P7M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.33Å | 1.34Å | Aromatic |
| BR | C8 | sing | 1.89Å | 1.86Å | |
| C6 | C5 | doub | 1.33Å | 1.36Å | Aromatic |
| C8 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C5 | S1 | sing | 1.76Å | 1.69Å | Aromatic |
| C5 | S | sing | 1.76Å | 1.53Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| S | N | sing | 1.66Å | 1.62Å | |
| O2 | C4 | doub | 1.22Å | 1.22Å | |
| N | C4 | sing | 1.35Å | 1.38Å | |
| C4 | C3 | sing | 1.48Å | 1.49Å | |
| CL1 | C2 | sing | 1.74Å | 1.73Å | |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C | sing | 1.39Å | 1.39Å | Aromatic |
| C | CL | sing | 1.74Å | 1.74Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 111.5° | 114.9° |
| C7 | C6 | C5 | 112.1° | 114.9° |
| C7 | C6 | H2 | 123.9° | 122.5° |
| C6 | C7 | H3 | 124.2° | 122.5° |
| C7 | C8 | BR | 127.3° | 125.2° |
| C7 | C8 | S1 | 113.8° | 109.6° |
| C8 | C7 | H3 | 124.3° | 122.6° |
| BR | C8 | S1 | 118.8° | 125.2° |
| C6 | C5 | S1 | 113.0° | 109.6° |
| C6 | C5 | S | 126.9° | 125.2° |
| C5 | C6 | H2 | 123.9° | 122.5° |
| C8 | S1 | C5 | 89.5° | 91.0° |
| S1 | C5 | S | 120.0° | 125.2° |
| C5 | S | O1 | 105.7° | 106.4° |
| C5 | S | O | 107.5° | 106.4° |
| C5 | S | N | 101.2° | 107.2° |
| O1 | S | O | 120.3° | 123.2° |
| O1 | S | N | 111.8° | 106.4° |
| O | S | N | 108.6° | 106.4° |
| S | N | C4 | 120.3° | 120.0° |
| S | N | H4 | 119.8° | 120.0° |
| O2 | C4 | N | 120.5° | 120.0° |
| O2 | C4 | C3 | 120.8° | 120.0° |
| N | C4 | C3 | 116.5° | 120.0° |
| C4 | N | H4 | 119.9° | 120.0° |
| C4 | C3 | C2 | 116.6° | 120.1° |
| C4 | C3 | C9 | 124.6° | 120.2° |
| CL1 | C2 | C3 | 119.9° | 120.1° |
| CL1 | C2 | C1 | 117.8° | 120.1° |
| C2 | C3 | C9 | 118.2° | 119.7° |
| C3 | C2 | C1 | 122.1° | 119.9° |
| C3 | C9 | C10 | 120.4° | 119.9° |
| C3 | C9 | H6 | 119.8° | 120.0° |
| C2 | C1 | C | 118.5° | 120.1° |
| C2 | C1 | H1 | 120.8° | 120.0° |
| C9 | C10 | C | 119.2° | 120.2° |
| C9 | C10 | H5 | 120.4° | 119.9° |
| C10 | C9 | H6 | 119.8° | 120.1° |
| C1 | C | C10 | 121.7° | 120.3° |
| C1 | C | CL | 118.4° | 119.9° |
| C | C1 | H1 | 120.7° | 119.9° |
| C10 | C | CL | 119.8° | 119.8° |
| C | C10 | H5 | 120.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | BR | 177.6° | 180.0° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C6 | C7 | C8 | S1 | 0.7° | 0.0° |
| C7 | C6 | C5 | S1 | 0.7° | 0.0° |
| C7 | C6 | C5 | S | 174.6° | 179.8° |
| C7 | C8 | BR | S1 | 178.2° | 180.0° |
| C8 | C7 | C6 | C5 | 0.9° | 0.0° |
| C7 | C8 | S1 | C5 | 0.3° | 0.0° |
| C8 | C7 | C6 | H2 | 179.2° | 179.9° |
| BR | C8 | S1 | C5 | 178.2° | 180.0° |
| BR | C8 | C7 | H3 | 2.4° | 0.0° |
| C6 | C5 | S1 | C8 | 0.2° | 0.0° |
| C6 | C5 | S1 | S | 175.7° | 179.8° |
| C6 | C5 | S | O1 | 8.7° | 23.8° |
| C6 | C5 | S | O | 138.3° | 156.8° |
| C6 | C5 | S | N | 107.9° | 89.7° |
| C5 | C6 | C7 | H3 | 179.1° | 180.0° |
| C8 | S1 | C5 | S | 175.4° | 179.8° |
| S1 | C8 | C7 | H3 | 179.3° | 180.0° |
| S1 | C5 | S | O1 | 176.3° | 156.4° |
| S1 | C5 | S | O | 46.7° | 23.5° |
| S1 | C5 | S | N | 67.1° | 90.0° |
| S1 | C5 | C6 | H2 | 179.3° | 179.9° |
| C5 | S | O1 | O | 121.7° | 123.0° |
| C5 | S | O1 | N | 109.2° | 114.1° |
| C5 | S | O | N | 108.7° | 114.1° |
| C5 | S | N | C4 | 55.1° | 65.0° |
| S | C5 | C6 | H2 | 5.3° | 0.3° |
| C5 | S | N | H4 | 124.9° | 115.0° |
| O1 | S | O | N | 130.5° | 123.0° |
| O1 | S | N | C4 | 57.0° | 178.5° |
| O1 | S | N | H4 | 123.0° | 1.4° |
| O | S | N | C4 | 168.1° | 48.5° |
| O | S | N | H4 | 12.0° | 131.5° |
| S | N | C4 | O2 | 8.9° | 0.0° |
| S | N | C4 | H4 | 180.0° | 180.0° |
| S | N | C4 | C3 | 172.4° | 180.0° |
| O2 | C4 | N | C3 | 163.5° | 180.0° |
| O2 | C4 | C3 | C2 | 32.2° | 0.0° |
| O2 | C4 | C3 | C9 | 138.6° | 180.0° |
| O2 | C4 | N | H4 | 171.1° | 180.0° |
| N | C4 | C3 | C2 | 164.3° | 180.0° |
| N | C4 | C3 | C9 | 24.8° | 0.0° |
| C4 | C3 | C2 | CL1 | 6.4° | 0.0° |
| C4 | C3 | C2 | C9 | 171.5° | 180.0° |
| C4 | C3 | C2 | C1 | 170.2° | 179.9° |
| C4 | C3 | C9 | C10 | 168.8° | 179.8° |
| C3 | C4 | N | H4 | 7.6° | 0.0° |
| C4 | C3 | C9 | H6 | 11.2° | 0.0° |
| CL1 | C2 | C3 | C1 | 176.6° | 179.9° |
| CL1 | C2 | C3 | C9 | 177.8° | 180.0° |
| CL1 | C2 | C1 | C | 175.9° | 180.0° |
| CL1 | C2 | C1 | H1 | 4.1° | 0.2° |
| C2 | C3 | C9 | C10 | 1.9° | 0.2° |
| C3 | C2 | C1 | C | 0.8° | 0.1° |
| C3 | C2 | C1 | H1 | 179.2° | 179.7° |
| C2 | C3 | C9 | H6 | 178.1° | 180.0° |
| C9 | C3 | C2 | C1 | 1.3° | 0.1° |
| C3 | C9 | C10 | H6 | 180.0° | 179.8° |
| C3 | C9 | C10 | C | 0.5° | 0.5° |
| C3 | C9 | C10 | H5 | 179.5° | 180.0° |
| C2 | C1 | C | H1 | 180.0° | 179.8° |
| C2 | C1 | C | C10 | 2.3° | 0.2° |
| C2 | C1 | C | CL | 173.9° | 179.8° |
| C9 | C10 | C | C1 | 1.6° | 0.5° |
| C9 | C10 | C | H5 | 180.0° | 179.5° |
| C9 | C10 | C | CL | 174.5° | 179.5° |
| C1 | C | C10 | CL | 176.1° | 180.0° |
| C1 | C | C10 | H5 | 178.4° | 180.0° |
| C10 | C | C1 | H1 | 177.7° | 180.0° |
| C | C10 | C9 | H6 | 179.5° | 179.8° |
| CL | C | C1 | H1 | 6.1° | 0.0° |
| CL | C | C10 | H5 | 5.5° | 0.1° |
| H2 | C6 | C7 | H3 | 0.8° | 0.1° |
| H5 | C10 | C9 | H6 | 0.5° | 0.2° |
