HWM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAO | CAN | sing | 1.36Å | 1.36Å | |
| OAT | CAS | doub | 1.22Å | 1.25Å | |
| CAN | CAS | sing | 1.42Å | 1.40Å | |
| CAN | CAM | doub | 1.35Å | 1.37Å | |
| CAS | CAR | sing | 1.41Å | 1.40Å | |
| CAM | NAL | sing | 1.36Å | 1.38Å | |
| CAR | CAQ | doub | 1.35Å | 1.40Å | |
| NAL | CAQ | sing | 1.36Å | 1.38Å | |
| NAL | CAK | sing | 1.40Å | 1.35Å | |
| CAQ | CAP | sing | 1.51Å | 1.40Å | |
| CAH | CAK | doub | 1.39Å | 1.37Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAF | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAI | doub | 1.38Å | 1.41Å | Aromatic |
| CAF | CAI | sing | 1.40Å | 1.41Å | Aromatic |
| CAF | CAE | sing | 1.48Å | 1.34Å | |
| NAC | CAE | doub | 1.32Å | 1.35Å | Aromatic |
| NAC | NAB | sing | 1.28Å | 1.30Å | Aromatic |
| CAE | NAD | sing | 1.36Å | 1.35Å | Aromatic |
| NAB | NAA | doub | 1.29Å | 1.31Å | Aromatic |
| NAD | NAA | sing | 1.41Å | 1.33Å | Aromatic |
| NAD | H1 | sing | 0.97Å | 1.00Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAM | H6 | sing | 1.08Å | 1.08Å | |
| OAO | H7 | sing | 0.97Å | 0.95Å | |
| CAR | H8 | sing | 1.08Å | 1.08Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAO | CAN | CAS | 117.4° | 120.4° |
| OAO | CAN | CAM | 120.5° | 120.4° |
| CAN | OAO | H7 | 109.5° | 114.0° |
| OAT | CAS | CAN | 119.8° | 120.6° |
| OAT | CAS | CAR | 122.9° | 120.7° |
| CAS | CAN | CAM | 122.1° | 119.2° |
| CAN | CAS | CAR | 117.3° | 118.7° |
| CAN | CAM | NAL | 119.7° | 120.6° |
| CAN | CAM | H6 | 120.1° | 119.7° |
| CAS | CAR | CAQ | 120.5° | 119.3° |
| CAS | CAR | H8 | 119.7° | 120.3° |
| CAM | NAL | CAQ | 119.9° | 121.4° |
| CAM | NAL | CAK | 113.7° | 119.3° |
| NAL | CAM | H6 | 120.1° | 119.7° |
| CAR | CAQ | NAL | 120.4° | 120.8° |
| CAR | CAQ | CAP | 118.5° | 119.6° |
| CAQ | CAR | H8 | 119.8° | 120.4° |
| CAQ | NAL | CAK | 126.3° | 119.3° |
| NAL | CAQ | CAP | 121.2° | 119.6° |
| NAL | CAK | CAH | 122.9° | 119.9° |
| NAL | CAK | CAJ | 118.5° | 119.9° |
| CAQ | CAP | H9 | 109.5° | 109.5° |
| CAQ | CAP | H10 | 109.4° | 109.5° |
| CAQ | CAP | H11 | 109.5° | 109.5° |
| CAK | CAH | CAG | 120.8° | 120.0° |
| CAH | CAK | CAJ | 118.4° | 120.1° |
| CAK | CAH | H5 | 119.6° | 119.9° |
| CAH | CAG | CAF | 121.9° | 119.9° |
| CAH | CAG | H4 | 119.1° | 120.0° |
| CAG | CAH | H5 | 119.6° | 120.0° |
| CAK | CAJ | CAI | 121.6° | 120.1° |
| CAK | CAJ | H3 | 119.2° | 119.9° |
| CAG | CAF | CAI | 117.9° | 119.9° |
| CAG | CAF | CAE | 119.5° | 120.0° |
| CAF | CAG | H4 | 119.1° | 120.0° |
| CAJ | CAI | CAF | 119.4° | 119.9° |
| CAJ | CAI | H2 | 120.3° | 120.0° |
| CAI | CAJ | H3 | 119.2° | 120.0° |
| CAI | CAF | CAE | 122.5° | 120.1° |
| CAF | CAI | H2 | 120.3° | 120.0° |
| CAF | CAE | NAC | 125.3° | 126.5° |
| CAF | CAE | NAD | 124.4° | 126.5° |
| CAE | NAC | NAB | 105.5° | 110.5° |
| NAC | CAE | NAD | 110.2° | 107.0° |
| NAC | NAB | NAA | 110.2° | 110.4° |
| CAE | NAD | NAA | 104.1° | 105.2° |
| CAE | NAD | H1 | 127.9° | 127.4° |
| NAB | NAA | NAD | 110.0° | 106.8° |
| NAA | NAD | H1 | 128.0° | 127.4° |
| H9 | CAP | H10 | 109.5° | 109.4° |
| H9 | CAP | H11 | 109.5° | 109.4° |
| H10 | CAP | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAO | CAN | CAS | OAT | 3.6° | 0.1° |
| OAO | CAN | CAS | CAM | 178.9° | 180.0° |
| OAO | CAN | CAS | CAR | 176.5° | 180.0° |
| OAO | CAN | CAM | NAL | 175.6° | 180.0° |
| OAO | CAN | CAM | H6 | 4.4° | 0.0° |
| OAT | CAS | CAN | CAR | 179.9° | 179.9° |
| OAT | CAS | CAN | CAM | 177.6° | 180.0° |
| OAT | CAS | CAR | CAQ | 179.3° | 180.0° |
| OAT | CAS | CAR | H8 | 0.7° | 0.0° |
| CAS | CAN | CAM | NAL | 3.3° | 0.0° |
| CAN | CAS | CAR | CAQ | 0.6° | 0.0° |
| CAS | CAN | CAM | H6 | 176.7° | 179.9° |
| CAS | CAN | OAO | H7 | 1.7° | 0.1° |
| CAN | CAS | CAR | H8 | 179.4° | 179.9° |
| CAM | CAN | CAS | CAR | 2.4° | 0.0° |
| CAN | CAM | NAL | H6 | 180.0° | 179.9° |
| CAN | CAM | NAL | CAQ | 2.3° | 0.0° |
| CAN | CAM | NAL | CAK | 178.7° | 179.7° |
| CAM | CAN | OAO | H7 | 179.5° | 180.0° |
| CAS | CAR | CAQ | H8 | 180.0° | 180.0° |
| CAS | CAR | CAQ | NAL | 0.2° | 0.0° |
| CAS | CAR | CAQ | CAP | 179.9° | 179.7° |
| CAM | NAL | CAQ | CAR | 0.6° | 0.0° |
| CAM | NAL | CAQ | CAK | 175.9° | 179.7° |
| CAM | NAL | CAQ | CAP | 179.3° | 179.7° |
| CAM | NAL | CAK | CAH | 70.4° | 87.8° |
| CAM | NAL | CAK | CAJ | 104.4° | 91.3° |
| CAR | CAQ | NAL | CAP | 179.9° | 179.7° |
| CAR | CAQ | NAL | CAK | 176.5° | 179.7° |
| CAR | CAQ | CAP | H9 | 180.0° | 95.5° |
| CAR | CAQ | CAP | H10 | 60.0° | 24.5° |
| CAR | CAQ | CAP | H11 | 60.0° | 144.6° |
| CAQ | NAL | CAK | CAH | 113.5° | 91.9° |
| CAQ | NAL | CAK | CAJ | 71.7° | 89.0° |
| CAQ | NAL | CAM | H6 | 177.7° | 179.9° |
| NAL | CAQ | CAR | H8 | 179.8° | 180.0° |
| NAL | CAQ | CAP | H9 | 0.1° | 84.9° |
| NAL | CAQ | CAP | H10 | 120.1° | 155.2° |
| NAL | CAQ | CAP | H11 | 119.9° | 35.1° |
| CAK | NAL | CAQ | CAP | 3.4° | 0.0° |
| NAL | CAK | CAH | CAJ | 174.8° | 179.1° |
| NAL | CAK | CAH | CAG | 176.4° | 180.0° |
| NAL | CAK | CAJ | CAI | 177.5° | 179.7° |
| NAL | CAK | CAJ | H3 | 2.5° | 0.4° |
| NAL | CAK | CAH | H5 | 3.6° | 0.9° |
| CAK | NAL | CAM | H6 | 1.3° | 0.4° |
| CAP | CAQ | CAR | H8 | 0.1° | 0.3° |
| CAQ | CAP | H9 | H10 | 120.0° | 120.0° |
| CAQ | CAP | H9 | H11 | 120.0° | 120.0° |
| CAQ | CAP | H10 | H11 | 120.0° | 120.1° |
| CAK | CAH | CAG | H5 | 180.0° | 179.1° |
| CAK | CAH | CAG | CAF | 1.0° | 0.6° |
| CAH | CAK | CAJ | CAI | 2.5° | 0.6° |
| CAH | CAK | CAJ | H3 | 177.6° | 179.5° |
| CAK | CAH | CAG | H4 | 179.0° | 179.4° |
| CAG | CAH | CAK | CAJ | 1.6° | 0.9° |
| CAH | CAG | CAF | H4 | 180.0° | 180.0° |
| CAH | CAG | CAF | CAI | 1.2° | 0.0° |
| CAH | CAG | CAF | CAE | 177.0° | 179.7° |
| CAK | CAJ | CAI | H3 | 180.0° | 179.9° |
| CAK | CAJ | CAI | CAF | 2.7° | 0.1° |
| CAK | CAJ | CAI | H2 | 177.3° | 179.9° |
| CAJ | CAK | CAH | H5 | 178.4° | 180.0° |
| CAG | CAF | CAI | CAJ | 2.0° | 0.3° |
| CAG | CAF | CAI | CAE | 175.7° | 179.7° |
| CAG | CAF | CAE | NAC | 17.9° | 179.7° |
| CAG | CAF | CAE | NAD | 157.6° | 0.8° |
| CAG | CAF | CAI | H2 | 178.0° | 179.7° |
| CAF | CAG | CAH | H5 | 179.0° | 179.7° |
| CAJ | CAI | CAF | H2 | 180.0° | 180.0° |
| CAJ | CAI | CAF | CAE | 177.6° | 180.0° |
| CAI | CAF | CAE | NAC | 166.4° | 0.0° |
| CAI | CAF | CAE | NAD | 18.0° | 179.5° |
| CAF | CAI | CAJ | H3 | 177.4° | 179.9° |
| CAI | CAF | CAG | H4 | 178.8° | 180.0° |
| CAF | CAE | NAC | NAD | 176.1° | 179.6° |
| CAF | CAE | NAC | NAB | 177.2° | 180.0° |
| CAF | CAE | NAD | NAA | 177.8° | 179.9° |
| CAF | CAE | NAD | H1 | 2.1° | 0.3° |
| CAE | CAF | CAI | H2 | 2.3° | 0.0° |
| CAE | CAF | CAG | H4 | 3.0° | 0.3° |
| CAE | NAC | NAB | NAA | 0.0° | 0.3° |
| NAC | CAE | NAD | NAA | 1.8° | 0.4° |
| NAC | CAE | NAD | H1 | 178.2° | 179.9° |
| NAB | NAC | CAE | NAD | 1.1° | 0.4° |
| NAC | NAB | NAA | NAD | 1.2° | 0.1° |
| CAE | NAD | NAA | NAB | 1.8° | 0.2° |
| CAE | NAD | NAA | H1 | 180.0° | 179.8° |
| NAB | NAA | NAD | H1 | 178.2° | 179.9° |
| H2 | CAI | CAJ | H3 | 2.7° | 0.0° |
| H4 | CAG | CAH | H5 | 1.0° | 0.3° |
| H9 | CAP | H10 | H11 | 120.0° | 119.9° |
