ZWZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAK | sing | 1.43Å | 1.43Å | |
| CAK | CAJ | sing | 1.53Å | 1.53Å | |
| CAK | CAL | sing | 1.53Å | 1.53Å | |
| CAJ | OAD | sing | 1.43Å | 1.43Å | |
| CAJ | CAI | sing | 1.53Å | 1.53Å | |
| CAI | OAC | sing | 1.43Å | 1.43Å | |
| CAI | CAH | sing | 1.53Å | 1.53Å | |
| CAH | CAA | sing | 1.53Å | 1.53Å | |
| CAH | NAG | sing | 1.47Å | 1.47Å | |
| NAG | CAL | sing | 1.47Å | 1.47Å | |
| CAL | CAF | sing | 1.53Å | 1.53Å | |
| CAF | NAB | sing | 1.47Å | 1.47Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| NAG | HNAG | sing | 1.01Å | 1.00Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| NAB | HNAB | sing | 1.01Å | 1.00Å | |
| NAB | HNAA | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAK | CAJ | 110.1° | 109.5° |
| OAE | CAK | CAL | 111.8° | 109.5° |
| CAK | OAE | HOAE | 109.5° | 114.0° |
| OAE | CAK | HAK | 107.3° | 109.5° |
| CAJ | CAK | CAL | 109.0° | 109.2° |
| CAK | CAJ | OAD | 110.5° | 109.5° |
| CAK | CAJ | CAI | 107.9° | 109.2° |
| CAJ | CAK | HAK | 110.2° | 109.5° |
| CAK | CAJ | HAJ | 109.9° | 109.5° |
| CAK | CAL | NAG | 107.6° | 109.6° |
| CAK | CAL | CAF | 111.2° | 109.5° |
| CAL | CAK | HAK | 108.4° | 109.5° |
| CAK | CAL | HAL | 109.4° | 109.5° |
| OAD | CAJ | CAI | 109.8° | 109.5° |
| OAD | CAJ | HAJ | 108.1° | 109.6° |
| CAJ | OAD | HOAD | 109.5° | 114.0° |
| CAJ | CAI | OAC | 107.2° | 109.5° |
| CAJ | CAI | CAH | 109.5° | 109.3° |
| CAI | CAJ | HAJ | 110.6° | 109.6° |
| CAJ | CAI | HAI | 111.6° | 109.5° |
| OAC | CAI | CAH | 111.5° | 109.5° |
| OAC | CAI | HAI | 109.6° | 109.5° |
| CAI | OAC | HOAC | 109.5° | 114.0° |
| CAI | CAH | CAA | 111.4° | 109.5° |
| CAI | CAH | NAG | 111.4° | 109.5° |
| CAH | CAI | HAI | 107.4° | 109.5° |
| CAI | CAH | HAH | 106.6° | 109.4° |
| CAA | CAH | NAG | 108.8° | 109.5° |
| CAA | CAH | HAH | 109.3° | 109.4° |
| CAH | CAA | HAA | 109.5° | 109.5° |
| CAH | CAA | HAAA | 109.5° | 109.5° |
| CAH | CAA | HAAB | 109.5° | 109.5° |
| CAH | NAG | CAL | 111.4° | 111.2° |
| NAG | CAH | HAH | 109.3° | 109.5° |
| CAH | NAG | HNAG | 108.8° | 111.0° |
| NAG | CAL | CAF | 108.8° | 109.4° |
| CAL | NAG | HNAG | 108.8° | 111.0° |
| NAG | CAL | HAL | 111.8° | 109.5° |
| CAL | CAF | NAB | 110.7° | 109.5° |
| CAF | CAL | HAL | 108.1° | 109.4° |
| CAL | CAF | HAF | 109.1° | 109.4° |
| CAL | CAF | HAFA | 108.8° | 109.4° |
| NAB | CAF | HAF | 109.1° | 109.5° |
| NAB | CAF | HAFA | 108.8° | 109.5° |
| CAF | NAB | HNAB | 109.5° | 111.0° |
| CAF | NAB | HNAA | 109.5° | 111.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.4° |
| HAAA | CAA | HAAB | 109.4° | 109.4° |
| HAF | CAF | HAFA | 110.4° | 109.5° |
| HNAB | NAB | HNAA | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAK | CAJ | CAL | 123.0° | 120.0° |
| OAE | CAK | CAJ | HAK | 118.2° | 120.1° |
| OAE | CAK | CAL | HAK | 118.1° | 120.2° |
| OAE | CAK | CAJ | OAD | 54.8° | 62.5° |
| OAE | CAK | CAJ | CAI | 174.9° | 177.6° |
| OAE | CAK | CAL | NAG | 174.3° | 179.1° |
| OAE | CAK | CAL | CAF | 55.3° | 60.9° |
| OAE | CAK | CAJ | HAJ | 64.4° | 57.6° |
| OAE | CAK | CAL | HAL | 64.1° | 59.1° |
| CAJ | CAK | CAL | HAK | 120.0° | 119.9° |
| CAK | CAJ | OAD | CAI | 118.9° | 119.7° |
| CAK | CAJ | OAD | HAJ | 120.3° | 120.1° |
| CAK | CAJ | CAI | HAJ | 120.3° | 119.9° |
| CAK | CAJ | CAI | OAC | 63.9° | 62.3° |
| CAK | CAJ | CAI | CAH | 57.2° | 57.7° |
| CAJ | CAK | CAL | NAG | 63.7° | 59.2° |
| CAJ | CAK | CAL | CAF | 177.2° | 179.2° |
| CAJ | CAK | OAE | HOAE | 131.2° | 60.0° |
| CAK | CAJ | OAD | HOAD | 69.9° | 180.0° |
| CAK | CAJ | CAI | HAI | 176.0° | 177.7° |
| CAJ | CAK | CAL | HAL | 57.8° | 60.9° |
| CAL | CAK | CAJ | OAD | 177.8° | 177.5° |
| CAL | CAK | CAJ | CAI | 62.2° | 57.7° |
| CAK | CAL | NAG | CAH | 61.6° | 61.7° |
| CAK | CAL | NAG | CAF | 120.6° | 120.0° |
| CAK | CAL | NAG | HAL | 120.1° | 120.0° |
| CAK | CAL | CAF | HAL | 120.1° | 119.9° |
| CAK | CAL | CAF | NAB | 160.0° | 175.0° |
| CAL | CAK | OAE | HOAE | 9.9° | 179.8° |
| CAL | CAK | CAJ | HAJ | 58.6° | 62.3° |
| CAK | CAL | NAG | HNAG | 58.4° | 62.3° |
| CAK | CAL | CAF | HAF | 40.0° | 65.0° |
| CAK | CAL | CAF | HAFA | 80.5° | 55.0° |
| OAD | CAJ | CAI | HAJ | 119.2° | 120.2° |
| OAD | CAJ | CAI | OAC | 56.6° | 57.6° |
| OAD | CAJ | CAI | CAH | 177.7° | 177.5° |
| OAD | CAJ | CAK | HAK | 63.4° | 57.6° |
| OAD | CAJ | CAI | HAI | 63.5° | 62.5° |
| CAJ | CAI | OAC | CAH | 119.8° | 119.8° |
| CAJ | CAI | OAC | HAI | 121.4° | 120.1° |
| CAJ | CAI | CAH | HAI | 121.4° | 120.0° |
| CAJ | CAI | CAH | CAA | 177.5° | 179.2° |
| CAJ | CAI | CAH | NAG | 55.8° | 59.2° |
| CAI | CAJ | CAK | HAK | 56.7° | 62.3° |
| CAI | CAJ | OAD | HOAD | 171.2° | 60.3° |
| CAJ | CAI | OAC | HOAC | 97.6° | 60.0° |
| CAJ | CAI | CAH | HAH | 63.4° | 60.8° |
| OAC | CAI | CAH | HAI | 120.1° | 120.1° |
| OAC | CAI | CAH | CAA | 59.0° | 59.3° |
| OAC | CAI | CAH | NAG | 62.8° | 60.8° |
| OAC | CAI | CAJ | HAJ | 175.8° | 177.8° |
| OAC | CAI | CAH | HAH | 178.1° | 179.2° |
| CAI | CAH | CAA | NAG | 123.2° | 120.1° |
| CAI | CAH | CAA | HAH | 117.5° | 119.9° |
| CAI | CAH | NAG | HAH | 117.5° | 120.0° |
| CAI | CAH | NAG | CAL | 58.7° | 61.7° |
| CAH | CAI | CAJ | HAJ | 63.1° | 62.3° |
| CAH | CAI | OAC | HOAC | 142.5° | 179.8° |
| CAI | CAH | CAA | HAA | 7.8° | 60.0° |
| CAI | CAH | CAA | HAAA | 127.9° | 180.0° |
| CAI | CAH | CAA | HAAB | 112.2° | 60.0° |
| CAI | CAH | NAG | HNAG | 61.3° | 62.4° |
| CAA | CAH | NAG | HAH | 119.3° | 120.0° |
| CAA | CAH | NAG | CAL | 178.1° | 178.2° |
| CAA | CAH | CAI | HAI | 61.1° | 60.8° |
| CAH | CAA | HAA | HAAA | 120.0° | 120.1° |
| CAH | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAH | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAH | NAG | HNAG | 61.9° | 57.7° |
| CAH | NAG | CAL | HNAG | 120.0° | 124.1° |
| CAH | NAG | CAL | CAF | 177.8° | 178.2° |
| NAG | CAH | CAI | HAI | 177.1° | 179.2° |
| NAG | CAH | CAA | HAA | 131.1° | 180.0° |
| NAG | CAH | CAA | HAAA | 108.9° | 59.9° |
| NAG | CAH | CAA | HAAB | 11.1° | 60.1° |
| CAH | NAG | CAL | HAL | 58.5° | 58.3° |
| NAG | CAL | CAF | HAL | 121.6° | 119.9° |
| NAG | CAL | CAF | NAB | 81.7° | 54.9° |
| NAG | CAL | CAK | HAK | 56.2° | 60.7° |
| CAL | NAG | CAH | HAH | 58.9° | 58.3° |
| NAG | CAL | CAF | HAF | 158.3° | 174.9° |
| NAG | CAL | CAF | HAFA | 37.8° | 65.1° |
| CAL | CAF | NAB | HAF | 120.0° | 120.0° |
| CAL | CAF | NAB | HAFA | 119.5° | 120.0° |
| CAF | CAL | CAK | HAK | 62.8° | 59.3° |
| CAF | CAL | NAG | HNAG | 62.2° | 57.7° |
| CAL | CAF | HAF | HAFA | 119.5° | 119.9° |
| CAL | CAF | NAB | HNAB | 171.1° | 56.1° |
| CAL | CAF | NAB | HNAA | 51.1° | 180.0° |
| NAB | CAF | CAL | HAL | 39.9° | 65.0° |
| NAB | CAF | HAF | HAFA | 119.5° | 120.1° |
| CAF | NAB | HNAB | HNAA | 120.0° | 123.9° |
| HOAE | OAE | CAK | HAK | 108.8° | 60.1° |
| HAK | CAK | CAJ | HAJ | 177.4° | 177.8° |
| HAK | CAK | CAL | HAL | 177.8° | 179.2° |
| HAJ | CAJ | OAD | HOAD | 50.4° | 59.9° |
| HAJ | CAJ | CAI | HAI | 55.7° | 57.7° |
| HAI | CAI | OAC | HOAC | 23.7° | 60.1° |
| HAI | CAI | CAH | HAH | 58.0° | 59.2° |
| HAH | CAH | CAA | HAA | 109.7° | 60.0° |
| HAH | CAH | CAA | HAAA | 10.3° | 60.1° |
| HAH | CAH | CAA | HAAB | 130.3° | 179.9° |
| HAH | CAH | NAG | HNAG | 178.8° | 177.7° |
| HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
| HNAG | NAG | CAL | HAL | 178.5° | 177.6° |
| HAL | CAL | CAF | HAF | 80.1° | 55.0° |
| HAL | CAL | CAF | HAFA | 159.4° | 174.9° |
| HAF | CAF | NAB | HNAB | 68.9° | 63.9° |
| HAF | CAF | NAB | HNAA | 171.2° | 60.0° |
| HAFA | CAF | NAB | HNAB | 51.6° | 176.0° |
| HAFA | CAF | NAB | HNAA | 68.4° | 60.0° |






