Z83
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CBB | sing | 1.53Å | 1.54Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CBB | CAB | sing | 1.53Å | 1.53Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAC | CBB | sing | 1.53Å | 1.53Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| CAT | OAD | sing | 1.34Å | 1.25Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| OAE | CAU | doub | 1.22Å | 1.23Å | |
| CAT | OAF | doub | 1.21Å | 1.25Å | |
| CAH | CAG | doub | 1.33Å | 1.34Å | Aromatic |
| CAG | NAO | sing | 1.32Å | 1.35Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | SAS | sing | 1.76Å | 1.70Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAK | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAL | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAW | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAW | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | CAX | sing | 1.40Å | 1.34Å | Aromatic |
| CAM | CAY | doub | 1.36Å | 1.34Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAV | CAN | sing | 1.51Å | 1.54Å | |
| CAN | CAT | sing | 1.51Å | 1.53Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| NAO | CAZ | doub | 1.30Å | 1.34Å | Aromatic |
| CAX | NAP | doub | 1.31Å | 1.33Å | Aromatic |
| NAP | NBA | sing | 1.40Å | 1.24Å | Aromatic |
| CAU | NAQ | sing | 1.35Å | 1.34Å | |
| NAQ | CAY | sing | 1.39Å | 1.36Å | |
| NAQ | HNAQ | sing | 0.97Å | 1.00Å | |
| CAZ | NAR | sing | 1.39Å | 1.33Å | |
| CAU | NAR | sing | 1.35Å | 1.34Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| SAS | CAZ | sing | 1.71Å | 1.69Å | Aromatic |
| NBA | CAW | sing | 1.40Å | 1.34Å | Aromatic |
| CBB | CAX | sing | 1.51Å | 1.54Å | |
| CAY | NBA | sing | 1.36Å | 1.34Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBB | CAA | HAA | 109.5° | 109.4° |
| CBB | CAA | HAAA | 109.5° | 109.5° |
| CBB | CAA | HAAB | 109.4° | 109.5° |
| CAA | CBB | CAB | 108.9° | 109.5° |
| CAA | CBB | CAC | 109.5° | 109.5° |
| CAA | CBB | CAX | 108.8° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| CBB | CAB | HAB | 109.5° | 109.5° |
| CBB | CAB | HABA | 109.5° | 109.4° |
| CBB | CAB | HABB | 109.5° | 109.5° |
| CAB | CBB | CAC | 109.9° | 109.5° |
| CAB | CBB | CAX | 109.0° | 109.5° |
| HAB | CAB | HABA | 109.5° | 109.4° |
| HAB | CAB | HABB | 109.4° | 109.5° |
| HABA | CAB | HABB | 109.4° | 109.5° |
| CBB | CAC | HAC | 109.5° | 109.5° |
| CBB | CAC | HACA | 109.4° | 109.5° |
| CBB | CAC | HACB | 109.5° | 109.5° |
| CAC | CBB | CAX | 110.7° | 109.5° |
| HAC | CAC | HACA | 109.5° | 109.4° |
| HAC | CAC | HACB | 109.4° | 109.5° |
| HACA | CAC | HACB | 109.4° | 109.4° |
| CAT | OAD | HOAD | 109.5° | 117.1° |
| OAD | CAT | OAF | 125.8° | 120.0° |
| OAD | CAT | CAN | 117.0° | 120.0° |
| OAE | CAU | NAQ | 123.7° | 120.0° |
| OAE | CAU | NAR | 121.5° | 120.1° |
| OAF | CAT | CAN | 117.2° | 120.0° |
| CAH | CAG | NAO | 116.4° | 114.6° |
| CAH | CAG | HAG | 121.8° | 122.7° |
| CAG | CAH | SAS | 106.3° | 108.1° |
| CAG | CAH | HAH | 126.8° | 125.9° |
| NAO | CAG | HAG | 121.8° | 122.7° |
| CAG | NAO | CAZ | 114.1° | 116.9° |
| SAS | CAH | HAH | 126.9° | 126.0° |
| CAH | SAS | CAZ | 95.0° | 90.4° |
| CAK | CAI | CAV | 120.2° | 120.0° |
| CAK | CAI | HAI | 119.9° | 119.9° |
| CAI | CAK | CAW | 120.3° | 120.0° |
| CAI | CAK | HAK | 119.8° | 120.0° |
| CAV | CAI | HAI | 119.9° | 120.0° |
| CAI | CAV | CAJ | 119.7° | 120.2° |
| CAI | CAV | CAN | 120.9° | 119.9° |
| CAL | CAJ | CAV | 120.0° | 120.1° |
| CAL | CAJ | HAJ | 120.0° | 120.0° |
| CAJ | CAL | CAW | 120.9° | 120.0° |
| CAJ | CAL | HAL | 119.5° | 120.0° |
| CAV | CAJ | HAJ | 120.0° | 120.0° |
| CAJ | CAV | CAN | 119.4° | 119.9° |
| CAW | CAK | HAK | 119.9° | 120.0° |
| CAK | CAW | CAL | 118.9° | 119.8° |
| CAK | CAW | NBA | 122.8° | 120.1° |
| CAW | CAL | HAL | 119.6° | 120.1° |
| CAL | CAW | NBA | 118.3° | 120.0° |
| CAX | CAM | CAY | 104.5° | 107.9° |
| CAX | CAM | HAM | 127.8° | 126.1° |
| CAM | CAX | NAP | 109.3° | 108.5° |
| CAM | CAX | CBB | 127.7° | 125.8° |
| CAY | CAM | HAM | 127.8° | 126.0° |
| CAM | CAY | NAQ | 126.8° | 126.3° |
| CAM | CAY | NBA | 107.8° | 107.4° |
| CAV | CAN | CAT | 109.7° | 109.5° |
| CAV | CAN | HAN | 109.4° | 109.5° |
| CAV | CAN | HANA | 109.4° | 109.5° |
| CAT | CAN | HAN | 109.4° | 109.4° |
| CAT | CAN | HANA | 109.4° | 109.5° |
| HAN | CAN | HANA | 109.5° | 109.5° |
| NAO | CAZ | NAR | 124.1° | 124.9° |
| NAO | CAZ | SAS | 108.1° | 110.1° |
| CAX | NAP | NBA | 108.3° | 108.4° |
| NAP | CAX | CBB | 123.0° | 125.7° |
| NAP | NBA | CAW | 121.2° | 126.1° |
| NAP | NBA | CAY | 110.1° | 107.8° |
| CAU | NAQ | CAY | 125.9° | 120.0° |
| CAU | NAQ | HNAQ | 117.0° | 120.0° |
| NAQ | CAU | NAR | 114.8° | 120.0° |
| CAY | NAQ | HNAQ | 117.0° | 120.1° |
| NAQ | CAY | NBA | 125.3° | 126.3° |
| CAZ | NAR | CAU | 122.9° | 120.0° |
| CAZ | NAR | HNAR | 118.5° | 120.0° |
| NAR | CAZ | SAS | 127.7° | 125.0° |
| CAU | NAR | HNAR | 118.5° | 120.1° |
| CAW | NBA | CAY | 128.7° | 126.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBB | CAA | HAA | HAAA | 120.0° | 120.0° |
| CBB | CAA | HAA | HAAB | 120.0° | 120.0° |
| CBB | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CBB | CAB | CAC | 120.0° | 120.0° |
| CAA | CBB | CAB | CAX | 118.6° | 120.0° |
| CAA | CBB | CAB | HAB | 180.0° | 60.0° |
| CAA | CBB | CAB | HABA | 60.0° | 180.0° |
| CAA | CBB | CAB | HABB | 60.0° | 60.0° |
| CAA | CBB | CAC | CAX | 119.9° | 120.0° |
| CAA | CBB | CAC | HAC | 180.0° | 60.0° |
| CAA | CBB | CAC | HACA | 60.0° | 180.0° |
| CAA | CBB | CAC | HACB | 60.0° | 60.0° |
| CAA | CBB | CAX | CAM | 75.4° | 75.0° |
| CAA | CBB | CAX | NAP | 104.0° | 105.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CBB | CAB | 180.0° | 60.0° |
| HAA | CAA | CBB | CAC | 59.7° | 60.0° |
| HAA | CAA | CBB | CAX | 61.3° | 180.0° |
| HAAA | CAA | CBB | CAB | 60.0° | 60.0° |
| HAAA | CAA | CBB | CAC | 179.8° | 179.9° |
| HAAA | CAA | CBB | CAX | 58.7° | 60.0° |
| HAAB | CAA | CBB | CAB | 60.0° | 179.9° |
| HAAB | CAA | CBB | CAC | 60.2° | 60.0° |
| HAAB | CAA | CBB | CAX | 178.7° | 60.1° |
| CBB | CAB | HAB | HABA | 120.0° | 119.9° |
| CBB | CAB | HAB | HABB | 120.0° | 120.1° |
| CBB | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CBB | CAC | CAX | 120.5° | 120.0° |
| CAB | CBB | CAC | HAC | 60.4° | 180.0° |
| CAB | CBB | CAC | HACA | 179.6° | 60.0° |
| CAB | CBB | CAC | HACB | 59.6° | 59.9° |
| CAB | CBB | CAX | CAM | 165.9° | 45.0° |
| CAB | CBB | CAX | NAP | 14.6° | 135.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | CBB | CAC | 60.0° | 59.9° |
| HAB | CAB | CBB | CAX | 61.5° | 180.0° |
| HABA | CAB | CBB | CAC | 60.0° | 60.0° |
| HABA | CAB | CBB | CAX | 178.5° | 60.0° |
| HABB | CAB | CBB | CAC | 180.0° | 180.0° |
| HABB | CAB | CBB | CAX | 58.6° | 60.0° |
| CBB | CAC | HAC | HACA | 120.0° | 120.0° |
| CBB | CAC | HAC | HACB | 120.0° | 120.1° |
| CBB | CAC | HACA | HACB | 120.0° | 120.0° |
| CAC | CBB | CAX | CAM | 44.9° | 165.0° |
| CAC | CBB | CAX | NAP | 135.7° | 14.9° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HAC | CAC | CBB | CAX | 60.1° | 60.0° |
| HACA | CAC | CBB | CAX | 59.9° | 60.0° |
| HACB | CAC | CBB | CAX | 179.9° | 180.0° |
| OAD | CAT | OAF | CAN | 179.4° | 180.0° |
| OAD | CAT | CAN | CAV | 115.8° | 180.0° |
| OAD | CAT | CAN | HAN | 124.2° | 60.0° |
| OAD | CAT | CAN | HANA | 4.2° | 60.0° |
| HOAD | OAD | CAT | OAF | 0.0° | 0.0° |
| HOAD | OAD | CAT | CAN | 179.4° | 180.0° |
| OAE | CAU | NAQ | NAR | 177.4° | 180.0° |
| OAE | CAU | NAQ | CAY | 4.5° | 0.0° |
| OAE | CAU | NAQ | HNAQ | 175.5° | 180.0° |
| OAE | CAU | NAR | CAZ | 3.5° | 0.0° |
| OAE | CAU | NAR | HNAR | 176.5° | 180.0° |
| OAF | CAT | CAN | CAV | 64.7° | 0.0° |
| OAF | CAT | CAN | HAN | 55.2° | 120.0° |
| OAF | CAT | CAN | HANA | 175.3° | 120.0° |
| CAH | CAG | NAO | HAG | 180.0° | 179.7° |
| CAG | CAH | SAS | HAH | 180.0° | 180.0° |
| CAH | CAG | NAO | CAZ | 0.8° | 0.3° |
| CAG | CAH | SAS | CAZ | 0.7° | 0.2° |
| NAO | CAG | CAH | SAS | 0.1° | 0.0° |
| NAO | CAG | CAH | HAH | 179.9° | 180.0° |
| CAG | NAO | CAZ | NAR | 178.7° | 180.0° |
| CAG | NAO | CAZ | SAS | 1.3° | 0.4° |
| HAG | CAG | CAH | SAS | 179.9° | 179.7° |
| HAG | CAG | CAH | HAH | 0.1° | 0.3° |
| HAG | CAG | NAO | CAZ | 179.2° | 179.9° |
| CAH | SAS | CAZ | NAO | 1.1° | 0.3° |
| CAH | SAS | CAZ | NAR | 178.4° | 179.9° |
| HAH | CAH | SAS | CAZ | 179.3° | 179.8° |
| CAK | CAI | CAV | HAI | 180.0° | 179.8° |
| CAK | CAI | CAV | CAJ | 0.2° | 0.2° |
| CAI | CAK | CAW | HAK | 180.0° | 180.0° |
| CAI | CAK | CAW | CAL | 1.2° | 0.1° |
| CAK | CAI | CAV | CAN | 179.9° | 179.8° |
| CAI | CAK | CAW | NBA | 179.1° | 180.0° |
| CAI | CAV | CAJ | CAL | 0.5° | 0.5° |
| CAI | CAV | CAJ | CAN | 179.7° | 180.0° |
| CAI | CAV | CAJ | HAJ | 179.5° | 180.0° |
| CAV | CAI | CAK | CAW | 0.6° | 0.1° |
| CAV | CAI | CAK | HAK | 179.4° | 180.0° |
| CAI | CAV | CAN | CAT | 85.6° | 90.0° |
| CAI | CAV | CAN | HAN | 154.4° | 30.0° |
| CAI | CAV | CAN | HANA | 34.5° | 150.0° |
| HAI | CAI | CAV | CAJ | 179.8° | 180.0° |
| HAI | CAI | CAK | CAW | 179.4° | 179.7° |
| HAI | CAI | CAK | HAK | 0.6° | 0.3° |
| HAI | CAI | CAV | CAN | 0.1° | 0.0° |
| CAL | CAJ | CAV | HAJ | 180.0° | 179.4° |
| CAJ | CAL | CAW | CAK | 0.9° | 0.2° |
| CAJ | CAL | CAW | HAL | 180.0° | 179.5° |
| CAL | CAJ | CAV | CAN | 179.8° | 179.4° |
| CAJ | CAL | CAW | NBA | 178.9° | 179.7° |
| CAV | CAJ | CAL | CAW | 0.1° | 0.5° |
| CAV | CAJ | CAL | HAL | 179.9° | 180.0° |
| CAJ | CAV | CAN | CAT | 94.1° | 90.0° |
| CAJ | CAV | CAN | HAN | 25.9° | 150.0° |
| CAJ | CAV | CAN | HANA | 145.8° | 30.0° |
| HAJ | CAJ | CAL | CAW | 179.9° | 180.0° |
| HAJ | CAJ | CAL | HAL | 0.1° | 0.6° |
| HAJ | CAJ | CAV | CAN | 0.2° | 0.0° |
| CAK | CAW | CAL | NBA | 178.0° | 179.9° |
| CAK | CAW | CAL | HAL | 179.1° | 179.7° |
| CAK | CAW | NBA | NAP | 128.1° | 34.9° |
| CAK | CAW | NBA | CAY | 52.0° | 145.0° |
| HAK | CAK | CAW | CAL | 178.8° | 180.0° |
| HAK | CAK | CAW | NBA | 0.9° | 0.1° |
| CAL | CAW | NBA | NAP | 49.8° | 145.0° |
| CAL | CAW | NBA | CAY | 130.1° | 35.1° |
| HAL | CAL | CAW | NBA | 1.1° | 0.2° |
| CAX | CAM | CAY | HAM | 180.0° | 179.8° |
| CAM | CAX | NAP | CBB | 179.5° | 180.0° |
| CAM | CAX | NAP | NBA | 0.4° | 0.0° |
| CAX | CAM | CAY | NAQ | 178.1° | 179.9° |
| CAX | CAM | CAY | NBA | 1.1° | 0.0° |
| CAY | CAM | CAX | NAP | 0.9° | 0.0° |
| CAM | CAY | NBA | NAP | 1.0° | 0.0° |
| CAM | CAY | NAQ | CAU | 28.0° | 0.0° |
| CAM | CAY | NAQ | NBA | 176.4° | 180.0° |
| CAM | CAY | NAQ | HNAQ | 152.0° | 180.0° |
| CAM | CAY | NBA | CAW | 178.9° | 180.0° |
| CAY | CAM | CAX | CBB | 179.6° | 180.0° |
| HAM | CAM | CAX | NAP | 179.0° | 179.7° |
| HAM | CAM | CAY | NAQ | 1.9° | 0.3° |
| HAM | CAM | CAX | CBB | 0.5° | 0.3° |
| HAM | CAM | CAY | NBA | 178.8° | 179.7° |
| CAV | CAN | CAT | HAN | 120.0° | 120.0° |
| CAV | CAN | CAT | HANA | 120.0° | 120.0° |
| CAV | CAN | HAN | HANA | 119.9° | 120.0° |
| CAT | CAN | HAN | HANA | 119.9° | 120.0° |
| NAO | CAZ | NAR | SAS | 176.9° | 179.6° |
| NAO | CAZ | NAR | CAU | 173.4° | 180.0° |
| NAO | CAZ | NAR | HNAR | 6.6° | 0.0° |
| CAX | NAP | NBA | CAW | 179.6° | 180.0° |
| CAX | NAP | NBA | CAY | 0.4° | 0.0° |
| NAP | NBA | CAY | NAQ | 178.0° | 179.9° |
| NAP | NBA | CAW | CAY | 179.9° | 179.9° |
| NBA | NAP | CAX | CBB | 179.9° | 180.0° |
| CAU | NAQ | CAY | HNAQ | 180.0° | 179.9° |
| NAQ | CAU | NAR | CAZ | 179.1° | 180.0° |
| NAQ | CAU | NAR | HNAR | 0.9° | 0.0° |
| CAU | NAQ | CAY | NBA | 155.6° | 180.0° |
| CAY | NAQ | CAU | NAR | 178.1° | 180.0° |
| NAQ | CAY | NBA | CAW | 2.0° | 0.0° |
| HNAQ | NAQ | CAU | NAR | 1.9° | 0.0° |
| HNAQ | NAQ | CAY | NBA | 24.4° | 0.1° |
| CAZ | NAR | CAU | HNAR | 180.0° | 180.0° |
| CAU | NAR | CAZ | SAS | 3.4° | 0.4° |
| HNAR | NAR | CAZ | SAS | 176.6° | 179.5° |
