WLH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CAB | sing | 1.53Å | 1.41Å | |
| CAC | NAD | sing | 1.47Å | 1.49Å | |
| CAB | NAR | sing | 1.47Å | 1.48Å | |
| NAR | CAA | sing | 1.47Å | 1.49Å | |
| NAR | CAF | sing | 1.47Å | 1.47Å | |
| CAF | CAE | sing | 1.53Å | 1.50Å | |
| CAE | NAD | sing | 1.47Å | 1.45Å | |
| NAD | CAG | sing | 1.37Å | 1.35Å | |
| CAG | NAH | doub | 1.32Å | 1.34Å | |
| CAG | NAM | sing | 1.36Å | 1.42Å | |
| NAH | CAI | sing | 1.34Å | 1.37Å | |
| CAI | CAQ | sing | 1.51Å | 1.42Å | |
| CAI | CAJ | doub | 1.36Å | 1.38Å | |
| CAQ | CAP | sing | 1.53Å | 1.49Å | |
| CAP | CAO | sing | 1.53Å | 1.53Å | |
| CAO | CAN | sing | 1.53Å | 1.50Å | |
| CAN | CAJ | sing | 1.50Å | 1.46Å | |
| CAJ | CAK | sing | 1.41Å | 1.42Å | |
| CAK | OAL | doub | 1.22Å | 1.24Å | |
| CAK | NAM | sing | 1.35Å | 1.39Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | 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 | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | sing | 1.09Å | 1.10Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| NAM | HAM | sing | 0.97Å | 1.00Å | |
| CAQ | HAQ1 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ2 | sing | 1.09Å | 1.10Å | |
| CAP | HAP1 | sing | 1.09Å | 1.10Å | |
| CAP | HAP2 | sing | 1.09Å | 1.10Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAC | NAD | 111.4° | 108.5° |
| CAC | CAB | NAR | 110.4° | 109.4° |
| CAB | CAC | HAC1 | 109.0° | 109.7° |
| CAB | CAC | HAC2 | 109.0° | 109.7° |
| CAC | CAB | HAB1 | 109.2° | 109.4° |
| CAC | CAB | HAB2 | 109.2° | 109.5° |
| CAC | NAD | CAE | 111.9° | 118.2° |
| CAC | NAD | CAG | 120.1° | 120.9° |
| NAD | CAC | HAC1 | 109.0° | 109.6° |
| NAD | CAC | HAC2 | 109.0° | 109.6° |
| CAB | NAR | CAA | 107.1° | 111.0° |
| CAB | NAR | CAF | 107.0° | 111.3° |
| NAR | CAB | HAB1 | 109.3° | 109.5° |
| NAR | CAB | HAB2 | 109.2° | 109.5° |
| CAA | NAR | CAF | 100.2° | 111.0° |
| NAR | CAA | HAA1 | 109.5° | 109.4° |
| NAR | CAA | HAA2 | 109.4° | 109.5° |
| NAR | CAA | HAA3 | 109.5° | 109.5° |
| NAR | CAF | CAE | 109.0° | 109.4° |
| NAR | CAF | HAF1 | 109.6° | 109.5° |
| NAR | CAF | HAF2 | 109.6° | 109.5° |
| CAF | CAE | NAD | 109.5° | 108.5° |
| CAE | CAF | HAF1 | 109.6° | 109.5° |
| CAE | CAF | HAF2 | 109.6° | 109.5° |
| CAF | CAE | HAE1 | 109.5° | 109.6° |
| CAF | CAE | HAE2 | 109.5° | 109.6° |
| CAE | NAD | CAG | 125.0° | 120.9° |
| NAD | CAE | HAE1 | 109.5° | 109.7° |
| NAD | CAE | HAE2 | 109.5° | 109.6° |
| NAD | CAG | NAH | 120.7° | 119.5° |
| NAD | CAG | NAM | 120.0° | 119.5° |
| NAH | CAG | NAM | 119.2° | 120.9° |
| CAG | NAH | CAI | 122.4° | 122.0° |
| CAG | NAM | CAK | 119.1° | 119.5° |
| CAG | NAM | HAM | 120.4° | 120.3° |
| NAH | CAI | CAQ | 114.8° | 117.8° |
| NAH | CAI | CAJ | 121.1° | 119.6° |
| CAQ | CAI | CAJ | 124.1° | 122.6° |
| CAI | CAQ | CAP | 110.3° | 110.6° |
| CAI | CAQ | HAQ1 | 109.2° | 109.3° |
| CAI | CAQ | HAQ2 | 109.2° | 109.2° |
| CAI | CAJ | CAN | 121.3° | 123.0° |
| CAI | CAJ | CAK | 117.7° | 118.9° |
| CAQ | CAP | CAO | 104.9° | 108.4° |
| CAP | CAQ | HAQ1 | 109.3° | 109.2° |
| CAP | CAQ | HAQ2 | 109.3° | 109.2° |
| CAQ | CAP | HAP1 | 110.6° | 109.7° |
| CAQ | CAP | HAP2 | 110.6° | 109.7° |
| CAP | CAO | CAN | 108.1° | 108.3° |
| CAO | CAP | HAP1 | 110.6° | 109.7° |
| CAO | CAP | HAP2 | 110.6° | 109.7° |
| CAP | CAO | HAO1 | 109.8° | 109.7° |
| CAP | CAO | HAO2 | 109.8° | 109.7° |
| CAO | CAN | CAJ | 109.5° | 110.6° |
| CAN | CAO | HAO1 | 109.8° | 109.6° |
| CAN | CAO | HAO2 | 109.8° | 109.7° |
| CAO | CAN | HAN1 | 109.5° | 109.3° |
| CAO | CAN | HAN2 | 109.5° | 109.3° |
| CAN | CAJ | CAK | 121.0° | 118.1° |
| CAJ | CAN | HAN1 | 109.5° | 109.2° |
| CAJ | CAN | HAN2 | 109.5° | 109.2° |
| CAJ | CAK | OAL | 125.2° | 120.4° |
| CAJ | CAK | NAM | 120.3° | 119.1° |
| OAL | CAK | NAM | 114.5° | 120.5° |
| CAK | NAM | HAM | 120.5° | 120.2° |
| HAC1 | CAC | HAC2 | 109.5° | 109.8° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAF1 | CAF | HAF2 | 109.5° | 109.5° |
| HAE1 | CAE | HAE2 | 109.4° | 109.8° |
| HAQ1 | CAQ | HAQ2 | 109.5° | 109.2° |
| HAP1 | CAP | HAP2 | 109.4° | 109.7° |
| HAO1 | CAO | HAO2 | 109.4° | 109.8° |
| HAN1 | CAN | HAN2 | 109.4° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAC | NAD | HAC1 | 120.3° | 119.7° |
| CAB | CAC | NAD | HAC2 | 120.3° | 119.7° |
| CAC | CAB | NAR | HAB1 | 120.2° | 119.9° |
| CAC | CAB | NAR | HAB2 | 120.1° | 120.0° |
| CAC | CAB | NAR | CAA | 170.3° | 172.7° |
| CAC | CAB | NAR | CAF | 63.6° | 63.1° |
| CAB | CAC | NAD | CAE | 54.2° | 51.2° |
| CAB | CAC | NAD | CAG | 144.5° | 128.9° |
| CAB | CAC | HAC1 | HAC2 | 119.1° | 120.6° |
| CAC | CAB | HAB1 | HAB2 | 119.6° | 120.0° |
| NAD | CAC | CAB | NAR | 58.6° | 53.8° |
| CAC | NAD | CAE | CAF | 53.5° | 51.2° |
| CAC | NAD | CAE | CAG | 160.1° | 179.9° |
| CAC | NAD | CAG | NAH | 158.0° | 5.6° |
| CAC | NAD | CAG | NAM | 17.7° | 174.2° |
| NAD | CAC | HAC1 | HAC2 | 119.1° | 120.4° |
| NAD | CAC | CAB | HAB1 | 178.8° | 173.8° |
| NAD | CAC | CAB | HAB2 | 61.5° | 66.2° |
| CAC | NAD | CAE | HAE1 | 66.5° | 68.5° |
| CAC | NAD | CAE | HAE2 | 173.6° | 170.9° |
| CAB | NAR | CAA | CAF | 111.5° | 124.3° |
| CAB | NAR | CAF | CAE | 63.1° | 63.1° |
| NAR | CAB | CAC | HAC1 | 178.9° | 173.5° |
| NAR | CAB | CAC | HAC2 | 61.7° | 65.8° |
| NAR | CAB | HAB1 | HAB2 | 119.6° | 120.1° |
| CAB | NAR | CAA | HAA1 | 180.0° | 60.0° |
| CAB | NAR | CAA | HAA2 | 60.0° | 180.0° |
| CAB | NAR | CAA | HAA3 | 60.0° | 60.0° |
| CAB | NAR | CAF | HAF1 | 177.0° | 176.9° |
| CAB | NAR | CAF | HAF2 | 56.8° | 56.9° |
| CAA | NAR | CAF | CAE | 174.6° | 172.7° |
| CAA | NAR | CAB | HAB1 | 69.5° | 52.8° |
| CAA | NAR | CAB | HAB2 | 50.2° | 67.3° |
| NAR | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| NAR | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| NAR | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | NAR | CAF | HAF1 | 65.5° | 52.7° |
| CAA | NAR | CAF | HAF2 | 54.7° | 67.3° |
| NAR | CAF | CAE | HAF1 | 119.9° | 120.0° |
| NAR | CAF | CAE | HAF2 | 119.9° | 119.9° |
| NAR | CAF | CAE | NAD | 59.5° | 53.8° |
| CAF | NAR | CAB | HAB1 | 176.2° | 177.0° |
| CAF | NAR | CAB | HAB2 | 56.5° | 56.9° |
| CAF | NAR | CAA | HAA1 | 68.6° | 64.3° |
| CAF | NAR | CAA | HAA2 | 171.5° | 55.7° |
| CAF | NAR | CAA | HAA3 | 51.5° | 175.7° |
| NAR | CAF | HAF1 | HAF2 | 120.2° | 120.0° |
| NAR | CAF | CAE | HAE1 | 60.6° | 65.9° |
| NAR | CAF | CAE | HAE2 | 179.5° | 173.5° |
| CAF | CAE | NAD | HAE1 | 120.0° | 119.7° |
| CAF | CAE | NAD | HAE2 | 120.0° | 119.6° |
| CAF | CAE | NAD | CAG | 146.3° | 128.9° |
| CAE | CAF | HAF1 | HAF2 | 120.2° | 120.1° |
| CAF | CAE | HAE1 | HAE2 | 120.0° | 120.4° |
| CAE | NAD | CAG | NAH | 0.7° | 174.5° |
| CAE | NAD | CAG | NAM | 176.3° | 5.7° |
| CAE | NAD | CAC | HAC1 | 174.5° | 170.9° |
| CAE | NAD | CAC | HAC2 | 66.1° | 68.5° |
| NAD | CAE | CAF | HAF1 | 179.4° | 173.8° |
| NAD | CAE | CAF | HAF2 | 60.5° | 66.1° |
| NAD | CAE | HAE1 | HAE2 | 120.0° | 120.5° |
| NAD | CAG | NAH | NAM | 175.7° | 179.8° |
| NAD | CAG | NAH | CAI | 179.8° | 179.8° |
| NAD | CAG | NAM | CAK | 179.0° | 179.8° |
| CAG | NAD | CAC | HAC1 | 24.3° | 9.2° |
| CAG | NAD | CAC | HAC2 | 95.1° | 111.4° |
| CAG | NAD | CAE | HAE1 | 93.6° | 111.4° |
| CAG | NAD | CAE | HAE2 | 26.3° | 9.2° |
| NAD | CAG | NAM | HAM | 1.0° | 0.2° |
| CAG | NAH | CAI | CAQ | 177.6° | 179.7° |
| CAG | NAH | CAI | CAJ | 4.5° | 0.1° |
| NAH | CAG | NAM | CAK | 3.3° | 0.4° |
| NAH | CAG | NAM | HAM | 176.7° | 180.0° |
| NAM | CAG | NAH | CAI | 4.5° | 0.0° |
| CAG | NAM | CAK | CAJ | 2.0° | 0.7° |
| CAG | NAM | CAK | OAL | 178.5° | 179.6° |
| CAG | NAM | CAK | HAM | 180.0° | 179.7° |
| NAH | CAI | CAQ | CAJ | 177.8° | 179.7° |
| NAH | CAI | CAQ | CAP | 161.5° | 162.4° |
| NAH | CAI | CAJ | CAN | 177.8° | 179.4° |
| NAH | CAI | CAJ | CAK | 3.0° | 0.4° |
| NAH | CAI | CAQ | HAQ1 | 78.3° | 77.3° |
| NAH | CAI | CAQ | HAQ2 | 41.4° | 42.1° |
| CAI | CAQ | CAP | HAQ1 | 120.1° | 120.3° |
| CAI | CAQ | CAP | HAQ2 | 120.1° | 120.3° |
| CAI | CAQ | CAP | CAO | 54.7° | 51.0° |
| CAQ | CAI | CAJ | CAN | 0.2° | 0.9° |
| CAQ | CAI | CAJ | CAK | 179.3° | 179.3° |
| CAI | CAQ | HAQ1 | HAQ2 | 119.6° | 119.4° |
| CAI | CAQ | CAP | HAP1 | 174.0° | 170.7° |
| CAI | CAQ | CAP | HAP2 | 64.6° | 68.8° |
| CAJ | CAI | CAQ | CAP | 20.7° | 17.9° |
| CAI | CAJ | CAN | CAO | 16.7° | 17.7° |
| CAI | CAJ | CAN | CAK | 179.1° | 179.9° |
| CAI | CAJ | CAK | OAL | 178.7° | 179.6° |
| CAI | CAJ | CAK | NAM | 1.9° | 0.7° |
| CAJ | CAI | CAQ | HAQ1 | 99.5° | 102.4° |
| CAJ | CAI | CAQ | HAQ2 | 140.8° | 138.2° |
| CAI | CAJ | CAN | HAN1 | 136.7° | 137.9° |
| CAI | CAJ | CAN | HAN2 | 103.4° | 102.6° |
| CAQ | CAP | CAO | HAP1 | 119.3° | 119.7° |
| CAQ | CAP | CAO | HAP2 | 119.3° | 119.7° |
| CAQ | CAP | CAO | CAN | 73.5° | 69.3° |
| CAP | CAQ | HAQ1 | HAQ2 | 119.6° | 119.4° |
| CAQ | CAP | HAP1 | HAP2 | 122.1° | 120.5° |
| CAQ | CAP | CAO | HAO1 | 46.3° | 50.4° |
| CAQ | CAP | CAO | HAO2 | 166.7° | 171.1° |
| CAP | CAO | CAN | HAO1 | 119.8° | 119.7° |
| CAP | CAO | CAN | HAO2 | 119.8° | 119.7° |
| CAP | CAO | CAN | CAJ | 52.6° | 50.6° |
| CAO | CAP | CAQ | HAQ1 | 65.4° | 69.4° |
| CAO | CAP | CAQ | HAQ2 | 174.8° | 171.2° |
| CAO | CAP | HAP1 | HAP2 | 122.1° | 120.5° |
| CAP | CAO | HAO1 | HAO2 | 120.6° | 120.6° |
| CAP | CAO | CAN | HAN1 | 172.6° | 170.9° |
| CAP | CAO | CAN | HAN2 | 67.4° | 69.6° |
| CAO | CAN | CAJ | HAN1 | 120.0° | 120.3° |
| CAO | CAN | CAJ | HAN2 | 120.0° | 120.3° |
| CAO | CAN | CAJ | CAK | 164.2° | 162.5° |
| CAN | CAO | CAP | HAP1 | 167.2° | 171.0° |
| CAN | CAO | CAP | HAP2 | 45.8° | 50.5° |
| CAN | CAO | HAO1 | HAO2 | 120.6° | 120.5° |
| CAO | CAN | HAN1 | HAN2 | 120.0° | 119.5° |
| CAN | CAJ | CAK | OAL | 0.4° | 0.5° |
| CAN | CAJ | CAK | NAM | 179.0° | 179.1° |
| CAJ | CAN | CAO | HAO1 | 67.2° | 69.0° |
| CAJ | CAN | CAO | HAO2 | 172.4° | 170.4° |
| CAJ | CAN | HAN1 | HAN2 | 120.0° | 119.4° |
| CAJ | CAK | OAL | NAM | 179.4° | 179.7° |
| CAJ | CAK | NAM | HAM | 178.0° | 179.6° |
| CAK | CAJ | CAN | HAN1 | 44.2° | 42.2° |
| CAK | CAJ | CAN | HAN2 | 75.7° | 77.2° |
| OAL | CAK | NAM | HAM | 1.5° | 0.1° |
| HAC1 | CAC | CAB | HAB1 | 60.9° | 66.6° |
| HAC1 | CAC | CAB | HAB2 | 58.8° | 53.5° |
| HAC2 | CAC | CAB | HAB1 | 58.5° | 54.1° |
| HAC2 | CAC | CAB | HAB2 | 178.2° | 174.2° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAF1 | CAF | CAE | HAE1 | 59.4° | 54.0° |
| HAF1 | CAF | CAE | HAE2 | 60.6° | 66.5° |
| HAF2 | CAF | CAE | HAE1 | 179.5° | 174.1° |
| HAF2 | CAF | CAE | HAE2 | 59.5° | 53.6° |
| HAQ1 | CAQ | CAP | HAP1 | 53.9° | 50.3° |
| HAQ1 | CAQ | CAP | HAP2 | 175.3° | 170.9° |
| HAQ2 | CAQ | CAP | HAP1 | 65.9° | 69.0° |
| HAQ2 | CAQ | CAP | HAP2 | 55.5° | 51.5° |
| HAP1 | CAP | CAO | HAO1 | 73.0° | 69.3° |
| HAP1 | CAP | CAO | HAO2 | 47.4° | 51.3° |
| HAP2 | CAP | CAO | HAO1 | 165.6° | 170.1° |
| HAP2 | CAP | CAO | HAO2 | 74.0° | 69.2° |
| HAO1 | CAO | CAN | HAN1 | 52.8° | 51.2° |
| HAO1 | CAO | CAN | HAN2 | 172.8° | 170.7° |
| HAO2 | CAO | CAN | HAN1 | 67.6° | 69.4° |
| HAO2 | CAO | CAN | HAN2 | 52.4° | 50.1° |
