EKZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAI | sing | 1.36Å | 1.34Å | |
| CAF | CAI | doub | 1.38Å | 1.37Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.36Å | Aromatic |
| CAI | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAK | doub | 1.38Å | 1.38Å | Aromatic |
| CAA | CAL | sing | 1.53Å | 1.49Å | |
| CAJ | OAE | sing | 1.36Å | 1.34Å | |
| CAJ | CAH | doub | 1.39Å | 1.36Å | Aromatic |
| CAK | CAL | sing | 1.51Å | 1.28Å | |
| CAK | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAB | sing | 1.53Å | 1.49Å | |
| CAL | CAC | sing | 1.53Å | 1.51Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| OAE | H11 | sing | 0.97Å | 0.95Å | |
| OAD | H12 | sing | 0.97Å | 0.95Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAG | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAI | CAF | 118.7° | 120.1° |
| OAD | CAI | CAJ | 119.1° | 120.1° |
| CAI | OAD | H12 | 109.5° | 114.0° |
| CAI | CAF | CAG | 119.6° | 120.0° |
| CAF | CAI | CAJ | 122.2° | 119.8° |
| CAI | CAF | H13 | 120.2° | 120.0° |
| CAF | CAG | CAK | 117.6° | 120.1° |
| CAG | CAF | H13 | 120.2° | 120.0° |
| CAF | CAG | H14 | 121.2° | 120.0° |
| CAI | CAJ | OAE | 120.0° | 120.1° |
| CAI | CAJ | CAH | 119.4° | 119.8° |
| CAG | CAK | CAL | 117.7° | 119.9° |
| CAG | CAK | CAH | 124.4° | 120.2° |
| CAK | CAG | H14 | 121.2° | 119.9° |
| CAA | CAL | CAK | 107.6° | 109.5° |
| CAA | CAL | CAB | 108.4° | 109.4° |
| CAA | CAL | CAC | 112.7° | 109.5° |
| CAL | CAA | H1 | 109.5° | 109.5° |
| CAL | CAA | H2 | 109.5° | 109.5° |
| CAL | CAA | H3 | 109.5° | 109.5° |
| OAE | CAJ | CAH | 120.5° | 120.1° |
| CAJ | OAE | H11 | 109.5° | 114.0° |
| CAJ | CAH | CAK | 116.8° | 120.0° |
| CAJ | CAH | H10 | 121.6° | 120.0° |
| CAL | CAK | CAH | 117.8° | 119.9° |
| CAK | CAL | CAB | 104.1° | 109.5° |
| CAK | CAL | CAC | 107.8° | 109.5° |
| CAK | CAH | H10 | 121.6° | 120.0° |
| CAB | CAL | CAC | 115.6° | 109.5° |
| CAL | CAB | H4 | 109.5° | 109.5° |
| CAL | CAB | H5 | 109.5° | 109.4° |
| CAL | CAB | H6 | 109.5° | 109.5° |
| CAL | CAC | H7 | 109.5° | 109.5° |
| CAL | CAC | H8 | 109.5° | 109.5° |
| CAL | CAC | H9 | 109.5° | 109.4° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.4° |
| H7 | CAC | H8 | 109.5° | 109.4° |
| H7 | CAC | H9 | 109.5° | 109.5° |
| H8 | CAC | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAI | CAF | CAJ | 179.4° | 179.9° |
| OAD | CAI | CAF | CAG | 179.5° | 179.8° |
| OAD | CAI | CAJ | OAE | 1.0° | 0.1° |
| OAD | CAI | CAJ | CAH | 179.7° | 180.0° |
| OAD | CAI | CAF | H13 | 0.5° | 0.0° |
| CAI | CAF | CAG | H13 | 180.0° | 179.8° |
| CAI | CAF | CAG | CAK | 0.0° | 0.5° |
| CAF | CAI | CAJ | OAE | 179.6° | 180.0° |
| CAF | CAI | CAJ | CAH | 0.2° | 0.1° |
| CAF | CAI | OAD | H12 | 180.0° | 90.0° |
| CAI | CAF | CAG | H14 | 180.0° | 179.9° |
| CAG | CAF | CAI | CAJ | 0.1° | 0.3° |
| CAF | CAG | CAK | H14 | 180.0° | 179.6° |
| CAF | CAG | CAK | CAL | 178.9° | 179.8° |
| CAF | CAG | CAK | CAH | 0.0° | 0.5° |
| CAI | CAJ | OAE | CAH | 179.4° | 179.9° |
| CAI | CAJ | CAH | CAK | 0.3° | 0.1° |
| CAI | CAJ | CAH | H10 | 179.8° | 180.0° |
| CAI | CAJ | OAE | H11 | 180.0° | 89.9° |
| CAJ | CAI | OAD | H12 | 0.6° | 90.0° |
| CAJ | CAI | CAF | H13 | 179.9° | 179.9° |
| CAG | CAK | CAL | CAA | 22.1° | 120.3° |
| CAG | CAK | CAH | CAJ | 0.1° | 0.3° |
| CAG | CAK | CAL | CAH | 178.9° | 179.8° |
| CAG | CAK | CAL | CAB | 137.0° | 119.8° |
| CAG | CAK | CAL | CAC | 99.7° | 0.2° |
| CAG | CAK | CAH | H10 | 179.9° | 179.8° |
| CAK | CAG | CAF | H13 | 180.0° | 179.7° |
| CAA | CAL | CAK | CAB | 114.9° | 119.9° |
| CAA | CAL | CAK | CAC | 121.8° | 120.0° |
| CAA | CAL | CAK | CAH | 156.9° | 60.0° |
| CAA | CAL | CAB | CAC | 127.6° | 120.0° |
| CAL | CAA | H1 | H2 | 120.0° | 120.0° |
| CAL | CAA | H1 | H3 | 120.0° | 120.0° |
| CAL | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAL | CAB | H4 | 180.0° | 60.1° |
| CAA | CAL | CAB | H5 | 60.0° | 180.0° |
| CAA | CAL | CAB | H6 | 60.0° | 60.0° |
| CAA | CAL | CAC | H7 | 180.0° | 60.0° |
| CAA | CAL | CAC | H8 | 60.0° | 180.0° |
| CAA | CAL | CAC | H9 | 60.0° | 60.0° |
| OAE | CAJ | CAH | CAK | 179.6° | 180.0° |
| OAE | CAJ | CAH | H10 | 0.4° | 0.2° |
| CAJ | CAH | CAK | CAL | 179.0° | 180.0° |
| CAJ | CAH | CAK | H10 | 180.0° | 179.9° |
| CAH | CAJ | OAE | H11 | 0.6° | 90.0° |
| CAK | CAL | CAB | CAC | 118.1° | 120.0° |
| CAK | CAL | CAA | H1 | 180.0° | 60.0° |
| CAK | CAL | CAA | H2 | 60.0° | 60.0° |
| CAK | CAL | CAA | H3 | 60.0° | 180.0° |
| CAK | CAL | CAB | H4 | 65.7° | 180.0° |
| CAK | CAL | CAB | H5 | 174.3° | 60.0° |
| CAK | CAL | CAB | H6 | 54.4° | 59.9° |
| CAK | CAL | CAC | H7 | 61.4° | 60.0° |
| CAK | CAL | CAC | H8 | 58.5° | 60.0° |
| CAK | CAL | CAC | H9 | 178.6° | 180.0° |
| CAL | CAK | CAH | H10 | 1.0° | 0.1° |
| CAL | CAK | CAG | H14 | 1.1° | 0.2° |
| CAH | CAK | CAL | CAB | 41.9° | 60.0° |
| CAH | CAK | CAL | CAC | 81.3° | 180.0° |
| CAH | CAK | CAG | H14 | 180.0° | 179.9° |
| CAB | CAL | CAA | H1 | 67.9° | 60.0° |
| CAB | CAL | CAA | H2 | 172.1° | 180.0° |
| CAB | CAL | CAA | H3 | 52.0° | 60.0° |
| CAL | CAB | H4 | H5 | 120.0° | 120.0° |
| CAL | CAB | H4 | H6 | 120.0° | 120.1° |
| CAL | CAB | H5 | H6 | 120.0° | 120.0° |
| CAB | CAL | CAC | H7 | 54.6° | 180.0° |
| CAB | CAL | CAC | H8 | 174.5° | 60.0° |
| CAB | CAL | CAC | H9 | 65.4° | 60.0° |
| CAC | CAL | CAA | H1 | 61.3° | 180.0° |
| CAC | CAL | CAA | H2 | 58.7° | 60.0° |
| CAC | CAL | CAA | H3 | 178.7° | 59.9° |
| CAC | CAL | CAB | H4 | 52.4° | 59.9° |
| CAC | CAL | CAB | H5 | 67.6° | 60.0° |
| CAC | CAL | CAB | H6 | 172.4° | 180.0° |
| CAL | CAC | H7 | H8 | 120.0° | 120.0° |
| CAL | CAC | H7 | H9 | 120.0° | 120.0° |
| CAL | CAC | H8 | H9 | 120.0° | 120.0° |
| H1 | CAA | H2 | H3 | 119.9° | 120.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | H8 | H9 | 120.0° | 120.0° |
| H13 | CAF | CAG | H14 | 0.0° | 0.1° |
