0.4° | 0.1° |
| C2 | C1 | C12 | C11 | 0.7° | 0.1° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C1 | C12 | N1 | 179.2° | 179.7° |
| C2 | C1 | N1 | C | 0.1° | 0.6° |
| C2 | C1 | C12 | H6 | 179.3° | 179.7° |
| C1 | C2 | C9 | H9 | 179.9° | 180.0° |
| C11 | C12 | C1 | H6 | 180.0° | 179.8° |
| C11 | C12 | C1 | N1 | 179.9° | 179.7° |
| C12 | C11 | C10 | H8 | 179.5° | 180.0° |
| C3 | C4 | N2 | C | 179.5° | 179.9° |
| C3 | C4 | C | N1 | 1.1° | 0.3° |
| C3 | C4 | C | N | 179.6° | 179.8° |
| N2 | C4 | C | N1 | 179.5° | 179.7° |
| N2 | C4 | C | N | 0.1° | 0.3° |
| C12 | C1 | N1 | C | 179.3° | 179.7° |
| C1 | C12 | C11 | H7 | 179.9° | 180.0° |
| C1 | N1 | C | C4 | 0.7° | 0.6° |
| C1 | N1 | C | N | 179.9° | 179.9° |
| N1 | C1 | C12 | H6 | 0.1° | 0.1° |
| C4 | C | N1 | N | 179.4° | 179.4° |
| C4 | C | N | H10 | 179.4° | 179.4° |
| C4 | C | N | H11 | 59.4° | 0.5° |
| N1 | C | N | H10 | 0.0° | 0.0° |
| N1 | C | N | H11 | 120.0° | 180.0° |
| C | N | H10 | H11 | 120.0° | 179.9° |
| H1 | C7 | C8 | H3 | 59.4° | 60.0° |
| H1 | C7 | C8 | H4 | 179.4° | 180.0° |
| H1 | C7 | C8 | H5 | 60.6° | 60.0° |
| H1 | C7 | C6 | H12 | 168.4° | 180.0° |
| H1 | C7 | C6 | H13 | 49.1° | 60.0° |
| H2 | C7 | C8 | H3 | 59.4° | 180.0° |
| H2 | C7 | C8 | H4 | 60.6° | 60.0° |
| H2 | C7 | C8 | H5 | 179.4° | 60.0° |
| H2 | C7 | C6 | H12 | 49.7° | 60.0° |
| H2 | C7 | C6 | H13 | 69.7° | 180.0° |
| H3 | C8 | H4 | H5 | 120.0° | 119.9° |
| H6 | C12 | C11 | H7 | 0.1° | 0.2° |
| H7 | C11 | C10 | H8 | 0.5° | 0.1° |
| H8 | C10 | C9 | H9 | 0.5° | 0.0° |
