HO1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAV | doub | 1.22Å | 1.23Å | |
| OAD | CAS | sing | 1.36Å | 1.37Å | |
| CAV | CAS | sing | 1.47Å | 1.37Å | |
| CAV | CAI | sing | 1.41Å | 1.38Å | |
| CAS | CAU | doub | 1.37Å | 1.42Å | |
| CAI | CAR | doub | 1.38Å | 1.40Å | |
| OAC | CAO | doub | 1.22Å | 1.25Å | |
| CAU | CAO | sing | 1.47Å | 1.40Å | |
| CAU | NAN | sing | 1.37Å | 1.39Å | |
| NAK | NAM | sing | 1.41Å | 1.25Å | Aromatic |
| NAK | NAJ | doub | 1.29Å | 1.34Å | Aromatic |
| NAM | CAT | sing | 1.36Å | 1.36Å | Aromatic |
| CAO | OAA | sing | 1.35Å | 1.24Å | |
| CAR | NAN | sing | 1.36Å | 1.42Å | |
| CAR | CAP | sing | 1.48Å | 1.42Å | |
| CAH | CAP | doub | 1.39Å | 1.41Å | Aromatic |
| CAH | CAQ | sing | 1.39Å | 1.41Å | Aromatic |
| NAJ | NAL | sing | 1.28Å | 1.38Å | Aromatic |
| CAP | CAF | sing | 1.40Å | 1.41Å | Aromatic |
| CAT | CAQ | sing | 1.48Å | 1.38Å | |
| CAT | NAL | doub | 1.32Å | 1.34Å | Aromatic |
| CAQ | CAG | doub | 1.40Å | 1.40Å | Aromatic |
| CAF | CAE | doub | 1.38Å | 1.41Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.41Å | Aromatic |
| OAA | H1 | sing | 0.97Å | 0.95Å | |
| NAN | H2 | sing | 0.97Å | 1.00Å | |
| OAD | H3 | sing | 0.97Å | 0.95Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| CAE | H7 | sing | 1.08Å | 1.08Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| NAM | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAV | CAS | 119.5° | 120.9° |
| OAB | CAV | CAI | 121.0° | 120.8° |
| OAD | CAS | CAV | 114.7° | 120.6° |
| OAD | CAS | CAU | 123.9° | 120.6° |
| CAS | OAD | H3 | 109.5° | 114.0° |
| CAS | CAV | CAI | 119.5° | 118.3° |
| CAV | CAS | CAU | 121.4° | 118.8° |
| CAV | CAI | CAR | 122.0° | 119.4° |
| CAV | CAI | H4 | 119.0° | 120.3° |
| CAS | CAU | CAO | 124.7° | 119.8° |
| CAS | CAU | NAN | 118.2° | 120.5° |
| CAI | CAR | NAN | 117.5° | 121.2° |
| CAI | CAR | CAP | 120.4° | 119.4° |
| CAR | CAI | H4 | 119.0° | 120.3° |
| OAC | CAO | CAU | 121.7° | 120.0° |
| OAC | CAO | OAA | 117.6° | 120.0° |
| CAO | CAU | NAN | 117.1° | 119.7° |
| CAU | CAO | OAA | 120.5° | 120.0° |
| CAU | NAN | CAR | 121.4° | 121.8° |
| CAU | NAN | H2 | 119.3° | 119.1° |
| NAM | NAK | NAJ | 108.0° | 106.8° |
| NAK | NAM | CAT | 111.0° | 105.2° |
| NAK | NAM | H9 | 124.5° | 127.4° |
| NAK | NAJ | NAL | 109.0° | 110.4° |
| NAM | CAT | CAQ | 125.4° | 126.5° |
| NAM | CAT | NAL | 107.1° | 107.0° |
| CAT | NAM | H9 | 124.5° | 127.4° |
| CAO | OAA | H1 | 109.5° | 117.0° |
| NAN | CAR | CAP | 122.1° | 119.4° |
| CAR | NAN | H2 | 119.3° | 119.1° |
| CAR | CAP | CAH | 120.7° | 120.1° |
| CAR | CAP | CAF | 123.2° | 120.1° |
| CAP | CAH | CAQ | 125.2° | 119.7° |
| CAH | CAP | CAF | 116.0° | 119.9° |
| CAP | CAH | H5 | 117.4° | 120.2° |
| CAH | CAQ | CAT | 118.9° | 120.0° |
| CAH | CAQ | CAG | 117.0° | 119.9° |
| CAQ | CAH | H5 | 117.4° | 120.1° |
| NAJ | NAL | CAT | 104.9° | 110.5° |
| CAP | CAF | CAE | 120.3° | 120.1° |
| CAP | CAF | H6 | 119.8° | 120.0° |
| CAQ | CAT | NAL | 127.5° | 126.5° |
| CAT | CAQ | CAG | 124.0° | 120.1° |
| CAQ | CAG | CAE | 119.5° | 120.2° |
| CAQ | CAG | H8 | 120.3° | 119.9° |
| CAF | CAE | CAG | 121.9° | 120.3° |
| CAE | CAF | H6 | 119.8° | 119.9° |
| CAF | CAE | H7 | 119.0° | 119.9° |
| CAG | CAE | H7 | 119.0° | 119.8° |
| CAE | CAG | H8 | 120.2° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAV | CAS | OAD | 0.4° | 0.0° |
| OAB | CAV | CAS | CAI | 178.7° | 180.0° |
| OAB | CAV | CAS | CAU | 179.4° | 179.9° |
| OAB | CAV | CAI | CAR | 179.5° | 179.8° |
| OAB | CAV | CAI | H4 | 0.5° | 0.0° |
| OAD | CAS | CAV | CAU | 179.8° | 179.9° |
| OAD | CAS | CAV | CAI | 178.3° | 180.0° |
| OAD | CAS | CAU | CAO | 1.9° | 0.1° |
| OAD | CAS | CAU | NAN | 178.5° | 179.8° |
| CAS | CAV | CAI | CAR | 0.8° | 0.2° |
| CAV | CAS | CAU | CAO | 177.9° | 180.0° |
| CAV | CAS | CAU | NAN | 1.7° | 0.4° |
| CAV | CAS | OAD | H3 | 0.2° | 0.1° |
| CAS | CAV | CAI | H4 | 179.2° | 180.0° |
| CAI | CAV | CAS | CAU | 1.9° | 0.1° |
| CAV | CAI | CAR | H4 | 180.0° | 179.8° |
| CAV | CAI | CAR | NAN | 0.5° | 0.2° |
| CAV | CAI | CAR | CAP | 179.9° | 180.0° |
| CAS | CAU | CAO | OAC | 5.4° | 179.7° |
| CAS | CAU | CAO | NAN | 179.6° | 179.6° |
| CAS | CAU | CAO | OAA | 179.9° | 0.3° |
| CAS | CAU | NAN | CAR | 0.4° | 0.3° |
| CAS | CAU | NAN | H2 | 179.6° | 179.7° |
| CAU | CAS | OAD | H3 | 179.6° | 180.0° |
| CAI | CAR | NAN | CAU | 0.7° | 0.0° |
| CAI | CAR | NAN | CAP | 179.4° | 179.7° |
| CAI | CAR | CAP | CAH | 13.4° | 0.3° |
| CAI | CAR | CAP | CAF | 165.7° | 180.0° |
| CAI | CAR | NAN | H2 | 179.3° | 180.0° |
| OAC | CAO | CAU | OAA | 174.7° | 180.0° |
| OAC | CAO | CAU | NAN | 174.2° | 0.0° |
| OAC | CAO | OAA | H1 | 0.0° | 0.0° |
| CAO | CAU | NAN | CAR | 179.3° | 180.0° |
| CAU | CAO | OAA | H1 | 174.9° | 180.0° |
| CAO | CAU | NAN | H2 | 0.7° | 0.1° |
| NAN | CAU | CAO | OAA | 0.5° | 180.0° |
| CAU | NAN | CAR | H2 | 180.0° | 180.0° |
| CAU | NAN | CAR | CAP | 179.9° | 179.7° |
| NAK | NAM | CAT | H9 | 180.0° | 179.9° |
| NAM | NAK | NAJ | NAL | 0.1° | 0.3° |
| NAK | NAM | CAT | CAQ | 179.0° | 180.0° |
| NAK | NAM | CAT | NAL | 0.6° | 0.3° |
| NAJ | NAK | NAM | CAT | 0.3° | 0.0° |
| NAK | NAJ | NAL | CAT | 0.5° | 0.5° |
| NAJ | NAK | NAM | H9 | 179.7° | 179.9° |
| NAM | CAT | CAQ | CAH | 21.1° | 179.7° |
| NAM | CAT | NAL | NAJ | 0.6° | 0.5° |
| NAM | CAT | CAQ | NAL | 178.0° | 179.7° |
| NAM | CAT | CAQ | CAG | 159.8° | 0.3° |
| NAN | CAR | CAP | CAH | 166.0° | 179.4° |
| NAN | CAR | CAP | CAF | 14.9° | 0.3° |
| NAN | CAR | CAI | H4 | 179.5° | 179.9° |
| CAR | CAP | CAH | CAF | 179.2° | 179.7° |
| CAR | CAP | CAH | CAQ | 179.9° | 180.0° |
| CAR | CAP | CAF | CAE | 179.8° | 180.0° |
| CAP | CAR | NAN | H2 | 0.1° | 0.3° |
| CAP | CAR | CAI | H4 | 0.1° | 0.2° |
| CAR | CAP | CAH | H5 | 0.1° | 0.0° |
| CAR | CAP | CAF | H6 | 0.3° | 0.1° |
| CAP | CAH | CAQ | H5 | 180.0° | 180.0° |
| CAP | CAH | CAQ | CAT | 179.0° | 180.0° |
| CAP | CAH | CAQ | CAG | 0.2° | 0.0° |
| CAH | CAP | CAF | CAE | 1.0° | 0.3° |
| CAH | CAP | CAF | H6 | 178.9° | 179.8° |
| CAQ | CAH | CAP | CAF | 0.9° | 0.2° |
| CAH | CAQ | CAT | CAG | 179.2° | 179.9° |
| CAH | CAQ | CAT | NAL | 156.9° | 0.0° |
| CAH | CAQ | CAG | CAE | 0.4° | 0.3° |
| CAH | CAQ | CAG | H8 | 179.6° | 180.0° |
| NAJ | NAL | CAT | CAQ | 178.9° | 179.8° |
| CAP | CAF | CAE | H6 | 180.0° | 179.9° |
| CAP | CAF | CAE | CAG | 0.5° | 0.0° |
| CAF | CAP | CAH | H5 | 179.1° | 179.8° |
| CAP | CAF | CAE | H7 | 179.5° | 179.9° |
| CAT | CAQ | CAG | CAE | 179.6° | 179.8° |
| CAT | CAQ | CAH | H5 | 1.0° | 0.0° |
| CAT | CAQ | CAG | H8 | 0.4° | 0.1° |
| CAQ | CAT | NAM | H9 | 1.1° | 0.1° |
| NAL | CAT | CAQ | CAG | 22.3° | 179.9° |
| NAL | CAT | NAM | H9 | 179.4° | 179.8° |
| CAQ | CAG | CAE | CAF | 0.2° | 0.2° |
| CAQ | CAG | CAE | H8 | 180.0° | 179.7° |
| CAG | CAQ | CAH | H5 | 179.8° | 180.0° |
| CAQ | CAG | CAE | H7 | 179.7° | 179.7° |
| CAF | CAE | CAG | H7 | 180.0° | 179.9° |
| CAF | CAE | CAG | H8 | 179.8° | 179.9° |
| CAG | CAE | CAF | H6 | 179.4° | 180.0° |
| H6 | CAF | CAE | H7 | 0.5° | 0.1° |
| H7 | CAE | CAG | H8 | 0.3° | 0.0° |
