673
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAD | doub | 1.31Å | 1.49Å | |
| CAB | CAW | sing | 1.53Å | 1.52Å | |
| CAC | CAW | sing | 1.53Å | 1.52Å | |
| CAD | CAM | sing | 1.51Å | 1.32Å | |
| CAE | CAF | doub | 1.38Å | 1.37Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAS | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAU | sing | 1.51Å | 1.48Å | |
| CAN | CAO | sing | 1.53Å | 1.52Å | |
| CAN | CAP | sing | 1.53Å | 1.52Å | |
| CAO | NAQ | sing | 1.47Å | 1.45Å | |
| CAP | OAR | sing | 1.43Å | 1.41Å | |
| NAQ | CAW | sing | 1.47Å | 1.46Å | |
| OAR | CAV | sing | 1.36Å | 1.37Å | |
| CAS | CAT | sing | 1.48Å | 1.40Å | Aromatic |
| CAU | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAA | HAAA | sing | 1.08Å | 1.08Å | |
| 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 | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| 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 | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| NAQ | HNAQ | sing | 1.01Å | 1.00Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAD | CAM | 142.2° | 120.0° |
| CAD | CAA | HAA | 120.0° | 119.9° |
| CAD | CAA | HAAA | 120.0° | 120.1° |
| CAA | CAD | HAD | 108.9° | 120.0° |
| CAB | CAW | CAC | 111.9° | 109.5° |
| CAB | CAW | NAQ | 108.6° | 109.5° |
| CAW | CAB | HAB | 109.5° | 109.5° |
| CAW | CAB | HABA | 109.5° | 109.5° |
| CAW | CAB | HABB | 109.5° | 109.5° |
| CAB | CAW | HAW | 108.1° | 109.5° |
| CAC | CAW | NAQ | 108.5° | 109.5° |
| CAW | CAC | HAC | 109.5° | 109.5° |
| CAW | CAC | HACA | 109.5° | 109.4° |
| CAW | CAC | HACB | 109.5° | 109.5° |
| CAC | CAW | HAW | 108.3° | 109.5° |
| CAD | CAM | CAU | 132.1° | 109.5° |
| CAM | CAD | HAD | 108.9° | 120.0° |
| CAD | CAM | HAM | 102.5° | 109.4° |
| CAD | CAM | HAMA | 102.5° | 109.5° |
| CAF | CAE | CAG | 117.4° | 120.2° |
| CAE | CAF | CAH | 120.0° | 120.1° |
| CAF | CAE | HAE | 121.3° | 119.8° |
| CAE | CAF | HAF | 120.0° | 119.9° |
| CAE | CAG | CAI | 121.9° | 120.2° |
| CAG | CAE | HAE | 121.3° | 119.9° |
| CAE | CAG | HAG | 119.0° | 119.9° |
| CAF | CAH | CAS | 123.7° | 119.9° |
| CAH | CAF | HAF | 120.0° | 119.9° |
| CAF | CAH | HAH | 118.1° | 120.1° |
| CAG | CAI | CAS | 121.6° | 119.8° |
| CAI | CAG | HAG | 119.0° | 119.9° |
| CAG | CAI | HAI | 119.2° | 120.1° |
| CAH | CAS | CAI | 115.0° | 119.8° |
| CAH | CAS | CAT | 123.8° | 120.1° |
| CAS | CAH | HAH | 118.2° | 120.1° |
| CAI | CAS | CAT | 120.9° | 120.1° |
| CAS | CAI | HAI | 119.2° | 120.1° |
| CAK | CAJ | CAT | 120.1° | 120.0° |
| CAJ | CAK | CAV | 121.1° | 120.1° |
| CAK | CAJ | HAJ | 119.9° | 120.0° |
| CAJ | CAK | HAK | 119.5° | 120.0° |
| CAJ | CAT | CAL | 117.8° | 119.8° |
| CAJ | CAT | CAS | 122.0° | 120.1° |
| CAT | CAJ | HAJ | 120.0° | 120.0° |
| CAK | CAV | OAR | 119.9° | 120.0° |
| CAK | CAV | CAU | 119.9° | 120.1° |
| CAV | CAK | HAK | 119.4° | 119.9° |
| CAT | CAL | CAU | 123.4° | 119.9° |
| CAL | CAT | CAS | 120.1° | 120.1° |
| CAT | CAL | HAL | 118.3° | 120.0° |
| CAL | CAU | CAM | 121.7° | 119.9° |
| CAL | CAU | CAV | 117.7° | 120.1° |
| CAU | CAL | HAL | 118.4° | 120.1° |
| CAM | CAU | CAV | 120.4° | 120.0° |
| CAU | CAM | HAM | 102.5° | 109.5° |
| CAU | CAM | HAMA | 102.5° | 109.5° |
| CAO | CAN | CAP | 111.0° | 109.5° |
| CAN | CAO | NAQ | 110.8° | 109.5° |
| CAO | CAN | HAN | 109.0° | 109.5° |
| CAO | CAN | HANA | 109.0° | 109.5° |
| CAN | CAO | HAO | 109.0° | 109.5° |
| CAN | CAO | HAOA | 109.1° | 109.5° |
| CAN | CAP | OAR | 109.5° | 109.5° |
| CAP | CAN | HAN | 109.0° | 109.4° |
| CAP | CAN | HANA | 109.0° | 109.4° |
| CAN | CAP | HAP | 109.5° | 109.5° |
| CAN | CAP | HAPA | 109.5° | 109.5° |
| CAO | NAQ | CAW | 118.3° | 111.0° |
| NAQ | CAO | HAO | 109.0° | 109.4° |
| NAQ | CAO | HAOA | 109.0° | 109.4° |
| CAO | NAQ | HNAQ | 106.6° | 111.0° |
| CAP | OAR | CAV | 120.4° | 117.0° |
| OAR | CAP | HAP | 109.5° | 109.4° |
| OAR | CAP | HAPA | 109.5° | 109.5° |
| CAW | NAQ | HNAQ | 106.6° | 111.0° |
| NAQ | CAW | HAW | 111.5° | 109.5° |
| OAR | CAV | CAU | 120.1° | 119.9° |
| HAA | CAA | HAAA | 120.0° | 120.0° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.4° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| HAC | CAC | HACA | 109.5° | 109.5° |
| HAC | CAC | HACB | 109.4° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| HAM | CAM | HAMA | 115.4° | 109.5° |
| HAN | CAN | HANA | 110.0° | 109.4° |
| HAO | CAO | HAOA | 109.9° | 109.4° |
| HAP | CAP | HAPA | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAD | CAM | HAD | 180.0° | 180.0° |
| CAA | CAD | CAM | CAU | 25.1° | 125.0° |
| CAD | CAA | HAA | HAAA | 180.0° | 179.8° |
| CAA | CAD | CAM | HAM | 145.1° | 115.0° |
| CAA | CAD | CAM | HAMA | 94.9° | 5.0° |
| CAB | CAW | CAC | NAQ | 119.8° | 120.0° |
| CAB | CAW | CAC | HAW | 119.0° | 120.0° |
| CAB | CAW | NAQ | CAO | 172.8° | 155.0° |
| CAB | CAW | NAQ | HAW | 119.0° | 120.0° |
| CAW | CAB | HAB | HABA | 120.0° | 120.0° |
| CAW | CAB | HAB | HABB | 120.0° | 120.0° |
| CAW | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CAW | CAC | HAC | 180.0° | 180.0° |
| CAB | CAW | CAC | HACA | 60.0° | 60.0° |
| CAB | CAW | CAC | HACB | 60.0° | 60.0° |
| CAB | CAW | NAQ | HNAQ | 67.2° | 31.1° |
| CAC | CAW | NAQ | CAO | 65.3° | 85.0° |
| CAC | CAW | NAQ | HAW | 119.1° | 120.0° |
| CAC | CAW | CAB | HAB | 180.0° | 60.0° |
| CAC | CAW | CAB | HABA | 60.0° | 180.0° |
| CAC | CAW | CAB | HABB | 60.0° | 60.0° |
| CAW | CAC | HAC | HACA | 120.0° | 120.0° |
| CAW | CAC | HAC | HACB | 120.0° | 120.0° |
| CAW | CAC | HACA | HACB | 120.0° | 120.0° |
| CAC | CAW | NAQ | HNAQ | 54.7° | 151.0° |
| CAD | CAM | CAU | CAL | 19.2° | 95.0° |
| CAD | CAM | CAU | HAM | 120.0° | 119.9° |
| CAD | CAM | CAU | HAMA | 120.0° | 120.0° |
| CAD | CAM | CAU | CAV | 166.0° | 85.0° |
| CAM | CAD | CAA | HAA | 0.0° | 0.1° |
| CAM | CAD | CAA | HAAA | 180.0° | 179.8° |
| CAD | CAM | HAM | HAMA | 110.6° | 120.0° |
| CAF | CAE | CAG | HAE | 180.0° | 179.7° |
| CAE | CAF | CAH | HAF | 180.0° | 180.0° |
| CAF | CAE | CAG | CAI | 4.3° | 0.1° |
| CAE | CAF | CAH | CAS | 3.0° | 0.0° |
| CAF | CAE | CAG | HAG | 175.8° | 180.0° |
| CAE | CAF | CAH | HAH | 177.0° | 180.0° |
| CAG | CAE | CAF | CAH | 2.6° | 0.0° |
| CAE | CAG | CAI | HAG | 180.0° | 179.9° |
| CAE | CAG | CAI | CAS | 0.4° | 0.1° |
| CAG | CAE | CAF | HAF | 177.4° | 180.0° |
| CAE | CAG | CAI | HAI | 179.5° | 180.0° |
| CAF | CAH | CAS | HAH | 180.0° | 179.9° |
| CAF | CAH | CAS | CAI | 6.6° | 0.0° |
| CAF | CAH | CAS | CAT | 178.7° | 179.9° |
| CAH | CAF | CAE | HAE | 177.4° | 179.7° |
| CAG | CAI | CAS | CAH | 4.8° | 0.0° |
| CAG | CAI | CAS | HAI | 180.0° | 179.9° |
| CAG | CAI | CAS | CAT | 179.7° | 180.0° |
| CAI | CAG | CAE | HAE | 175.7° | 179.7° |
| CAH | CAS | CAI | CAT | 174.9° | 180.0° |
| CAH | CAS | CAT | CAJ | 6.0° | 0.0° |
| CAH | CAS | CAT | CAL | 170.0° | 180.0° |
| CAS | CAH | CAF | HAF | 177.0° | 180.0° |
| CAH | CAS | CAI | HAI | 175.2° | 180.0° |
| CAI | CAS | CAT | CAJ | 179.6° | 180.0° |
| CAI | CAS | CAT | CAL | 4.4° | 0.0° |
| CAS | CAI | CAG | HAG | 179.6° | 180.0° |
| CAI | CAS | CAH | HAH | 173.4° | 180.0° |
| CAK | CAJ | CAT | HAJ | 180.0° | 179.7° |
| CAJ | CAK | CAV | HAK | 180.0° | 180.0° |
| CAK | CAJ | CAT | CAL | 1.0° | 0.0° |
| CAJ | CAK | CAV | OAR | 177.9° | 180.0° |
| CAK | CAJ | CAT | CAS | 177.1° | 180.0° |
| CAJ | CAK | CAV | CAU | 2.2° | 0.0° |
| CAT | CAJ | CAK | CAV | 0.4° | 0.0° |
| CAJ | CAT | CAL | CAS | 176.2° | 180.0° |
| CAJ | CAT | CAL | CAU | 0.6° | 0.0° |
| CAT | CAJ | CAK | HAK | 179.6° | 180.0° |
| CAJ | CAT | CAL | HAL | 179.4° | 179.9° |
| CAK | CAV | CAU | CAL | 2.5° | 0.1° |
| CAK | CAV | CAU | CAM | 177.6° | 180.0° |
| CAK | CAV | OAR | CAP | 75.1° | 0.0° |
| CAK | CAV | OAR | CAU | 175.7° | 180.0° |
| CAV | CAK | CAJ | HAJ | 179.6° | 179.8° |
| CAT | CAL | CAU | HAL | 180.0° | 179.9° |
| CAT | CAL | CAU | CAM | 176.1° | 180.0° |
| CAT | CAL | CAU | CAV | 1.1° | 0.0° |
| CAL | CAT | CAJ | HAJ | 179.0° | 179.7° |
| CAL | CAU | CAM | CAV | 174.9° | 179.9° |
| CAL | CAU | CAV | OAR | 178.2° | 180.0° |
| CAU | CAL | CAT | CAS | 176.8° | 180.0° |
| CAL | CAU | CAM | HAM | 100.8° | 145.0° |
| CAL | CAU | CAM | HAMA | 139.2° | 25.0° |
| CAM | CAU | CAV | OAR | 6.7° | 0.1° |
| CAU | CAM | CAD | HAD | 154.9° | 55.0° |
| CAM | CAU | CAL | HAL | 3.8° | 0.1° |
| CAU | CAM | HAM | HAMA | 110.6° | 120.0° |
| CAO | CAN | CAP | HAN | 120.0° | 120.1° |
| CAO | CAN | CAP | HANA | 120.0° | 120.0° |
| CAN | CAO | NAQ | HAO | 120.0° | 120.0° |
| CAN | CAO | NAQ | HAOA | 120.0° | 120.1° |
| CAO | CAN | CAP | OAR | 54.2° | 180.0° |
| CAN | CAO | NAQ | CAW | 169.1° | 180.0° |
| CAO | CAN | HAN | HANA | 119.4° | 120.0° |
| CAN | CAO | HAO | HAOA | 119.5° | 120.1° |
| CAO | CAN | CAP | HAP | 65.9° | 60.0° |
| CAO | CAN | CAP | HAPA | 174.2° | 60.0° |
| CAN | CAO | NAQ | HNAQ | 70.9° | 56.1° |
| CAP | CAN | CAO | NAQ | 179.2° | 180.0° |
| CAN | CAP | OAR | HAP | 120.0° | 120.0° |
| CAN | CAP | OAR | HAPA | 120.0° | 120.0° |
| CAN | CAP | OAR | CAV | 174.9° | 180.0° |
| CAP | CAN | HAN | HANA | 119.4° | 119.9° |
| CAP | CAN | CAO | HAO | 60.8° | 60.0° |
| CAP | CAN | CAO | HAOA | 59.2° | 60.0° |
| CAN | CAP | HAP | HAPA | 120.0° | 120.0° |
| CAO | NAQ | CAW | HNAQ | 120.0° | 123.9° |
| NAQ | CAO | CAN | HAN | 60.8° | 60.0° |
| NAQ | CAO | CAN | HANA | 59.2° | 60.0° |
| NAQ | CAO | HAO | HAOA | 119.4° | 119.9° |
| CAO | NAQ | CAW | HAW | 53.8° | 35.0° |
| CAP | OAR | CAV | CAU | 109.1° | 180.0° |
| OAR | CAP | CAN | HAN | 174.1° | 60.0° |
| OAR | CAP | CAN | HANA | 65.8° | 59.9° |
| OAR | CAP | HAP | HAPA | 120.0° | 120.0° |
| NAQ | CAW | CAB | HAB | 60.2° | 180.0° |
| NAQ | CAW | CAB | HABA | 179.8° | 60.0° |
| NAQ | CAW | CAB | HABB | 59.7° | 60.0° |
| NAQ | CAW | CAC | HAC | 60.2° | 60.0° |
| NAQ | CAW | CAC | HACA | 59.9° | 180.0° |
| NAQ | CAW | CAC | HACB | 179.9° | 60.0° |
| CAW | NAQ | CAO | HAO | 49.1° | 60.0° |
| CAW | NAQ | CAO | HAOA | 70.9° | 59.9° |
| OAR | CAV | CAK | HAK | 2.1° | 0.0° |
| CAV | OAR | CAP | HAP | 65.1° | 60.0° |
| CAV | OAR | CAP | HAPA | 54.9° | 60.0° |
| CAT | CAS | CAH | HAH | 1.3° | 0.0° |
| CAT | CAS | CAI | HAI | 0.3° | 0.1° |
| CAS | CAT | CAJ | HAJ | 2.9° | 0.2° |
| CAS | CAT | CAL | HAL | 3.2° | 0.0° |
| CAU | CAV | CAK | HAK | 177.9° | 179.9° |
| CAV | CAU | CAL | HAL | 178.9° | 180.0° |
| CAV | CAU | CAM | HAM | 74.1° | 34.9° |
| CAV | CAU | CAM | HAMA | 45.9° | 155.0° |
| HAA | CAA | CAD | HAD | 180.0° | 180.0° |
| HAAA | CAA | CAD | HAD | 0.1° | 0.2° |
| HAB | CAB | HABA | HABB | 120.0° | 119.9° |
| HAB | CAB | CAW | HAW | 60.9° | 60.0° |
| HABA | CAB | CAW | HAW | 59.1° | 60.0° |
| HABB | CAB | CAW | HAW | 179.1° | 180.0° |
| HAC | CAC | HACA | HACB | 119.9° | 120.0° |
| HAC | CAC | CAW | HAW | 61.0° | 60.0° |
| HACA | CAC | CAW | HAW | 179.0° | 60.0° |
| HACB | CAC | CAW | HAW | 59.0° | 180.0° |
| HAD | CAD | CAM | HAM | 34.9° | 65.0° |
| HAD | CAD | CAM | HAMA | 85.1° | 175.0° |
| HAE | CAE | CAF | HAF | 2.6° | 0.3° |
| HAE | CAE | CAG | HAG | 4.2° | 0.3° |
| HAF | CAF | CAH | HAH | 3.0° | 0.0° |
| HAG | CAG | CAI | HAI | 0.4° | 0.1° |
| HAJ | CAJ | CAK | HAK | 0.4° | 0.2° |
| HAN | CAN | CAO | HAO | 59.2° | 60.0° |
| HAN | CAN | CAO | HAOA | 179.2° | 180.0° |
| HAN | CAN | CAP | HAP | 54.1° | 179.9° |
| HAN | CAN | CAP | HAPA | 65.8° | 60.0° |
| HANA | CAN | CAO | HAO | 179.2° | 180.0° |
| HANA | CAN | CAO | HAOA | 60.8° | 60.0° |
| HANA | CAN | CAP | HAP | 174.1° | 60.0° |
| HANA | CAN | CAP | HAPA | 54.2° | 179.9° |
| HAO | CAO | NAQ | HNAQ | 169.1° | 176.1° |
| HAOA | CAO | NAQ | HNAQ | 49.1° | 64.0° |
| HNAQ | NAQ | CAW | HAW | 173.8° | 89.0° |
