HWJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAP | CAO | doub | 1.22Å | 1.25Å | |
| OAT | CAS | sing | 1.36Å | 1.33Å | |
| CAO | CAS | sing | 1.47Å | 1.39Å | |
| CAO | CAN | sing | 1.41Å | 1.39Å | |
| CAS | CAR | doub | 1.37Å | 1.39Å | |
| CAN | CAM | doub | 1.38Å | 1.39Å | |
| OAV | CAU | doub | 1.22Å | 1.27Å | |
| CAR | CAU | sing | 1.47Å | 1.38Å | |
| CAR | NAQ | sing | 1.37Å | 1.39Å | |
| CAI | CAH | sing | 1.51Å | 1.42Å | |
| CAM | NAQ | sing | 1.36Å | 1.38Å | |
| CAM | CAL | sing | 1.48Å | 1.39Å | |
| CAU | OAW | sing | 1.35Å | 1.22Å | |
| CAH | CAL | doub | 1.40Å | 1.42Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAL | CAK | sing | 1.40Å | 1.40Å | Aromatic |
| CAG | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAK | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAJ | sing | 1.40Å | 1.41Å | Aromatic |
| CAF | CAE | sing | 1.48Å | 1.32Å | |
| NAD | CAE | sing | 1.35Å | 1.35Å | Aromatic |
| NAD | NAA | sing | 1.29Å | 1.21Å | Aromatic |
| CAE | NAC | doub | 1.32Å | 1.33Å | Aromatic |
| NAA | NAB | doub | 1.29Å | 1.35Å | Aromatic |
| NAC | NAB | sing | 1.29Å | 1.26Å | Aromatic |
| OAW | H1 | sing | 0.97Å | 0.95Å | |
| OAT | H2 | sing | 0.97Å | 0.95Å | |
| CAN | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| NAD | H11 | sing | 0.97Å | 1.00Å | |
| NAQ | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAP | CAO | CAS | 123.6° | 120.8° |
| OAP | CAO | CAN | 119.4° | 120.8° |
| OAT | CAS | CAO | 117.9° | 120.6° |
| OAT | CAS | CAR | 120.3° | 120.6° |
| CAS | OAT | H2 | 109.5° | 114.0° |
| CAS | CAO | CAN | 117.0° | 118.4° |
| CAO | CAS | CAR | 121.8° | 118.8° |
| CAO | CAN | CAM | 121.9° | 119.4° |
| CAO | CAN | H3 | 119.1° | 120.3° |
| CAS | CAR | CAU | 127.0° | 119.8° |
| CAS | CAR | NAQ | 120.0° | 120.5° |
| CAN | CAM | NAQ | 120.1° | 121.2° |
| CAN | CAM | CAL | 117.3° | 119.4° |
| CAM | CAN | H3 | 119.0° | 120.3° |
| OAV | CAU | CAR | 125.6° | 120.0° |
| OAV | CAU | OAW | 119.9° | 120.0° |
| CAU | CAR | NAQ | 112.9° | 119.7° |
| CAR | CAU | OAW | 113.7° | 120.0° |
| CAR | NAQ | CAM | 119.1° | 121.8° |
| CAR | NAQ | H12 | 120.4° | 119.1° |
| CAI | CAH | CAL | 124.6° | 120.0° |
| CAI | CAH | CAG | 116.3° | 120.0° |
| CAH | CAI | H5 | 109.5° | 109.5° |
| CAH | CAI | H6 | 109.5° | 109.4° |
| CAH | CAI | H7 | 109.5° | 109.5° |
| NAQ | CAM | CAL | 122.6° | 119.4° |
| CAM | NAQ | H12 | 120.5° | 119.1° |
| CAM | CAL | CAH | 120.7° | 120.0° |
| CAM | CAL | CAK | 118.1° | 120.0° |
| CAU | OAW | H1 | 109.5° | 117.0° |
| CAL | CAH | CAG | 119.1° | 120.0° |
| CAH | CAL | CAK | 121.1° | 120.0° |
| CAH | CAG | CAF | 120.2° | 120.0° |
| CAH | CAG | H8 | 119.9° | 120.0° |
| CAL | CAK | CAJ | 119.1° | 120.0° |
| CAL | CAK | H9 | 120.4° | 120.0° |
| CAG | CAF | CAJ | 120.9° | 120.0° |
| CAG | CAF | CAE | 117.1° | 120.0° |
| CAF | CAG | H8 | 119.9° | 120.0° |
| CAK | CAJ | CAF | 119.7° | 120.0° |
| CAJ | CAK | H9 | 120.5° | 120.0° |
| CAK | CAJ | H10 | 120.2° | 120.0° |
| CAJ | CAF | CAE | 122.0° | 120.0° |
| CAF | CAJ | H10 | 120.2° | 120.0° |
| CAF | CAE | NAD | 123.0° | 126.8° |
| CAF | CAE | NAC | 126.3° | 126.8° |
| CAE | NAD | NAA | 106.5° | 107.0° |
| NAD | CAE | NAC | 110.6° | 106.4° |
| CAE | NAD | H11 | 126.7° | 126.5° |
| NAD | NAA | NAB | 108.8° | 109.0° |
| NAA | NAD | H11 | 126.8° | 126.4° |
| CAE | NAC | NAB | 102.8° | 107.8° |
| NAA | NAB | NAC | 111.3° | 109.7° |
| H5 | CAI | H6 | 109.5° | 109.5° |
| H5 | CAI | H7 | 109.5° | 109.5° |
| H6 | CAI | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAP | CAO | CAS | OAT | 0.6° | 0.0° |
| OAP | CAO | CAS | CAN | 179.4° | 179.9° |
| OAP | CAO | CAS | CAR | 180.0° | 180.0° |
| OAP | CAO | CAN | CAM | 178.7° | 179.7° |
| OAP | CAO | CAN | H3 | 1.4° | 0.1° |
| OAT | CAS | CAO | CAR | 179.4° | 180.0° |
| OAT | CAS | CAO | CAN | 180.0° | 180.0° |
| OAT | CAS | CAR | CAU | 3.1° | 0.0° |
| OAT | CAS | CAR | NAQ | 179.9° | 179.8° |
| CAS | CAO | CAN | CAM | 0.8° | 0.3° |
| CAO | CAS | CAR | CAU | 176.3° | 180.0° |
| CAO | CAS | CAR | NAQ | 0.7° | 0.2° |
| CAO | CAS | OAT | H2 | 0.2° | 0.0° |
| CAS | CAO | CAN | H3 | 179.2° | 180.0° |
| CAN | CAO | CAS | CAR | 0.6° | 0.1° |
| CAO | CAN | CAM | H3 | 180.0° | 179.7° |
| CAO | CAN | CAM | NAQ | 2.0° | 0.4° |
| CAO | CAN | CAM | CAL | 179.6° | 180.0° |
| CAS | CAR | CAU | OAV | 3.5° | 179.8° |
| CAS | CAR | CAU | NAQ | 177.2° | 179.8° |
| CAS | CAR | NAQ | CAM | 0.5° | 0.2° |
| CAS | CAR | CAU | OAW | 165.9° | 0.5° |
| CAR | CAS | OAT | H2 | 179.6° | 180.0° |
| CAS | CAR | NAQ | H12 | 179.5° | 179.7° |
| CAN | CAM | NAQ | CAR | 1.9° | 0.1° |
| CAN | CAM | NAQ | CAL | 178.3° | 179.7° |
| CAN | CAM | CAL | CAH | 63.1° | 123.3° |
| CAN | CAM | CAL | CAK | 114.5° | 57.0° |
| CAN | CAM | NAQ | H12 | 178.2° | 180.0° |
| OAV | CAU | CAR | OAW | 169.4° | 179.7° |
| OAV | CAU | CAR | NAQ | 179.4° | 0.1° |
| OAV | CAU | OAW | H1 | 0.0° | 0.0° |
| CAU | CAR | NAQ | CAM | 177.9° | 180.0° |
| CAR | CAU | OAW | H1 | 170.0° | 179.7° |
| CAU | CAR | NAQ | H12 | 2.1° | 0.1° |
| CAR | NAQ | CAM | H12 | 180.0° | 179.9° |
| CAR | NAQ | CAM | CAL | 179.8° | 179.8° |
| NAQ | CAR | CAU | OAW | 11.2° | 179.7° |
| CAI | CAH | CAL | CAM | 1.6° | 0.0° |
| CAI | CAH | CAL | CAG | 178.7° | 180.0° |
| CAI | CAH | CAL | CAK | 179.1° | 179.7° |
| CAI | CAH | CAG | CAF | 179.8° | 180.0° |
| CAH | CAI | H5 | H6 | 120.0° | 119.9° |
| CAH | CAI | H5 | H7 | 120.0° | 120.0° |
| CAH | CAI | H6 | H7 | 120.0° | 120.0° |
| CAI | CAH | CAG | H8 | 0.2° | 0.0° |
| NAQ | CAM | CAL | CAH | 118.5° | 56.4° |
| NAQ | CAM | CAL | CAK | 63.9° | 123.4° |
| NAQ | CAM | CAN | H3 | 177.9° | 180.0° |
| CAM | CAL | CAH | CAK | 177.5° | 179.7° |
| CAM | CAL | CAH | CAG | 177.1° | 180.0° |
| CAM | CAL | CAK | CAJ | 178.1° | 180.0° |
| CAL | CAM | CAN | H3 | 0.5° | 0.3° |
| CAM | CAL | CAK | H9 | 1.9° | 0.0° |
| CAL | CAM | NAQ | H12 | 0.2° | 0.4° |
| CAL | CAH | CAG | CAF | 1.4° | 0.0° |
| CAH | CAL | CAK | CAJ | 0.5° | 0.3° |
| CAL | CAH | CAI | H5 | 90.7° | 94.5° |
| CAL | CAH | CAI | H6 | 149.3° | 145.5° |
| CAL | CAH | CAI | H7 | 29.3° | 25.5° |
| CAL | CAH | CAG | H8 | 178.6° | 180.0° |
| CAH | CAL | CAK | H9 | 179.5° | 179.7° |
| CAG | CAH | CAL | CAK | 0.4° | 0.3° |
| CAH | CAG | CAF | H8 | 180.0° | 180.0° |
| CAH | CAG | CAF | CAJ | 1.5° | 0.3° |
| CAH | CAG | CAF | CAE | 179.0° | 180.0° |
| CAG | CAH | CAI | H5 | 90.5° | 85.4° |
| CAG | CAH | CAI | H6 | 29.5° | 34.5° |
| CAG | CAH | CAI | H7 | 149.5° | 154.5° |
| CAL | CAK | CAJ | H9 | 180.0° | 180.0° |
| CAL | CAK | CAJ | CAF | 0.3° | 0.0° |
| CAL | CAK | CAJ | H10 | 179.6° | 179.9° |
| CAG | CAF | CAJ | CAK | 0.7° | 0.3° |
| CAG | CAF | CAJ | CAE | 177.3° | 179.7° |
| CAG | CAF | CAE | NAD | 19.9° | 179.7° |
| CAG | CAF | CAE | NAC | 164.1° | 0.0° |
| CAG | CAF | CAJ | H10 | 179.4° | 179.8° |
| CAK | CAJ | CAF | H10 | 180.0° | 179.9° |
| CAK | CAJ | CAF | CAE | 178.0° | 180.0° |
| CAJ | CAF | CAE | NAD | 157.6° | 0.6° |
| CAJ | CAF | CAE | NAC | 18.4° | 179.7° |
| CAJ | CAF | CAG | H8 | 178.5° | 179.7° |
| CAF | CAJ | CAK | H9 | 179.7° | 180.0° |
| CAF | CAE | NAD | NAC | 176.6° | 179.8° |
| CAF | CAE | NAD | NAA | 177.1° | 180.0° |
| CAF | CAE | NAC | NAB | 177.2° | 179.8° |
| CAE | CAF | CAG | H8 | 1.0° | 0.0° |
| CAE | CAF | CAJ | H10 | 2.0° | 0.0° |
| CAF | CAE | NAD | H11 | 2.9° | 0.0° |
| CAE | NAD | NAA | H11 | 180.0° | 179.9° |
| CAE | NAD | NAA | NAB | 0.0° | 0.0° |
| NAD | CAE | NAC | NAB | 0.8° | 0.4° |
| NAA | NAD | CAE | NAC | 0.5° | 0.2° |
| NAD | NAA | NAB | NAC | 0.5° | 0.3° |
| CAE | NAC | NAB | NAA | 0.7° | 0.5° |
| NAC | CAE | NAD | H11 | 179.5° | 179.8° |
| NAB | NAA | NAD | H11 | 179.9° | 179.9° |
| H5 | CAI | H6 | H7 | 120.0° | 120.1° |
| H9 | CAK | CAJ | H10 | 0.4° | 0.1° |
