DH5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBB | CAY | sing | 1.51Å | 1.40Å | |
| CAY | CAV | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | CAZ | doub | 1.38Å | 1.41Å | Aromatic |
| CAV | CAW | doub | 1.38Å | 1.40Å | Aromatic |
| CAZ | BR1 | sing | 1.89Å | 1.93Å | |
| CAZ | CBA | sing | 1.38Å | 1.38Å | Aromatic |
| CBA | CAX | doub | 1.38Å | 1.40Å | Aromatic |
| CAX | CAW | sing | 1.38Å | 1.41Å | Aromatic |
| CAW | CAT | sing | 1.51Å | 1.41Å | |
| CAT | NAO | sing | 1.46Å | 1.51Å | |
| NAO | CAP | sing | 1.38Å | 1.38Å | |
| NAO | CAN | sing | 1.35Å | 1.35Å | |
| CAP | NAU | sing | 1.38Å | 1.36Å | |
| CAP | CAH | doub | 1.37Å | 1.43Å | |
| CAN | OAM | doub | 1.22Å | 1.23Å | |
| CAN | NAF | sing | 1.35Å | 1.41Å | |
| NAF | CAG | sing | 1.35Å | 1.41Å | |
| CAG | OAA | doub | 1.22Å | 1.23Å | |
| CAG | CAH | sing | 1.41Å | 1.39Å | |
| CAH | NAI | sing | 1.41Å | 1.35Å | |
| NAI | CAB | sing | 1.47Å | 1.47Å | |
| NAI | SAJ | sing | 1.66Å | 1.71Å | |
| SAJ | OAQ | doub | 1.42Å | 1.51Å | |
| SAJ | OAC | doub | 1.42Å | 1.52Å | |
| SAJ | CAK | sing | 1.76Å | 1.74Å | |
| CAK | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| CAR | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CBB | HBB1 | sing | 1.09Å | 1.10Å | |
| CBB | HBB2 | sing | 1.09Å | 1.10Å | |
| CBB | HBB3 | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CBA | HBA | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| CAT | HAT1 | sing | 1.09Å | 1.10Å | |
| CAT | HAT2 | sing | 1.09Å | 1.10Å | |
| NAU | HAU1 | sing | 0.97Å | 1.00Å | |
| NAU | HAU2 | sing | 0.97Å | 1.00Å | |
| NAF | HAF | sing | 0.97Å | 1.00Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBB | CAY | CAV | 117.0° | 120.0° |
| CBB | CAY | CAZ | 122.7° | 120.0° |
| CAY | CBB | HBB1 | 109.5° | 109.5° |
| CAY | CBB | HBB2 | 109.5° | 109.5° |
| CAY | CBB | HBB3 | 109.5° | 109.5° |
| CAV | CAY | CAZ | 120.3° | 120.0° |
| CAY | CAV | CAW | 121.5° | 120.0° |
| CAY | CAV | HAV | 119.2° | 120.0° |
| CAY | CAZ | BR1 | 122.6° | 120.0° |
| CAY | CAZ | CBA | 119.4° | 120.0° |
| CAV | CAW | CAX | 116.7° | 120.0° |
| CAV | CAW | CAT | 119.2° | 120.0° |
| CAW | CAV | HAV | 119.3° | 120.0° |
| BR1 | CAZ | CBA | 118.0° | 120.0° |
| CAZ | CBA | CAX | 119.6° | 119.9° |
| CAZ | CBA | HBA | 120.2° | 120.0° |
| CBA | CAX | CAW | 122.5° | 120.1° |
| CAX | CBA | HBA | 120.2° | 120.0° |
| CBA | CAX | HAX | 118.7° | 120.0° |
| CAX | CAW | CAT | 124.1° | 120.0° |
| CAW | CAX | HAX | 118.7° | 120.0° |
| CAW | CAT | NAO | 112.9° | 109.4° |
| CAW | CAT | HAT1 | 108.6° | 109.5° |
| CAW | CAT | HAT2 | 108.6° | 109.5° |
| CAT | NAO | CAP | 123.4° | 119.8° |
| CAT | NAO | CAN | 116.9° | 119.8° |
| NAO | CAT | HAT1 | 108.6° | 109.5° |
| NAO | CAT | HAT2 | 108.6° | 109.5° |
| CAP | NAO | CAN | 119.7° | 120.4° |
| NAO | CAP | NAU | 122.2° | 120.3° |
| NAO | CAP | CAH | 120.2° | 119.4° |
| NAO | CAN | OAM | 120.0° | 119.5° |
| NAO | CAN | NAF | 121.6° | 121.0° |
| NAU | CAP | CAH | 117.5° | 120.3° |
| CAP | NAU | HAU1 | 109.5° | 120.0° |
| CAP | NAU | HAU2 | 109.5° | 120.1° |
| CAP | CAH | CAG | 120.4° | 119.0° |
| CAP | CAH | NAI | 123.2° | 120.5° |
| OAM | CAN | NAF | 118.4° | 119.5° |
| CAN | NAF | CAG | 120.2° | 120.6° |
| CAN | NAF | HAF | 119.9° | 119.7° |
| NAF | CAG | OAA | 120.1° | 120.2° |
| NAF | CAG | CAH | 117.9° | 119.6° |
| CAG | NAF | HAF | 119.9° | 119.7° |
| OAA | CAG | CAH | 122.0° | 120.2° |
| CAG | CAH | NAI | 116.4° | 120.5° |
| CAH | NAI | CAB | 116.7° | 120.0° |
| CAH | NAI | SAJ | 120.4° | 120.0° |
| CAB | NAI | SAJ | 122.7° | 120.0° |
| NAI | CAB | HAB1 | 109.5° | 109.5° |
| NAI | CAB | HAB2 | 109.4° | 109.4° |
| NAI | CAB | HAB3 | 109.4° | 109.5° |
| NAI | SAJ | OAQ | 110.0° | 106.4° |
| NAI | SAJ | OAC | 113.0° | 106.4° |
| NAI | SAJ | CAK | 108.0° | 107.2° |
| OAQ | SAJ | OAC | 109.1° | 123.2° |
| OAQ | SAJ | CAK | 106.4° | 106.4° |
| OAC | SAJ | CAK | 110.1° | 106.4° |
| SAJ | CAK | CAR | 119.6° | 120.0° |
| SAJ | CAK | CAD | 120.4° | 120.0° |
| CAR | CAK | CAD | 120.0° | 120.0° |
| CAK | CAR | CAS | 120.1° | 120.0° |
| CAK | CAR | HAR | 120.0° | 120.0° |
| CAK | CAD | CAE | 119.6° | 120.0° |
| CAK | CAD | HAD | 120.2° | 120.0° |
| CAR | CAS | CAL | 120.2° | 120.0° |
| CAS | CAR | HAR | 119.9° | 120.0° |
| CAR | CAS | HAS | 119.9° | 120.0° |
| CAS | CAL | CAE | 118.8° | 120.0° |
| CAL | CAS | HAS | 119.9° | 120.0° |
| CAS | CAL | HAL | 120.6° | 120.0° |
| CAL | CAE | CAD | 121.3° | 120.0° |
| CAE | CAL | HAL | 120.6° | 120.0° |
| CAL | CAE | HAE | 119.4° | 120.0° |
| CAE | CAD | HAD | 120.2° | 120.0° |
| CAD | CAE | HAE | 119.3° | 120.0° |
| HBB1 | CBB | HBB2 | 109.5° | 109.5° |
| HBB1 | CBB | HBB3 | 109.5° | 109.4° |
| HBB2 | CBB | HBB3 | 109.5° | 109.5° |
| HAT1 | CAT | HAT2 | 109.5° | 109.4° |
| HAU1 | NAU | HAU2 | 109.5° | 120.0° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.5° | 109.5° |
| HAB2 | CAB | HAB3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBB | CAY | CAV | CAZ | 179.3° | 179.7° |
| CBB | CAY | CAV | CAW | 179.8° | 180.0° |
| CBB | CAY | CAZ | BR1 | 1.2° | 0.0° |
| CBB | CAY | CAZ | CBA | 179.9° | 180.0° |
| CAY | CBB | HBB1 | HBB2 | 120.0° | 120.0° |
| CAY | CBB | HBB1 | HBB3 | 120.0° | 120.0° |
| CAY | CBB | HBB2 | HBB3 | 120.0° | 120.0° |
| CBB | CAY | CAV | HAV | 0.2° | 0.0° |
| CAY | CAV | CAW | HAV | 180.0° | 180.0° |
| CAV | CAY | CAZ | BR1 | 179.6° | 179.8° |
| CAV | CAY | CAZ | CBA | 0.6° | 0.3° |
| CAY | CAV | CAW | CAX | 1.0° | 0.0° |
| CAY | CAV | CAW | CAT | 179.8° | 180.0° |
| CAV | CAY | CBB | HBB1 | 90.3° | 90.0° |
| CAV | CAY | CBB | HBB2 | 149.7° | 150.0° |
| CAV | CAY | CBB | HBB3 | 29.7° | 30.0° |
| CAZ | CAY | CAV | CAW | 0.9° | 0.3° |
| CAY | CAZ | BR1 | CBA | 179.0° | 180.0° |
| CAY | CAZ | CBA | CAX | 0.6° | 0.0° |
| CAZ | CAY | CBB | HBB1 | 90.4° | 90.3° |
| CAZ | CAY | CBB | HBB2 | 29.6° | 29.8° |
| CAZ | CAY | CBB | HBB3 | 149.6° | 149.8° |
| CAZ | CAY | CAV | HAV | 179.1° | 179.8° |
| CAY | CAZ | CBA | HBA | 179.4° | 179.9° |
| CAV | CAW | CAX | CBA | 0.9° | 0.3° |
| CAV | CAW | CAX | CAT | 178.7° | 180.0° |
| CAV | CAW | CAT | NAO | 116.8° | 90.0° |
| CAV | CAW | CAX | HAX | 179.1° | 180.0° |
| CAV | CAW | CAT | HAT1 | 3.7° | 150.0° |
| CAV | CAW | CAT | HAT2 | 122.7° | 30.0° |
| BR1 | CAZ | CBA | CAX | 179.6° | 180.0° |
| BR1 | CAZ | CBA | HBA | 0.4° | 0.1° |
| CAZ | CBA | CAX | HBA | 180.0° | 179.9° |
| CAZ | CBA | CAX | CAW | 0.7° | 0.3° |
| CAZ | CBA | CAX | HAX | 179.3° | 180.0° |
| CBA | CAX | CAW | HAX | 180.0° | 179.7° |
| CBA | CAX | CAW | CAT | 179.7° | 179.8° |
| CAX | CAW | CAT | NAO | 64.5° | 90.0° |
| CAX | CAW | CAV | HAV | 179.0° | 180.0° |
| CAW | CAX | CBA | HBA | 179.3° | 179.7° |
| CAX | CAW | CAT | HAT1 | 175.0° | 30.0° |
| CAX | CAW | CAT | HAT2 | 56.1° | 149.9° |
| CAW | CAT | NAO | HAT1 | 120.5° | 120.0° |
| CAW | CAT | NAO | HAT2 | 120.5° | 120.0° |
| CAW | CAT | NAO | CAP | 91.8° | 90.0° |
| CAW | CAT | NAO | CAN | 88.9° | 90.3° |
| CAT | CAW | CAV | HAV | 0.2° | 0.0° |
| CAT | CAW | CAX | HAX | 0.3° | 0.1° |
| CAW | CAT | HAT1 | HAT2 | 118.4° | 120.0° |
| CAT | NAO | CAP | CAN | 179.4° | 179.6° |
| CAT | NAO | CAP | NAU | 0.2° | 0.0° |
| CAT | NAO | CAP | CAH | 179.1° | 180.0° |
| CAT | NAO | CAN | OAM | 0.9° | 0.0° |
| CAT | NAO | CAN | NAF | 179.6° | 180.0° |
| NAO | CAT | HAT1 | HAT2 | 118.4° | 120.0° |
| NAO | CAP | NAU | CAH | 179.3° | 180.0° |
| CAP | NAO | CAN | OAM | 178.5° | 179.7° |
| CAP | NAO | CAN | NAF | 1.0° | 0.3° |
| NAO | CAP | CAH | CAG | 1.7° | 0.0° |
| NAO | CAP | CAH | NAI | 179.5° | 180.0° |
| CAP | NAO | CAT | HAT1 | 28.7° | 30.0° |
| CAP | NAO | CAT | HAT2 | 147.7° | 150.0° |
| NAO | CAP | NAU | HAU1 | 180.0° | 6.4° |
| NAO | CAP | NAU | HAU2 | 60.0° | 173.7° |
| CAN | NAO | CAP | NAU | 179.2° | 179.7° |
| CAN | NAO | CAP | CAH | 1.5° | 0.3° |
| NAO | CAN | OAM | NAF | 179.5° | 180.0° |
| NAO | CAN | NAF | CAG | 0.6° | 0.0° |
| CAN | NAO | CAT | HAT1 | 150.6° | 149.7° |
| CAN | NAO | CAT | HAT2 | 31.7° | 29.7° |
| NAO | CAN | NAF | HAF | 179.4° | 179.9° |
| NAU | CAP | CAH | CAG | 179.0° | 180.0° |
| NAU | CAP | CAH | NAI | 1.2° | 0.0° |
| CAP | NAU | HAU1 | HAU2 | 120.0° | 179.9° |
| CAP | CAH | CAG | NAF | 1.3° | 0.3° |
| CAP | CAH | CAG | OAA | 179.9° | 180.0° |
| CAP | CAH | CAG | NAI | 177.9° | 180.0° |
| CAP | CAH | NAI | CAB | 96.9° | 48.3° |
| CAP | CAH | NAI | SAJ | 87.8° | 131.6° |
| CAH | CAP | NAU | HAU1 | 0.7° | 173.6° |
| CAH | CAP | NAU | HAU2 | 119.3° | 6.3° |
| OAM | CAN | NAF | CAG | 178.9° | 180.0° |
| OAM | CAN | NAF | HAF | 1.1° | 0.1° |
| CAN | NAF | CAG | HAF | 180.0° | 179.9° |
| CAN | NAF | CAG | OAA | 179.5° | 180.0° |
| CAN | NAF | CAG | CAH | 0.7° | 0.3° |
| NAF | CAG | OAA | CAH | 178.8° | 179.7° |
| NAF | CAG | CAH | NAI | 179.2° | 179.7° |
| OAA | CAG | CAH | NAI | 2.0° | 0.0° |
| OAA | CAG | NAF | HAF | 0.4° | 0.1° |
| CAG | CAH | NAI | CAB | 80.9° | 131.6° |
| CAG | CAH | NAI | SAJ | 94.3° | 48.5° |
| CAH | CAG | NAF | HAF | 179.2° | 179.8° |
| CAH | NAI | CAB | SAJ | 175.1° | 179.9° |
| CAH | NAI | SAJ | OAQ | 51.2° | 136.2° |
| CAH | NAI | SAJ | OAC | 173.5° | 3.2° |
| CAH | NAI | SAJ | CAK | 64.5° | 110.3° |
| CAH | NAI | CAB | HAB1 | 180.0° | 121.8° |
| CAH | NAI | CAB | HAB2 | 60.0° | 118.2° |
| CAH | NAI | CAB | HAB3 | 60.0° | 1.7° |
| CAB | NAI | SAJ | OAQ | 133.8° | 43.8° |
| CAB | NAI | SAJ | OAC | 11.5° | 176.7° |
| CAB | NAI | SAJ | CAK | 110.5° | 69.7° |
| NAI | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| NAI | CAB | HAB1 | HAB3 | 120.0° | 120.1° |
| NAI | CAB | HAB2 | HAB3 | 119.9° | 120.0° |
| NAI | SAJ | OAQ | OAC | 124.5° | 123.0° |
| NAI | SAJ | OAQ | CAK | 116.7° | 114.1° |
| NAI | SAJ | OAC | CAK | 120.8° | 114.1° |
| NAI | SAJ | CAK | CAR | 83.6° | 90.0° |
| NAI | SAJ | CAK | CAD | 94.3° | 90.3° |
| SAJ | NAI | CAB | HAB1 | 4.9° | 58.1° |
| SAJ | NAI | CAB | HAB2 | 124.9° | 61.9° |
| SAJ | NAI | CAB | HAB3 | 115.1° | 178.2° |
| OAQ | SAJ | OAC | CAK | 116.4° | 122.9° |
| OAQ | SAJ | CAK | CAR | 34.4° | 23.5° |
| OAQ | SAJ | CAK | CAD | 147.6° | 156.2° |
| OAC | SAJ | CAK | CAR | 152.5° | 156.5° |
| OAC | SAJ | CAK | CAD | 29.5° | 23.3° |
| SAJ | CAK | CAR | CAD | 178.0° | 179.7° |
| SAJ | CAK | CAR | CAS | 179.9° | 180.0° |
| SAJ | CAK | CAD | CAE | 178.9° | 179.8° |
| SAJ | CAK | CAR | HAR | 0.1° | 0.0° |
| SAJ | CAK | CAD | HAD | 1.2° | 0.0° |
| CAK | CAR | CAS | HAR | 180.0° | 180.0° |
| CAK | CAR | CAS | CAL | 1.7° | 0.0° |
| CAR | CAK | CAD | CAE | 0.9° | 0.5° |
| CAR | CAK | CAD | HAD | 179.1° | 179.7° |
| CAK | CAR | CAS | HAS | 178.3° | 180.0° |
| CAD | CAK | CAR | CAS | 1.9° | 0.3° |
| CAK | CAD | CAE | CAL | 0.4° | 0.5° |
| CAK | CAD | CAE | HAD | 180.0° | 179.8° |
| CAD | CAK | CAR | HAR | 178.1° | 179.7° |
| CAK | CAD | CAE | HAE | 179.6° | 179.7° |
| CAR | CAS | CAL | HAS | 180.0° | 180.0° |
| CAR | CAS | CAL | CAE | 0.5° | 0.0° |
| CAR | CAS | CAL | HAL | 179.5° | 179.9° |
| CAS | CAL | CAE | HAL | 180.0° | 179.9° |
| CAS | CAL | CAE | CAD | 0.5° | 0.2° |
| CAL | CAS | CAR | HAR | 178.3° | 180.0° |
| CAS | CAL | CAE | HAE | 179.5° | 180.0° |
| CAL | CAE | CAD | HAE | 180.0° | 179.8° |
| CAL | CAE | CAD | HAD | 179.6° | 179.7° |
| CAE | CAL | CAS | HAS | 179.5° | 180.0° |
| CAD | CAE | CAL | HAL | 179.4° | 179.9° |
| HBB1 | CBB | HBB2 | HBB3 | 120.0° | 119.9° |
| HBA | CBA | CAX | HAX | 0.7° | 0.0° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAR | CAR | CAS | HAS | 1.7° | 0.0° |
| HAD | CAD | CAE | HAE | 0.4° | 0.1° |
| HAS | CAS | CAL | HAL | 0.5° | 0.1° |
| HAL | CAL | CAE | HAE | 0.6° | 0.1° |
