ZZX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAM | sing | 1.53Å | 1.52Å | |
| CAB | NAQ | sing | 1.46Å | 1.49Å | |
| CAC | CBC | sing | 1.53Å | 1.53Å | |
| OAD | CAR | doub | 1.22Å | 1.22Å | |
| OAE | CAS | doub | 1.22Å | 1.24Å | |
| OAF | CAZ | doub | 1.22Å | 1.23Å | |
| OAG | CAW | sing | 1.36Å | 1.37Å | |
| FAH | CAT | sing | 1.35Å | 1.34Å | |
| CLAI | CAV | sing | 1.74Å | 1.71Å | |
| CAJ | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAT | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAV | sing | 1.38Å | 1.37Å | Aromatic |
| CAM | NBD | sing | 1.46Å | 1.47Å | |
| CAN | CAU | sing | 1.51Å | 1.49Å | |
| CAN | NBE | sing | 1.47Å | 1.45Å | |
| CAO | CBC | sing | 1.53Å | 1.51Å | |
| CAO | NBD | sing | 1.46Å | 1.48Å | |
| NAP | CAX | doub | 1.32Å | 1.34Å | |
| NAP | NBE | sing | 1.28Å | 1.23Å | |
| NAQ | CAR | sing | 1.35Å | 1.34Å | |
| CAR | CAX | sing | 1.48Å | 1.53Å | |
| CAS | CAY | sing | 1.46Å | 1.39Å | |
| CAS | NBD | sing | 1.35Å | 1.41Å | |
| CAT | CAV | doub | 1.39Å | 1.38Å | Aromatic |
| CAW | CAY | doub | 1.37Å | 1.39Å | Aromatic |
| CAW | CBA | sing | 1.40Å | 1.38Å | Aromatic |
| CAX | CBB | sing | 1.47Å | 1.39Å | |
| CAY | NBF | sing | 1.40Å | 1.40Å | Aromatic |
| CAZ | CBA | sing | 1.46Å | 1.39Å | |
| CAZ | NBE | sing | 1.36Å | 1.40Å | |
| CBA | CBB | doub | 1.42Å | 1.38Å | Aromatic |
| CBB | NBF | sing | 1.33Å | 1.40Å | Aromatic |
| CBC | NBF | sing | 1.47Å | 1.46Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| NAQ | HNAQ | sing | 0.97Å | 1.00Å | |
| CBC | HBC | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAM | NBD | 110.8° | 109.4° |
| CAM | CAA | HAA | 109.5° | 109.5° |
| CAM | CAA | HAAA | 109.5° | 109.5° |
| CAM | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAM | HAM | 109.1° | 109.5° |
| CAA | CAM | HAMA | 109.0° | 109.5° |
| CAB | NAQ | CAR | 118.8° | 120.0° |
| NAQ | CAB | HAB | 109.5° | 109.4° |
| NAQ | CAB | HABA | 109.5° | 109.4° |
| NAQ | CAB | HABB | 109.5° | 109.5° |
| CAB | NAQ | HNAQ | 120.6° | 120.1° |
| CAC | CBC | CAO | 107.8° | 109.5° |
| CAC | CBC | NBF | 103.3° | 109.5° |
| CBC | CAC | HAC | 109.5° | 109.5° |
| CBC | CAC | HACA | 109.4° | 109.4° |
| CBC | CAC | HACB | 109.5° | 109.5° |
| CAC | CBC | HBC | 115.6° | 109.5° |
| OAD | CAR | NAQ | 124.1° | 120.0° |
| OAD | CAR | CAX | 116.3° | 120.0° |
| OAE | CAS | CAY | 119.8° | 121.7° |
| OAE | CAS | NBD | 120.3° | 121.7° |
| OAF | CAZ | CBA | 121.0° | 122.1° |
| OAF | CAZ | NBE | 120.9° | 122.0° |
| OAG | CAW | CAY | 125.2° | 126.6° |
| OAG | CAW | CBA | 125.0° | 126.7° |
| CAW | OAG | HOAG | 109.5° | 114.0° |
| FAH | CAT | CAJ | 121.4° | 120.0° |
| FAH | CAT | CAV | 117.2° | 120.0° |
| CLAI | CAV | CAL | 118.7° | 120.1° |
| CLAI | CAV | CAT | 120.3° | 120.0° |
| CAK | CAJ | CAT | 118.6° | 120.0° |
| CAJ | CAK | CAU | 118.8° | 120.1° |
| CAK | CAJ | HAJ | 120.7° | 120.0° |
| CAJ | CAK | HAK | 120.6° | 120.0° |
| CAJ | CAT | CAV | 121.4° | 119.9° |
| CAT | CAJ | HAJ | 120.7° | 120.0° |
| CAK | CAU | CAL | 122.4° | 120.1° |
| CAK | CAU | CAN | 121.8° | 119.9° |
| CAU | CAK | HAK | 120.6° | 120.0° |
| CAU | CAL | CAV | 117.8° | 120.0° |
| CAL | CAU | CAN | 115.8° | 120.0° |
| CAU | CAL | HAL | 121.1° | 120.0° |
| CAL | CAV | CAT | 121.0° | 119.9° |
| CAV | CAL | HAL | 121.1° | 120.0° |
| CAM | NBD | CAO | 118.6° | 119.1° |
| CAM | NBD | CAS | 119.8° | 119.1° |
| NBD | CAM | HAM | 109.0° | 109.5° |
| NBD | CAM | HAMA | 109.0° | 109.5° |
| CAU | CAN | NBE | 111.7° | 109.5° |
| CAU | CAN | HAN | 108.7° | 109.4° |
| CAU | CAN | HANA | 108.7° | 109.5° |
| CAN | NBE | NAP | 118.0° | 117.6° |
| CAN | NBE | CAZ | 120.0° | 117.7° |
| NBE | CAN | HAN | 108.7° | 109.5° |
| NBE | CAN | HANA | 108.7° | 109.5° |
| CBC | CAO | NBD | 111.1° | 112.6° |
| CAO | CBC | NBF | 112.8° | 109.2° |
| CBC | CAO | HAO | 108.9° | 108.9° |
| CBC | CAO | HAOA | 108.9° | 108.8° |
| CAO | CBC | HBC | 106.6° | 109.5° |
| CAO | NBD | CAS | 121.2° | 121.8° |
| NBD | CAO | HAO | 108.9° | 108.9° |
| NBD | CAO | HAOA | 108.9° | 108.8° |
| CAX | NAP | NBE | 123.2° | 125.7° |
| NAP | CAX | CAR | 118.8° | 121.7° |
| NAP | CAX | CBB | 119.6° | 116.7° |
| NAP | NBE | CAZ | 122.0° | 124.7° |
| NAQ | CAR | CAX | 119.0° | 119.9° |
| CAR | NAQ | HNAQ | 120.6° | 120.0° |
| CAR | CAX | CBB | 121.5° | 121.6° |
| CAY | CAS | NBD | 118.4° | 116.6° |
| CAS | CAY | CAW | 132.8° | 130.2° |
| CAS | CAY | NBF | 120.6° | 120.8° |
| CAY | CAW | CBA | 109.7° | 106.7° |
| CAW | CAY | NBF | 106.4° | 109.0° |
| CAW | CBA | CAZ | 133.9° | 133.5° |
| CAW | CBA | CBB | 107.4° | 107.6° |
| CAX | CBB | CBA | 118.5° | 118.2° |
| CAX | CBB | NBF | 133.2° | 133.7° |
| CAY | NBF | CBB | 108.1° | 108.5° |
| CAY | NBF | CBC | 121.9° | 120.9° |
| CBA | CAZ | NBE | 118.1° | 115.9° |
| CAZ | CBA | CBB | 118.6° | 118.8° |
| CBA | CBB | NBF | 108.3° | 108.1° |
| CBB | NBF | CBC | 130.0° | 130.6° |
| NBF | CBC | HBC | 110.8° | 109.6° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAB | CAB | HABA | 109.5° | 109.4° |
| HAB | CAB | HABB | 109.5° | 109.6° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| HAC | CAC | HACA | 109.5° | 109.4° |
| HAC | CAC | HACB | 109.4° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| HAM | CAM | HAMA | 109.9° | 109.5° |
| HAN | CAN | HANA | 110.2° | 109.5° |
| HAO | CAO | HAOA | 110.0° | 108.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAM | NBD | HAM | 120.0° | 120.0° |
| CAA | CAM | NBD | HAMA | 120.0° | 120.0° |
| CAA | CAM | NBD | CAO | 84.4° | 90.0° |
| CAA | CAM | NBD | CAS | 102.7° | 90.0° |
| CAM | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAM | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAM | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAM | HAM | HAMA | 119.5° | 120.0° |
| CAB | NAQ | CAR | OAD | 6.2° | 0.0° |
| CAB | NAQ | CAR | HNAQ | 180.0° | 180.0° |
| CAB | NAQ | CAR | CAX | 177.5° | 180.0° |
| NAQ | CAB | HAB | HABA | 120.0° | 119.9° |
| NAQ | CAB | HAB | HABB | 120.0° | 120.1° |
| NAQ | CAB | HABA | HABB | 120.0° | 120.0° |
| CAC | CBC | CAO | NBF | 113.4° | 119.9° |
| CAC | CBC | CAO | HBC | 124.7° | 120.1° |
| CAC | CBC | CAO | NBD | 71.7° | 167.7° |
| CAC | CBC | NBF | CAY | 91.0° | 150.1° |
| CAC | CBC | NBF | CBB | 85.8° | 30.5° |
| CAC | CBC | NBF | HBC | 124.5° | 120.2° |
| CBC | CAC | HAC | HACA | 120.0° | 120.0° |
| CBC | CAC | HAC | HACB | 120.0° | 120.0° |
| CBC | CAC | HACA | HACB | 120.0° | 120.0° |
| CAC | CBC | CAO | HAO | 168.3° | 71.4° |
| CAC | CBC | CAO | HAOA | 48.3° | 47.0° |
| OAD | CAR | CAX | NAP | 122.2° | 97.3° |
| OAD | CAR | NAQ | CAX | 171.3° | 180.0° |
| OAD | CAR | CAX | CBB | 54.3° | 82.7° |
| OAD | CAR | NAQ | HNAQ | 173.8° | 180.0° |
| OAE | CAS | NBD | CAM | 8.9° | 10.2° |
| OAE | CAS | NBD | CAO | 178.3° | 169.8° |
| OAE | CAS | CAY | NBD | 165.7° | 180.0° |
| OAE | CAS | CAY | CAW | 17.4° | 9.8° |
| OAE | CAS | CAY | NBF | 157.5° | 169.0° |
| OAF | CAZ | NBE | CAN | 0.1° | 0.0° |
| OAF | CAZ | NBE | NAP | 179.8° | 180.0° |
| OAF | CAZ | CBA | CAW | 0.4° | 0.0° |
| OAF | CAZ | CBA | NBE | 179.9° | 179.9° |
| OAF | CAZ | CBA | CBB | 179.9° | 179.9° |
| OAG | CAW | CAY | CAS | 4.6° | 0.3° |
| OAG | CAW | CAY | CBA | 179.5° | 180.0° |
| OAG | CAW | CAY | NBF | 180.0° | 178.6° |
| OAG | CAW | CBA | CAZ | 0.5° | 0.6° |
| OAG | CAW | CBA | CBB | 180.0° | 179.3° |
| FAH | CAT | CAV | CLAI | 1.0° | 0.0° |
| FAH | CAT | CAJ | CAK | 179.6° | 180.0° |
| FAH | CAT | CAJ | CAV | 179.1° | 179.9° |
| FAH | CAT | CAV | CAL | 178.9° | 180.0° |
| FAH | CAT | CAJ | HAJ | 0.4° | 0.4° |
| CLAI | CAV | CAT | CAJ | 179.9° | 179.9° |
| CLAI | CAV | CAL | CAU | 179.1° | 180.0° |
| CLAI | CAV | CAL | CAT | 179.8° | 180.0° |
| CLAI | CAV | CAL | HAL | 0.9° | 0.0° |
| CAK | CAJ | CAT | HAJ | 180.0° | 179.6° |
| CAJ | CAK | CAU | HAK | 180.0° | 180.0° |
| CAJ | CAK | CAU | CAL | 0.3° | 0.0° |
| CAJ | CAK | CAU | CAN | 178.5° | 180.0° |
| CAK | CAJ | CAT | CAV | 0.4° | 0.1° |
| CAT | CAJ | CAK | CAU | 0.4° | 0.1° |
| CAJ | CAT | CAV | CAL | 0.3° | 0.1° |
| CAT | CAJ | CAK | HAK | 179.6° | 179.9° |
| CAK | CAU | CAL | CAN | 178.3° | 180.0° |
| CAK | CAU | CAL | CAV | 1.1° | 0.0° |
| CAK | CAU | CAN | NBE | 94.5° | 90.0° |
| CAU | CAK | CAJ | HAJ | 179.5° | 179.7° |
| CAK | CAU | CAL | HAL | 178.9° | 180.0° |
| CAK | CAU | CAN | HAN | 25.5° | 150.0° |
| CAK | CAU | CAN | HANA | 145.5° | 30.0° |
| CAU | CAL | CAV | HAL | 180.0° | 180.0° |
| CAL | CAU | CAN | NBE | 87.2° | 90.0° |
| CAU | CAL | CAV | CAT | 1.1° | 0.0° |
| CAL | CAU | CAK | HAK | 179.7° | 180.0° |
| CAL | CAU | CAN | HAN | 152.8° | 30.0° |
| CAL | CAU | CAN | HANA | 32.8° | 150.0° |
| CAV | CAL | CAU | CAN | 179.3° | 180.0° |
| CAM | NBD | CAO | CBC | 149.4° | 139.3° |
| CAM | NBD | CAO | CAS | 172.8° | 179.9° |
| CAM | NBD | CAS | CAY | 174.6° | 169.8° |
| NBD | CAM | CAA | HAA | 180.0° | 180.0° |
| NBD | CAM | CAA | HAAA | 60.0° | 60.0° |
| NBD | CAM | CAA | HAAB | 60.0° | 60.1° |
| NBD | CAM | HAM | HAMA | 119.5° | 120.0° |
| CAM | NBD | CAO | HAO | 90.6° | 18.4° |
| CAM | NBD | CAO | HAOA | 29.4° | 100.0° |
| CAU | CAN | NBE | HAN | 120.0° | 120.0° |
| CAU | CAN | NBE | HANA | 120.0° | 120.0° |
| CAU | CAN | NBE | NAP | 65.9° | 90.0° |
| CAU | CAN | NBE | CAZ | 113.8° | 90.0° |
| CAN | CAU | CAK | HAK | 1.5° | 0.0° |
| CAN | CAU | CAL | HAL | 0.6° | 0.0° |
| CAU | CAN | HAN | HANA | 119.1° | 120.0° |
| CAN | NBE | NAP | CAX | 179.2° | 180.0° |
| CAN | NBE | NAP | CAZ | 179.7° | 180.0° |
| CAN | NBE | CAZ | CBA | 180.0° | 180.0° |
| NBE | CAN | HAN | HANA | 119.1° | 120.0° |
| CBC | CAO | NBD | HAO | 120.0° | 120.8° |
| CBC | CAO | NBD | HAOA | 120.0° | 120.7° |
| CBC | CAO | NBD | CAS | 37.8° | 40.7° |
| CAO | CBC | NBF | CAY | 25.1° | 30.2° |
| CAO | CBC | NBF | CBB | 158.2° | 150.5° |
| CAO | CBC | NBF | HBC | 119.4° | 119.9° |
| CAO | CBC | CAC | HAC | 180.0° | 25.4° |
| CAO | CBC | CAC | HACA | 60.0° | 145.3° |
| CAO | CBC | CAC | HACB | 60.0° | 94.7° |
| CBC | CAO | HAO | HAOA | 119.3° | 118.4° |
| CAO | NBD | CAS | CAY | 12.7° | 10.2° |
| NBD | CAO | CBC | NBF | 41.7° | 47.8° |
| CAO | NBD | CAM | HAM | 35.6° | 30.0° |
| CAO | NBD | CAM | HAMA | 155.7° | 150.0° |
| NBD | CAO | HAO | HAOA | 119.3° | 118.5° |
| NBD | CAO | CBC | HBC | 163.5° | 72.1° |
| NAP | CAX | CAR | NAQ | 49.8° | 82.7° |
| NAP | CAX | CAR | CBB | 176.5° | 180.0° |
| CAX | NAP | NBE | CAZ | 1.1° | 0.0° |
| NAP | CAX | CBB | CBA | 1.3° | 0.1° |
| NAP | CAX | CBB | NBF | 179.6° | 179.7° |
| NBE | NAP | CAX | CAR | 178.2° | 180.0° |
| NBE | NAP | CAX | CBB | 1.6° | 0.0° |
| NAP | NBE | CAZ | CBA | 0.3° | 0.1° |
| NAP | NBE | CAN | HAN | 54.1° | 150.0° |
| NAP | NBE | CAN | HANA | 174.1° | 30.0° |
| NAQ | CAR | CAX | CBB | 133.7° | 97.3° |
| CAR | NAQ | CAB | HAB | 180.0° | 179.9° |
| CAR | NAQ | CAB | HABA | 60.0° | 60.0° |
| CAR | NAQ | CAB | HABB | 60.0° | 60.0° |
| CAR | CAX | CBB | CBA | 177.8° | 179.9° |
| CAR | CAX | CBB | NBF | 3.1° | 0.3° |
| CAX | CAR | NAQ | HNAQ | 2.5° | 0.0° |
| CAS | CAY | CAW | NBF | 175.5° | 179.0° |
| CAS | CAY | CAW | CBA | 175.9° | 179.7° |
| CAS | CAY | NBF | CBB | 176.5° | 179.4° |
| CAS | CAY | NBF | CBC | 0.9° | 1.1° |
| NBD | CAS | CAY | CAW | 176.9° | 170.2° |
| NBD | CAS | CAY | NBF | 8.1° | 11.0° |
| CAS | NBD | CAM | HAM | 137.3° | 150.0° |
| CAS | NBD | CAM | HAMA | 17.3° | 29.9° |
| CAS | NBD | CAO | HAO | 82.2° | 161.5° |
| CAS | NBD | CAO | HAOA | 157.8° | 80.1° |
| CAV | CAT | CAJ | HAJ | 179.5° | 179.7° |
| CAT | CAV | CAL | HAL | 178.9° | 180.0° |
| CAY | CAW | CBA | CAZ | 180.0° | 179.4° |
| CAY | CAW | CBA | CBB | 0.5° | 0.7° |
| CAW | CAY | NBF | CBB | 0.3° | 1.6° |
| CAW | CAY | NBF | CBC | 177.1° | 177.9° |
| CAY | CAW | OAG | HOAG | 180.0° | 90.1° |
| CAW | CBA | CBB | CAX | 179.1° | 179.9° |
| CBA | CAW | CAY | NBF | 0.5° | 1.3° |
| CAW | CBA | CAZ | CBB | 179.5° | 179.9° |
| CAW | CBA | CAZ | NBE | 179.5° | 179.9° |
| CAW | CBA | CBB | NBF | 0.2° | 0.3° |
| CBA | CAW | OAG | HOAG | 0.6° | 90.0° |
| CAX | CBB | NBF | CAY | 179.3° | 179.1° |
| CAX | CBB | CBA | CAZ | 0.5° | 0.2° |
| CAX | CBB | CBA | NBF | 179.4° | 179.8° |
| CAX | CBB | NBF | CBC | 2.2° | 1.5° |
| CAY | NBF | CBB | CBA | 0.1° | 1.1° |
| CAY | NBF | CBB | CBC | 177.1° | 179.4° |
| CAY | NBF | CBC | HBC | 144.5° | 89.8° |
| CAZ | CBA | CBB | NBF | 179.9° | 179.7° |
| NBE | CAZ | CBA | CBB | 0.0° | 0.1° |
| CAZ | NBE | CAN | HAN | 126.2° | 29.9° |
| CAZ | NBE | CAN | HANA | 6.2° | 149.9° |
| CBA | CBB | NBF | CBC | 177.1° | 178.3° |
| CBB | NBF | CBC | HBC | 38.7° | 89.6° |
| NBF | CBC | CAC | HAC | 60.4° | 145.1° |
| NBF | CBC | CAC | HACA | 59.6° | 95.0° |
| NBF | CBC | CAC | HACB | 179.6° | 25.0° |
| NBF | CBC | CAO | HAO | 78.3° | 168.7° |
| NBF | CBC | CAO | HAOA | 161.7° | 72.9° |
| HAA | CAA | HAAA | HAAB | 119.9° | 119.9° |
| HAA | CAA | CAM | HAM | 60.0° | 60.0° |
| HAA | CAA | CAM | HAMA | 60.0° | 60.0° |
| HAAA | CAA | CAM | HAM | 60.0° | 60.0° |
| HAAA | CAA | CAM | HAMA | 180.0° | 180.0° |
| HAAB | CAA | CAM | HAM | 180.0° | 179.9° |
| HAAB | CAA | CAM | HAMA | 60.0° | 59.9° |
| HAB | CAB | HABA | HABB | 120.0° | 120.1° |
| HAB | CAB | NAQ | HNAQ | 0.0° | 0.1° |
| HABA | CAB | NAQ | HNAQ | 120.0° | 120.0° |
| HABB | CAB | NAQ | HNAQ | 120.0° | 120.0° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HAC | CAC | CBC | HBC | 60.9° | 94.7° |
| HACA | CAC | CBC | HBC | 179.1° | 25.2° |
| HACB | CAC | CBC | HBC | 59.1° | 145.2° |
| HAJ | CAJ | CAK | HAK | 0.4° | 0.3° |
| HAO | CAO | CBC | HBC | 43.6° | 48.7° |
| HAOA | CAO | CBC | HBC | 76.5° | 167.1° |
