640
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAU | sing | 1.35Å | 1.24Å | |
| CAU | OAG | doub | 1.22Å | 1.24Å | |
| CAU | CAH | sing | 1.48Å | 1.50Å | |
| CAH | CAI | doub | 1.34Å | 1.54Å | |
| CAI | CAV | sing | 1.48Å | 1.49Å | |
| CAV | OAE | doub | 1.22Å | 1.23Å | |
| CAV | NAS | sing | 1.35Å | 1.42Å | |
| NAS | NAT | sing | 1.40Å | 1.38Å | |
| NAT | CAW | sing | 1.35Å | 1.46Å | |
| CAW | OAF | doub | 1.22Å | 1.20Å | |
| CAW | CBA | sing | 1.48Å | 1.49Å | |
| CBA | CAP | sing | 1.40Å | 1.38Å | Aromatic |
| CBA | CAZ | doub | 1.40Å | 1.41Å | Aromatic |
| CAP | NAR | doub | 1.32Å | 1.33Å | Aromatic |
| NAR | CAJ | sing | 1.32Å | 1.35Å | Aromatic |
| CAJ | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAZ | sing | 1.38Å | 1.42Å | Aromatic |
| CAZ | CAQ | sing | 1.51Å | 1.56Å | |
| CAQ | CAX | sing | 1.51Å | 1.55Å | |
| CAX | CAK | sing | 1.38Å | 1.38Å | Aromatic |
| CAX | CAL | doub | 1.38Å | 1.37Å | Aromatic |
| CAK | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAY | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | CBB | sing | 1.51Å | 1.56Å | |
| CAY | CAO | doub | 1.38Å | 1.38Å | Aromatic |
| CBB | CAB | sing | 1.53Å | 1.50Å | |
| CBB | CAC | sing | 1.53Å | 1.51Å | |
| CBB | CAA | sing | 1.53Å | 1.56Å | |
| CAO | CAL | sing | 1.38Å | 1.37Å | Aromatic |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| NAS | HAS | sing | 0.97Å | 1.00Å | |
| NAT | HAT | sing | 0.97Å | 1.00Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ1 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAC | HAC3 | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAU | OAG | 120.7° | 120.0° |
| OAD | CAU | CAH | 119.3° | 120.0° |
| CAU | OAD | HAD | 109.5° | 117.1° |
| OAG | CAU | CAH | 119.9° | 120.0° |
| CAU | CAH | CAI | 104.7° | 120.0° |
| CAU | CAH | HAH | 127.6° | 120.0° |
| CAH | CAI | CAV | 111.9° | 120.0° |
| CAI | CAH | HAH | 127.7° | 120.0° |
| CAH | CAI | HAI | 124.0° | 120.0° |
| CAI | CAV | OAE | 121.0° | 120.0° |
| CAI | CAV | NAS | 115.9° | 120.0° |
| CAV | CAI | HAI | 124.1° | 120.0° |
| OAE | CAV | NAS | 123.0° | 120.0° |
| CAV | NAS | NAT | 117.1° | 120.0° |
| CAV | NAS | HAS | 121.4° | 120.0° |
| NAS | NAT | CAW | 120.8° | 120.0° |
| NAT | NAS | HAS | 121.4° | 120.0° |
| NAS | NAT | HAT | 119.6° | 120.0° |
| NAT | CAW | OAF | 121.8° | 120.0° |
| NAT | CAW | CBA | 119.7° | 120.0° |
| CAW | NAT | HAT | 119.6° | 120.0° |
| OAF | CAW | CBA | 118.4° | 120.0° |
| CAW | CBA | CAP | 118.1° | 120.6° |
| CAW | CBA | CAZ | 120.4° | 120.6° |
| CAP | CBA | CAZ | 121.4° | 118.9° |
| CBA | CAP | NAR | 120.9° | 120.6° |
| CBA | CAP | HAP | 119.5° | 119.7° |
| CBA | CAZ | CAM | 117.1° | 118.3° |
| CBA | CAZ | CAQ | 118.5° | 120.9° |
| CAP | NAR | CAJ | 120.0° | 121.9° |
| NAR | CAP | HAP | 119.6° | 119.7° |
| NAR | CAJ | CAM | 123.1° | 121.1° |
| NAR | CAJ | HAJ | 118.5° | 119.5° |
| CAJ | CAM | CAZ | 117.5° | 119.3° |
| CAM | CAJ | HAJ | 118.5° | 119.5° |
| CAJ | CAM | HAM | 121.3° | 120.3° |
| CAM | CAZ | CAQ | 124.2° | 120.8° |
| CAZ | CAM | HAM | 121.2° | 120.4° |
| CAZ | CAQ | CAX | 116.9° | 109.5° |
| CAZ | CAQ | HAQ1 | 107.6° | 109.4° |
| CAZ | CAQ | HAQ2 | 107.6° | 109.5° |
| CAQ | CAX | CAK | 121.6° | 120.0° |
| CAQ | CAX | CAL | 115.7° | 120.0° |
| CAX | CAQ | HAQ1 | 107.6° | 109.5° |
| CAX | CAQ | HAQ2 | 107.6° | 109.5° |
| CAK | CAX | CAL | 122.5° | 120.0° |
| CAX | CAK | CAN | 117.6° | 120.0° |
| CAX | CAK | HAK | 121.2° | 120.0° |
| CAX | CAL | CAO | 118.9° | 120.0° |
| CAX | CAL | HAL | 120.5° | 120.0° |
| CAK | CAN | CAY | 120.4° | 120.0° |
| CAN | CAK | HAK | 121.2° | 120.0° |
| CAK | CAN | HAN | 119.8° | 120.0° |
| CAN | CAY | CBB | 124.2° | 120.0° |
| CAN | CAY | CAO | 120.1° | 120.0° |
| CAY | CAN | HAN | 119.8° | 119.9° |
| CBB | CAY | CAO | 115.7° | 120.0° |
| CAY | CBB | CAB | 107.1° | 109.4° |
| CAY | CBB | CAC | 111.8° | 109.5° |
| CAY | CBB | CAA | 110.2° | 109.5° |
| CAY | CAO | CAL | 120.4° | 120.0° |
| CAY | CAO | HAO | 119.8° | 120.0° |
| CAB | CBB | CAC | 112.1° | 109.5° |
| CAB | CBB | CAA | 106.2° | 109.5° |
| CBB | CAB | HAB1 | 109.5° | 109.5° |
| CBB | CAB | HAB2 | 109.5° | 109.5° |
| CBB | CAB | HAB3 | 109.5° | 109.4° |
| CAC | CBB | CAA | 109.3° | 109.5° |
| CBB | CAC | HAC1 | 109.5° | 109.4° |
| CBB | CAC | HAC2 | 109.5° | 109.4° |
| CBB | CAC | HAC3 | 109.5° | 109.5° |
| CBB | CAA | HAA1 | 109.5° | 109.5° |
| CBB | CAA | HAA2 | 109.4° | 109.4° |
| CBB | CAA | HAA3 | 109.5° | 109.4° |
| CAO | CAL | HAL | 120.5° | 120.0° |
| CAL | CAO | HAO | 119.8° | 120.0° |
| HAQ1 | CAQ | HAQ2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB2 | 109.4° | 109.4° |
| HAB1 | CAB | HAB3 | 109.4° | 109.5° |
| HAB2 | CAB | HAB3 | 109.5° | 109.4° |
| HAC1 | CAC | HAC2 | 109.5° | 109.5° |
| HAC1 | CAC | HAC3 | 109.5° | 109.5° |
| HAC2 | CAC | HAC3 | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAU | OAG | CAH | 178.6° | 180.0° |
| OAD | CAU | CAH | CAI | 121.5° | 180.0° |
| OAD | CAU | CAH | HAH | 58.5° | 0.0° |
| OAG | CAU | CAH | CAI | 57.1° | 0.0° |
| OAG | CAU | OAD | HAD | 0.0° | 0.0° |
| OAG | CAU | CAH | HAH | 122.9° | 180.0° |
| CAU | CAH | CAI | HAH | 180.0° | 180.0° |
| CAU | CAH | CAI | CAV | 177.1° | 180.0° |
| CAH | CAU | OAD | HAD | 178.6° | 180.0° |
| CAU | CAH | CAI | HAI | 2.8° | 0.0° |
| CAH | CAI | CAV | HAI | 180.0° | 180.0° |
| CAH | CAI | CAV | OAE | 7.8° | 0.0° |
| CAH | CAI | CAV | NAS | 170.9° | 180.0° |
| CAI | CAV | OAE | NAS | 178.5° | 180.0° |
| CAI | CAV | NAS | NAT | 177.8° | 180.0° |
| CAV | CAI | CAH | HAH | 2.8° | 0.0° |
| CAI | CAV | NAS | HAS | 2.3° | 0.0° |
| OAE | CAV | NAS | NAT | 0.8° | 0.0° |
| OAE | CAV | CAI | HAI | 172.2° | 180.0° |
| OAE | CAV | NAS | HAS | 179.1° | 180.0° |
| CAV | NAS | NAT | HAS | 180.0° | 180.0° |
| CAV | NAS | NAT | CAW | 126.7° | 180.0° |
| NAS | CAV | CAI | HAI | 9.2° | 0.0° |
| CAV | NAS | NAT | HAT | 53.3° | 0.0° |
| NAS | NAT | CAW | HAT | 180.0° | 180.0° |
| NAS | NAT | CAW | OAF | 1.9° | 0.0° |
| NAS | NAT | CAW | CBA | 178.6° | 180.0° |
| NAT | CAW | OAF | CBA | 176.8° | 180.0° |
| NAT | CAW | CBA | CAP | 74.1° | 5.7° |
| NAT | CAW | CBA | CAZ | 109.7° | 174.0° |
| CAW | NAT | NAS | HAS | 53.3° | 0.0° |
| OAF | CAW | CBA | CAP | 102.7° | 174.3° |
| OAF | CAW | CBA | CAZ | 73.5° | 5.9° |
| OAF | CAW | NAT | HAT | 178.1° | 180.0° |
| CAW | CBA | CAP | CAZ | 176.1° | 179.7° |
| CAW | CBA | CAP | NAR | 179.0° | 180.0° |
| CAW | CBA | CAZ | CAM | 179.8° | 179.7° |
| CAW | CBA | CAZ | CAQ | 4.5° | 0.0° |
| CBA | CAW | NAT | HAT | 1.4° | 0.0° |
| CAW | CBA | CAP | HAP | 1.0° | 0.0° |
| CBA | CAP | NAR | HAP | 180.0° | 179.9° |
| CBA | CAP | NAR | CAJ | 0.8° | 0.0° |
| CAP | CBA | CAZ | CAM | 4.1° | 0.6° |
| CAP | CBA | CAZ | CAQ | 179.4° | 179.8° |
| CAZ | CBA | CAP | NAR | 2.9° | 0.3° |
| CBA | CAZ | CAM | CAJ | 3.3° | 0.6° |
| CBA | CAZ | CAM | CAQ | 175.0° | 179.7° |
| CBA | CAZ | CAQ | CAX | 143.7° | 175.6° |
| CAZ | CBA | CAP | HAP | 177.1° | 179.8° |
| CBA | CAZ | CAM | HAM | 176.7° | 179.7° |
| CBA | CAZ | CAQ | HAQ1 | 95.3° | 55.5° |
| CBA | CAZ | CAQ | HAQ2 | 22.6° | 64.4° |
| CAP | NAR | CAJ | CAM | 0.2° | 0.0° |
| CAP | NAR | CAJ | HAJ | 179.8° | 180.0° |
| NAR | CAJ | CAM | HAJ | 180.0° | 180.0° |
| NAR | CAJ | CAM | CAZ | 1.5° | 0.4° |
| CAJ | NAR | CAP | HAP | 179.2° | 179.9° |
| NAR | CAJ | CAM | HAM | 178.5° | 180.0° |
| CAJ | CAM | CAZ | HAM | 180.0° | 179.7° |
| CAJ | CAM | CAZ | CAQ | 178.4° | 179.7° |
| CAM | CAZ | CAQ | CAX | 41.3° | 4.8° |
| CAZ | CAM | CAJ | HAJ | 178.5° | 179.7° |
| CAM | CAZ | CAQ | HAQ1 | 79.7° | 124.8° |
| CAM | CAZ | CAQ | HAQ2 | 162.4° | 115.2° |
| CAZ | CAQ | CAX | HAQ1 | 121.1° | 120.0° |
| CAZ | CAQ | CAX | HAQ2 | 121.1° | 120.0° |
| CAZ | CAQ | CAX | CAK | 80.8° | 94.5° |
| CAZ | CAQ | CAX | CAL | 103.4° | 85.8° |
| CAQ | CAZ | CAM | HAM | 1.7° | 0.0° |
| CAZ | CAQ | HAQ1 | HAQ2 | 116.6° | 120.0° |
| CAQ | CAX | CAK | CAL | 175.6° | 179.7° |
| CAQ | CAX | CAK | CAN | 177.1° | 180.0° |
| CAQ | CAX | CAL | CAO | 177.7° | 179.8° |
| CAX | CAQ | HAQ1 | HAQ2 | 116.7° | 120.0° |
| CAQ | CAX | CAK | HAK | 2.9° | 0.1° |
| CAQ | CAX | CAL | HAL | 2.3° | 0.0° |
| CAX | CAK | CAN | HAK | 180.0° | 179.9° |
| CAX | CAK | CAN | CAY | 0.5° | 0.1° |
| CAK | CAX | CAL | CAO | 1.9° | 0.6° |
| CAK | CAX | CAQ | HAQ1 | 158.2° | 25.5° |
| CAK | CAX | CAQ | HAQ2 | 40.3° | 145.5° |
| CAK | CAX | CAL | HAL | 178.1° | 179.7° |
| CAX | CAK | CAN | HAN | 179.5° | 179.9° |
| CAL | CAX | CAK | CAN | 1.5° | 0.4° |
| CAX | CAL | CAO | CAY | 1.1° | 0.5° |
| CAX | CAL | CAO | HAL | 180.0° | 179.8° |
| CAL | CAX | CAQ | HAQ1 | 17.7° | 154.2° |
| CAL | CAX | CAQ | HAQ2 | 135.5° | 34.2° |
| CAL | CAX | CAK | HAK | 178.5° | 179.7° |
| CAX | CAL | CAO | HAO | 178.9° | 179.8° |
| CAK | CAN | CAY | HAN | 180.0° | 180.0° |
| CAK | CAN | CAY | CBB | 178.4° | 180.0° |
| CAK | CAN | CAY | CAO | 0.2° | 0.0° |
| CAN | CAY | CBB | CAO | 178.7° | 180.0° |
| CAN | CAY | CBB | CAB | 17.9° | 60.0° |
| CAN | CAY | CBB | CAC | 105.3° | 180.0° |
| CAN | CAY | CBB | CAA | 132.9° | 60.0° |
| CAN | CAY | CAO | CAL | 0.1° | 0.2° |
| CAY | CAN | CAK | HAK | 179.5° | 180.0° |
| CAN | CAY | CAO | HAO | 179.9° | 179.9° |
| CAY | CBB | CAB | CAC | 123.0° | 120.0° |
| CAY | CBB | CAB | CAA | 117.7° | 120.0° |
| CAY | CBB | CAC | CAA | 122.2° | 120.0° |
| CBB | CAY | CAO | CAL | 178.9° | 179.8° |
| CBB | CAY | CAN | HAN | 1.5° | 0.0° |
| CBB | CAY | CAO | HAO | 1.1° | 0.1° |
| CAY | CBB | CAB | HAB1 | 180.0° | 60.0° |
| CAY | CBB | CAB | HAB2 | 60.0° | 180.0° |
| CAY | CBB | CAB | HAB3 | 60.0° | 60.0° |
| CAY | CBB | CAC | HAC1 | 180.0° | 60.1° |
| CAY | CBB | CAC | HAC2 | 60.0° | 180.0° |
| CAY | CBB | CAC | HAC3 | 60.0° | 60.0° |
| CAY | CBB | CAA | HAA1 | 180.0° | 60.0° |
| CAY | CBB | CAA | HAA2 | 60.0° | 180.0° |
| CAY | CBB | CAA | HAA3 | 60.0° | 60.0° |
| CAO | CAY | CBB | CAB | 163.4° | 120.0° |
| CAO | CAY | CBB | CAC | 73.4° | 0.0° |
| CAO | CAY | CBB | CAA | 48.3° | 120.0° |
| CAY | CAO | CAL | HAO | 180.0° | 179.7° |
| CAY | CAO | CAL | HAL | 178.9° | 179.8° |
| CAO | CAY | CAN | HAN | 179.8° | 180.0° |
| CAB | CBB | CAC | CAA | 117.5° | 120.0° |
| CBB | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| CBB | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| CBB | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| CAB | CBB | CAC | HAC1 | 59.7° | 180.0° |
| CAB | CBB | CAC | HAC2 | 60.3° | 60.0° |
| CAB | CBB | CAC | HAC3 | 179.7° | 59.9° |
| CAB | CBB | CAA | HAA1 | 64.4° | 60.0° |
| CAB | CBB | CAA | HAA2 | 175.6° | 60.0° |
| CAB | CBB | CAA | HAA3 | 55.6° | 180.0° |
| CAC | CBB | CAB | HAB1 | 57.0° | 59.9° |
| CAC | CBB | CAB | HAB2 | 177.0° | 60.1° |
| CAC | CBB | CAB | HAB3 | 62.9° | 180.0° |
| CBB | CAC | HAC1 | HAC2 | 120.0° | 119.9° |
| CBB | CAC | HAC1 | HAC3 | 120.0° | 120.0° |
| CBB | CAC | HAC2 | HAC3 | 120.0° | 120.0° |
| CAC | CBB | CAA | HAA1 | 56.8° | 180.0° |
| CAC | CBB | CAA | HAA2 | 63.3° | 60.0° |
| CAC | CBB | CAA | HAA3 | 176.8° | 60.0° |
| CAA | CBB | CAB | HAB1 | 62.3° | 180.0° |
| CAA | CBB | CAB | HAB2 | 57.7° | 60.0° |
| CAA | CBB | CAB | HAB3 | 177.7° | 60.0° |
| CAA | CBB | CAC | HAC1 | 57.8° | 60.0° |
| CAA | CBB | CAC | HAC2 | 177.8° | 60.0° |
| CAA | CBB | CAC | HAC3 | 62.2° | 180.0° |
| CBB | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CBB | CAA | HAA1 | HAA3 | 120.0° | 119.9° |
| CBB | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAH | CAH | CAI | HAI | 177.2° | NaN° |
| HAS | NAS | NAT | HAT | 126.7° | NaN° |
| HAJ | CAJ | CAM | HAM | 1.5° | 0.0° |
| HAK | CAK | CAN | HAN | 0.5° | 0.0° |
| HAL | CAL | CAO | HAO | 1.1° | 0.0° |
| HAB1 | CAB | HAB2 | HAB3 | 119.9° | 120.0° |
| HAC1 | CAC | HAC2 | HAC3 | 120.0° | 120.1° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
