E8W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | PAO | doub | 1.48Å | 1.51Å | |
| CAE | PAO | sing | 1.82Å | 1.59Å | |
| PAO | OAL | sing | 1.61Å | 1.57Å | |
| PAO | OAK | sing | 1.61Å | 1.74Å | |
| CAC | CAM | sing | 1.53Å | 1.48Å | |
| OAL | CAM | sing | 1.43Å | 1.27Å | |
| OAK | CAI | sing | 1.43Å | 1.46Å | |
| CAM | CAD | sing | 1.53Å | 1.51Å | |
| CAC | H1 | sing | 1.09Å | 1.10Å | |
| CAC | H2 | sing | 1.09Å | 1.10Å | |
| CAC | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.09Å | 1.10Å | |
| CAD | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.09Å | 1.10Å | |
| CAE | H8 | sing | 1.09Å | 1.10Å | |
| CAE | H9 | sing | 1.09Å | 1.10Å | |
| CAE | H10 | sing | 1.09Å | 1.10Å | |
| CAI | H11 | sing | 1.09Å | 1.10Å | |
| CAI | H12 | sing | 1.09Å | 1.10Å | |
| CAI | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | PAO | CAE | 115.4° | 109.5° |
| OAF | PAO | OAL | 114.1° | 109.5° |
| OAF | PAO | OAK | 109.7° | 109.4° |
| CAE | PAO | OAL | 119.8° | 109.5° |
| CAE | PAO | OAK | 106.5° | 109.5° |
| PAO | CAE | H8 | 109.5° | 109.5° |
| PAO | CAE | H9 | 109.5° | 109.5° |
| PAO | CAE | H10 | 109.4° | 109.5° |
| OAL | PAO | OAK | 86.4° | 109.5° |
| PAO | OAL | CAM | 128.5° | 123.0° |
| PAO | OAK | CAI | 124.6° | 123.0° |
| CAC | CAM | OAL | 104.6° | 109.5° |
| CAC | CAM | CAD | 111.9° | 109.5° |
| CAM | CAC | H1 | 109.5° | 109.5° |
| CAM | CAC | H2 | 109.4° | 109.4° |
| CAM | CAC | H3 | 109.4° | 109.5° |
| CAC | CAM | H4 | 111.1° | 109.5° |
| OAL | CAM | CAD | 103.8° | 109.5° |
| OAL | CAM | H4 | 114.6° | 109.5° |
| OAK | CAI | H11 | 109.5° | 109.5° |
| OAK | CAI | H12 | 109.4° | 109.5° |
| OAK | CAI | H13 | 109.5° | 109.5° |
| CAD | CAM | H4 | 110.6° | 109.5° |
| CAM | CAD | H5 | 109.5° | 109.4° |
| CAM | CAD | H6 | 109.5° | 109.5° |
| CAM | CAD | H7 | 109.5° | 109.5° |
| H1 | CAC | H2 | 109.4° | 109.4° |
| H1 | CAC | H3 | 109.5° | 109.5° |
| H2 | CAC | H3 | 109.5° | 109.5° |
| H5 | CAD | H6 | 109.4° | 109.5° |
| H5 | CAD | H7 | 109.5° | 109.4° |
| H6 | CAD | H7 | 109.5° | 109.5° |
| H8 | CAE | H9 | 109.4° | 109.5° |
| H8 | CAE | H10 | 109.5° | 109.5° |
| H9 | CAE | H10 | 109.5° | 109.4° |
| H11 | CAI | H12 | 109.4° | 109.5° |
| H11 | CAI | H13 | 109.5° | 109.5° |
| H12 | CAI | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | PAO | CAE | OAL | 142.6° | 120.0° |
| OAF | PAO | CAE | OAK | 122.0° | 120.0° |
| OAF | PAO | OAL | OAK | 110.0° | 120.0° |
| OAF | PAO | OAL | CAM | 130.0° | 55.0° |
| OAF | PAO | OAK | CAI | 82.2° | 55.0° |
| OAF | PAO | CAE | H8 | 180.0° | 60.0° |
| OAF | PAO | CAE | H9 | 60.0° | 60.0° |
| OAF | PAO | CAE | H10 | 60.0° | 179.9° |
| CAE | PAO | OAL | OAK | 107.0° | 120.0° |
| CAE | PAO | OAL | CAM | 13.0° | 175.0° |
| CAE | PAO | OAK | CAI | 152.2° | 175.0° |
| PAO | CAE | H8 | H9 | 120.0° | 120.0° |
| PAO | CAE | H8 | H10 | 120.0° | 120.0° |
| PAO | CAE | H9 | H10 | 120.0° | 119.9° |
| PAO | OAL | CAM | CAC | 79.7° | 120.0° |
| OAL | PAO | OAK | CAI | 32.1° | 65.0° |
| PAO | OAL | CAM | CAD | 162.8° | 120.0° |
| PAO | OAL | CAM | H4 | 42.2° | 0.0° |
| OAL | PAO | CAE | H8 | 37.4° | 60.0° |
| OAL | PAO | CAE | H9 | 82.6° | 179.9° |
| OAL | PAO | CAE | H10 | 157.4° | 60.0° |
| OAK | PAO | OAL | CAM | 120.0° | 65.0° |
| OAK | PAO | CAE | H8 | 58.0° | 180.0° |
| OAK | PAO | CAE | H9 | 178.0° | 59.9° |
| OAK | PAO | CAE | H10 | 62.0° | 60.0° |
| PAO | OAK | CAI | H11 | 180.0° | 60.0° |
| PAO | OAK | CAI | H12 | 60.0° | 60.0° |
| PAO | OAK | CAI | H13 | 60.0° | 180.0° |
| CAC | CAM | OAL | CAD | 117.4° | 120.0° |
| CAC | CAM | OAL | H4 | 121.9° | 120.0° |
| CAC | CAM | CAD | H4 | 124.4° | 120.0° |
| CAM | CAC | H1 | H2 | 120.0° | 119.9° |
| CAM | CAC | H1 | H3 | 120.0° | 120.0° |
| CAM | CAC | H2 | H3 | 120.0° | 120.0° |
| CAC | CAM | CAD | H5 | 180.0° | 60.0° |
| CAC | CAM | CAD | H6 | 60.0° | 180.0° |
| CAC | CAM | CAD | H7 | 60.0° | 60.0° |
| OAL | CAM | CAD | H4 | 123.4° | 120.0° |
| OAL | CAM | CAC | H1 | 180.0° | 60.0° |
| OAL | CAM | CAC | H2 | 60.0° | 60.0° |
| OAL | CAM | CAC | H3 | 60.0° | 180.0° |
| OAL | CAM | CAD | H5 | 67.8° | 60.0° |
| OAL | CAM | CAD | H6 | 52.2° | 60.0° |
| OAL | CAM | CAD | H7 | 172.2° | 180.0° |
| OAK | CAI | H11 | H12 | 120.0° | 120.1° |
| OAK | CAI | H11 | H13 | 120.0° | 120.0° |
| OAK | CAI | H12 | H13 | 120.0° | 120.0° |
| CAD | CAM | CAC | H1 | 68.3° | 180.0° |
| CAD | CAM | CAC | H2 | 51.7° | 60.0° |
| CAD | CAM | CAC | H3 | 171.7° | 60.0° |
| CAM | CAD | H5 | H6 | 120.0° | 120.0° |
| CAM | CAD | H5 | H7 | 120.0° | 120.0° |
| CAM | CAD | H6 | H7 | 120.0° | 120.0° |
| H1 | CAC | H2 | H3 | 120.0° | 120.1° |
| H1 | CAC | CAM | H4 | 55.8° | 60.1° |
| H2 | CAC | CAM | H4 | 175.8° | 180.0° |
| H3 | CAC | CAM | H4 | 64.2° | 60.0° |
| H4 | CAM | CAD | H5 | 55.6° | 179.9° |
| H4 | CAM | CAD | H6 | 175.6° | 60.0° |
| H4 | CAM | CAD | H7 | 64.4° | 60.0° |
| H5 | CAD | H6 | H7 | 120.0° | 120.0° |
| H8 | CAE | H9 | H10 | 120.0° | 120.0° |
| H11 | CAI | H12 | H13 | 120.0° | 120.0° |
