WMJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAX | doub | 1.22Å | 1.24Å | |
| CAX | NAQ | sing | 1.35Å | 1.39Å | |
| CAX | NBC | sing | 1.35Å | 1.39Å | |
| NAQ | CAW | sing | 1.35Å | 1.40Å | |
| CAW | OAC | doub | 1.22Å | 1.23Å | |
| CAW | CAT | sing | 1.41Å | 1.40Å | |
| CAT | CAA | sing | 1.51Å | 1.52Å | |
| CAT | CAL | doub | 1.35Å | 1.40Å | |
| CAL | NBC | sing | 1.37Å | 1.41Å | |
| NBC | CBA | sing | 1.46Å | 1.50Å | |
| CBA | OAR | sing | 1.43Å | 1.46Å | |
| CBA | CAN | sing | 1.54Å | 1.51Å | |
| OAR | CAZ | sing | 1.44Å | 1.44Å | |
| CAN | CAY | sing | 1.55Å | 1.50Å | |
| CAY | OAE | sing | 1.43Å | 1.43Å | |
| CAY | CAZ | sing | 1.55Å | 1.52Å | |
| CAZ | CAM | sing | 1.53Å | 1.55Å | |
| CAM | NAO | sing | 1.47Å | 1.48Å | |
| NAO | CAS | sing | 1.35Å | 1.34Å | |
| CAS | OAB | doub | 1.22Å | 1.21Å | |
| CAS | NAP | sing | 1.35Å | 1.32Å | |
| NAP | CAU | sing | 1.40Å | 1.31Å | |
| CAU | CAI | sing | 1.39Å | 1.38Å | Aromatic |
| CAU | CAH | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.38Å | Aromatic |
| CAK | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAV | doub | 1.38Å | 1.41Å | Aromatic |
| CAV | NBB | sing | 1.48Å | 1.33Å | |
| NBB | OAG | sing | 1.22Å | 1.35Å | |
| NBB | OAF | doub | 1.22Å | 1.36Å | |
| NAQ | HAQ | sing | 0.97Å | 1.00Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CBA | HBA | sing | 1.09Å | 1.10Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAZ | HAZ | sing | 1.09Å | 1.10Å | |
| CAY | HAY | sing | 1.09Å | 1.10Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| NAO | HAO | sing | 0.97Å | 1.00Å | |
| NAP | HAP | sing | 0.97Å | 1.00Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAX | NAQ | 119.6° | 119.6° |
| OAD | CAX | NBC | 121.3° | 119.5° |
| NAQ | CAX | NBC | 119.1° | 121.0° |
| CAX | NAQ | CAW | 122.0° | 120.2° |
| CAX | NAQ | HAQ | 119.0° | 119.9° |
| CAX | NBC | CAL | 119.5° | 120.6° |
| CAX | NBC | CBA | 119.0° | 119.7° |
| NAQ | CAW | OAC | 119.0° | 120.3° |
| NAQ | CAW | CAT | 119.2° | 119.4° |
| CAW | NAQ | HAQ | 119.0° | 119.9° |
| OAC | CAW | CAT | 121.8° | 120.3° |
| CAW | CAT | CAA | 120.2° | 120.5° |
| CAW | CAT | CAL | 119.2° | 119.1° |
| CAA | CAT | CAL | 120.6° | 120.4° |
| CAT | CAA | HAA1 | 109.5° | 109.5° |
| CAT | CAA | HAA2 | 109.5° | 109.4° |
| CAT | CAA | HAA3 | 109.5° | 109.5° |
| CAT | CAL | NBC | 121.0° | 119.6° |
| CAT | CAL | HAL | 119.5° | 120.2° |
| CAL | NBC | CBA | 121.5° | 119.7° |
| NBC | CAL | HAL | 119.5° | 120.2° |
| NBC | CBA | OAR | 108.0° | 109.8° |
| NBC | CBA | CAN | 114.0° | 109.8° |
| NBC | CBA | HBA | 108.4° | 109.9° |
| OAR | CBA | CAN | 109.3° | 107.5° |
| CBA | OAR | CAZ | 107.4° | 110.0° |
| OAR | CBA | HBA | 108.9° | 109.8° |
| CBA | CAN | CAY | 101.9° | 102.2° |
| CAN | CBA | HBA | 108.2° | 109.9° |
| CBA | CAN | HAN1 | 111.4° | 110.9° |
| CBA | CAN | HAN2 | 111.3° | 110.8° |
| OAR | CAZ | CAY | 105.5° | 105.1° |
| OAR | CAZ | CAM | 107.1° | 110.4° |
| OAR | CAZ | HAZ | 112.3° | 110.3° |
| CAN | CAY | OAE | 109.2° | 111.1° |
| CAN | CAY | CAZ | 104.0° | 101.0° |
| CAY | CAN | HAN1 | 111.3° | 110.9° |
| CAY | CAN | HAN2 | 111.4° | 110.8° |
| CAN | CAY | HAY | 110.9° | 111.2° |
| OAE | CAY | CAZ | 109.9° | 111.1° |
| OAE | CAY | HAY | 112.0° | 110.9° |
| CAY | OAE | HAE | 109.5° | 114.0° |
| CAY | CAZ | CAM | 110.3° | 110.3° |
| CAY | CAZ | HAZ | 110.9° | 110.3° |
| CAZ | CAY | HAY | 110.5° | 111.2° |
| CAZ | CAM | NAO | 109.3° | 109.5° |
| CAM | CAZ | HAZ | 110.6° | 110.4° |
| CAZ | CAM | HAM1 | 109.5° | 109.5° |
| CAZ | CAM | HAM2 | 109.5° | 109.5° |
| CAM | NAO | CAS | 124.7° | 120.0° |
| NAO | CAM | HAM1 | 109.5° | 109.5° |
| NAO | CAM | HAM2 | 109.5° | 109.4° |
| CAM | NAO | HAO | 117.6° | 119.9° |
| NAO | CAS | OAB | 123.8° | 120.0° |
| NAO | CAS | NAP | 114.7° | 120.1° |
| CAS | NAO | HAO | 117.6° | 120.0° |
| OAB | CAS | NAP | 121.4° | 120.0° |
| CAS | NAP | CAU | 124.0° | 120.0° |
| CAS | NAP | HAP | 118.0° | 120.0° |
| NAP | CAU | CAI | 116.3° | 120.1° |
| NAP | CAU | CAH | 122.4° | 120.0° |
| CAU | NAP | HAP | 118.0° | 120.0° |
| CAI | CAU | CAH | 121.2° | 119.9° |
| CAU | CAI | CAK | 119.9° | 119.9° |
| CAU | CAI | HAI | 120.0° | 120.0° |
| CAU | CAH | CAJ | 118.9° | 119.9° |
| CAU | CAH | HAH | 120.5° | 120.0° |
| CAI | CAK | CAV | 120.3° | 120.1° |
| CAK | CAI | HAI | 120.0° | 120.1° |
| CAI | CAK | HAK | 119.8° | 120.0° |
| CAK | CAV | CAJ | 120.0° | 120.1° |
| CAK | CAV | NBB | 116.8° | 119.9° |
| CAV | CAK | HAK | 119.9° | 119.9° |
| CAH | CAJ | CAV | 119.6° | 120.1° |
| CAJ | CAH | HAH | 120.6° | 120.1° |
| CAH | CAJ | HAJ | 120.2° | 120.0° |
| CAJ | CAV | NBB | 123.1° | 119.9° |
| CAV | CAJ | HAJ | 120.2° | 120.0° |
| CAV | NBB | OAG | 122.4° | 120.0° |
| CAV | NBB | OAF | 117.5° | 120.0° |
| OAG | NBB | OAF | 120.0° | 120.0° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.4° | 109.5° |
| HAN1 | CAN | HAN2 | 109.5° | 110.9° |
| HAM1 | CAM | HAM2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAX | NAQ | NBC | 178.7° | 179.6° |
| OAD | CAX | NAQ | CAW | 178.6° | 180.0° |
| OAD | CAX | NBC | CAL | 178.2° | 179.8° |
| OAD | CAX | NBC | CBA | 3.4° | 0.1° |
| OAD | CAX | NAQ | HAQ | 1.4° | 0.1° |
| CAX | NAQ | CAW | HAQ | 180.0° | 179.9° |
| CAX | NAQ | CAW | OAC | 179.3° | 180.0° |
| CAX | NAQ | CAW | CAT | 0.3° | 0.1° |
| NAQ | CAX | NBC | CAL | 0.5° | 0.5° |
| NAQ | CAX | NBC | CBA | 177.9° | 179.7° |
| NBC | CAX | NAQ | CAW | 0.1° | 0.4° |
| CAX | NBC | CAL | CAT | 0.5° | 0.5° |
| CAX | NBC | CAL | CBA | 178.4° | 179.7° |
| CAX | NBC | CBA | OAR | 158.9° | 178.5° |
| CAX | NBC | CBA | CAN | 79.4° | 60.5° |
| NBC | CAX | NAQ | HAQ | 179.8° | 179.8° |
| CAX | NBC | CAL | HAL | 179.4° | 179.7° |
| CAX | NBC | CBA | HBA | 41.1° | 60.5° |
| NAQ | CAW | OAC | CAT | 179.6° | 179.9° |
| NAQ | CAW | CAT | CAA | 179.4° | 180.0° |
| NAQ | CAW | CAT | CAL | 0.3° | 0.1° |
| OAC | CAW | CAT | CAA | 1.0° | 0.1° |
| OAC | CAW | CAT | CAL | 179.3° | 180.0° |
| OAC | CAW | NAQ | HAQ | 0.7° | 0.1° |
| CAW | CAT | CAA | CAL | 179.7° | 180.0° |
| CAW | CAT | CAL | NBC | 0.1° | 0.2° |
| CAT | CAW | NAQ | HAQ | 179.7° | 180.0° |
| CAW | CAT | CAA | HAA1 | 180.0° | 0.1° |
| CAW | CAT | CAA | HAA2 | 60.0° | 120.0° |
| CAW | CAT | CAA | HAA3 | 60.0° | 120.0° |
| CAW | CAT | CAL | HAL | 179.9° | 180.0° |
| CAA | CAT | CAL | NBC | 179.9° | 179.8° |
| CAT | CAA | HAA1 | HAA2 | 120.0° | 119.9° |
| CAT | CAA | HAA1 | HAA3 | 120.0° | 120.1° |
| CAT | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | CAT | CAL | HAL | 0.1° | 0.0° |
| CAT | CAL | NBC | HAL | 180.0° | 179.8° |
| CAT | CAL | NBC | CBA | 177.8° | 179.8° |
| CAL | CAT | CAA | HAA1 | 0.3° | 180.0° |
| CAL | CAT | CAA | HAA2 | 120.3° | 60.0° |
| CAL | CAT | CAA | HAA3 | 119.8° | 60.0° |
| CAL | NBC | CBA | OAR | 19.4° | 1.7° |
| CAL | NBC | CBA | CAN | 102.2° | 119.8° |
| CAL | NBC | CBA | HBA | 137.3° | 119.2° |
| NBC | CBA | OAR | CAN | 124.5° | 119.5° |
| NBC | CBA | OAR | HBA | 117.5° | 120.9° |
| NBC | CBA | CAN | HBA | 120.7° | 121.0° |
| NBC | CBA | OAR | CAZ | 124.0° | 117.8° |
| NBC | CBA | CAN | CAY | 99.8° | 140.9° |
| CBA | NBC | CAL | HAL | 2.2° | 0.0° |
| NBC | CBA | CAN | HAN1 | 19.0° | 22.7° |
| NBC | CBA | CAN | HAN2 | 141.4° | 101.0° |
| OAR | CBA | CAN | HBA | 118.4° | 119.5° |
| OAR | CBA | CAN | CAY | 21.1° | 21.4° |
| CBA | OAR | CAZ | CAY | 20.4° | 24.4° |
| CBA | OAR | CAZ | CAM | 97.2° | 143.3° |
| OAR | CBA | CAN | HAN1 | 139.9° | 96.8° |
| OAR | CBA | CAN | HAN2 | 97.7° | 139.5° |
| CBA | OAR | CAZ | HAZ | 141.3° | 94.5° |
| CAN | CBA | OAR | CAZ | 0.5° | 1.7° |
| CBA | CAN | CAY | HAN1 | 118.8° | 118.2° |
| CBA | CAN | CAY | HAN2 | 118.8° | 118.1° |
| CBA | CAN | CAY | OAE | 84.9° | 152.1° |
| CBA | CAN | CAY | CAZ | 32.4° | 34.2° |
| CBA | CAN | HAN1 | HAN2 | 123.5° | 123.6° |
| CBA | CAN | CAY | HAY | 151.3° | 83.8° |
| OAR | CAZ | CAY | CAN | 33.7° | 36.5° |
| OAR | CAZ | CAY | OAE | 83.1° | 154.4° |
| OAR | CAZ | CAY | CAM | 115.3° | 119.0° |
| OAR | CAZ | CAY | HAZ | 121.8° | 118.9° |
| OAR | CAZ | CAM | HAZ | 122.6° | 122.2° |
| OAR | CAZ | CAM | NAO | 171.1° | 66.4° |
| CAZ | OAR | CBA | HBA | 118.5° | 121.3° |
| OAR | CAZ | CAY | HAY | 152.8° | 81.5° |
| OAR | CAZ | CAM | HAM1 | 68.9° | 173.5° |
| OAR | CAZ | CAM | HAM2 | 51.1° | 53.5° |
| CAN | CAY | OAE | CAZ | 113.5° | 111.6° |
| CAN | CAY | OAE | HAY | 123.2° | 124.2° |
| CAN | CAY | CAZ | HAY | 119.1° | 118.0° |
| CAN | CAY | CAZ | CAM | 81.6° | 155.4° |
| CAY | CAN | CBA | HBA | 139.5° | 98.1° |
| CAY | CAN | HAN1 | HAN2 | 123.5° | 123.6° |
| CAN | CAY | CAZ | HAZ | 155.5° | 82.4° |
| CAN | CAY | OAE | HAE | 180.0° | 61.4° |
| OAE | CAY | CAZ | HAY | 124.1° | 124.1° |
| OAE | CAY | CAZ | CAM | 161.6° | 86.6° |
| OAE | CAY | CAN | HAN1 | 33.9° | 33.8° |
| OAE | CAY | CAN | HAN2 | 156.4° | 89.8° |
| OAE | CAY | CAZ | HAZ | 38.7° | 35.5° |
| CAY | CAZ | CAM | HAZ | 123.1° | 122.1° |
| CAY | CAZ | CAM | NAO | 74.6° | 177.9° |
| CAZ | CAY | CAN | HAN1 | 151.2° | 84.1° |
| CAZ | CAY | CAN | HAN2 | 86.3° | 152.3° |
| CAZ | CAY | OAE | HAE | 66.5° | 173.0° |
| CAY | CAZ | CAM | HAM1 | 45.4° | 57.8° |
| CAY | CAZ | CAM | HAM2 | 165.4° | 62.2° |
| CAZ | CAM | NAO | HAM1 | 120.0° | 120.1° |
| CAZ | CAM | NAO | HAM2 | 120.0° | 120.0° |
| CAZ | CAM | NAO | CAS | 94.4° | 180.0° |
| CAM | CAZ | CAY | HAY | 37.4° | 37.4° |
| CAZ | CAM | HAM1 | HAM2 | 120.0° | 120.0° |
| CAZ | CAM | NAO | HAO | 85.6° | 0.1° |
| CAM | NAO | CAS | HAO | 180.0° | 179.9° |
| CAM | NAO | CAS | OAB | 2.0° | 0.1° |
| CAM | NAO | CAS | NAP | 178.3° | 179.9° |
| NAO | CAM | CAZ | HAZ | 48.5° | 55.8° |
| NAO | CAM | HAM1 | HAM2 | 120.1° | 119.9° |
| NAO | CAS | OAB | NAP | 179.7° | 180.0° |
| NAO | CAS | NAP | CAU | 175.2° | 174.7° |
| CAS | NAO | CAM | HAM1 | 25.5° | 59.9° |
| CAS | NAO | CAM | HAM2 | 145.6° | 60.0° |
| NAO | CAS | NAP | HAP | 4.8° | 5.4° |
| OAB | CAS | NAP | CAU | 4.5° | 5.2° |
| OAB | CAS | NAO | HAO | 178.0° | 180.0° |
| OAB | CAS | NAP | HAP | 175.4° | 174.6° |
| CAS | NAP | CAU | HAP | 180.0° | 179.9° |
| CAS | NAP | CAU | CAI | 166.6° | 146.8° |
| CAS | NAP | CAU | CAH | 17.9° | 33.5° |
| NAP | CAS | NAO | HAO | 1.7° | 0.0° |
| NAP | CAU | CAI | CAH | 175.5° | 179.6° |
| NAP | CAU | CAI | CAK | 178.7° | 179.9° |
| NAP | CAU | CAH | CAJ | 178.1° | 180.0° |
| NAP | CAU | CAI | HAI | 1.3° | 0.1° |
| NAP | CAU | CAH | HAH | 1.9° | 0.1° |
| CAU | CAI | CAK | HAI | 180.0° | 179.9° |
| CAU | CAI | CAK | CAV | 2.3° | 0.0° |
| CAI | CAU | CAH | CAJ | 2.8° | 0.3° |
| CAI | CAU | NAP | HAP | 13.4° | 33.0° |
| CAI | CAU | CAH | HAH | 177.2° | 179.7° |
| CAU | CAI | CAK | HAK | 177.8° | 179.9° |
| CAH | CAU | CAI | CAK | 3.2° | 0.3° |
| CAU | CAH | CAJ | HAH | 180.0° | 180.0° |
| CAU | CAH | CAJ | CAV | 1.6° | 0.0° |
| CAH | CAU | NAP | HAP | 162.1° | 146.6° |
| CAH | CAU | CAI | HAI | 176.8° | 179.8° |
| CAU | CAH | CAJ | HAJ | 178.4° | 180.0° |
| CAI | CAK | CAV | HAK | 180.0° | 179.9° |
| CAI | CAK | CAV | CAJ | 1.0° | 0.3° |
| CAI | CAK | CAV | NBB | 179.5° | 180.0° |
| CAK | CAV | CAJ | CAH | 0.7° | 0.3° |
| CAK | CAV | CAJ | NBB | 179.4° | 179.7° |
| CAK | CAV | NBB | OAG | 170.1° | 0.0° |
| CAK | CAV | NBB | OAF | 10.8° | 180.0° |
| CAV | CAK | CAI | HAI | 177.8° | 179.9° |
| CAK | CAV | CAJ | HAJ | 179.3° | 179.7° |
| CAH | CAJ | CAV | HAJ | 180.0° | 179.9° |
| CAH | CAJ | CAV | NBB | 179.9° | 180.0° |
| CAJ | CAV | NBB | OAG | 10.4° | 179.7° |
| CAJ | CAV | NBB | OAF | 168.7° | 0.2° |
| CAV | CAJ | CAH | HAH | 178.4° | 180.0° |
| CAJ | CAV | CAK | HAK | 179.0° | 179.8° |
| CAV | NBB | OAG | OAF | 179.1° | 180.0° |
| NBB | CAV | CAK | HAK | 0.5° | 0.1° |
| NBB | CAV | CAJ | HAJ | 0.1° | 0.1° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HBA | CBA | CAN | HAN1 | 101.7° | 143.6° |
| HBA | CBA | CAN | HAN2 | 20.8° | 20.0° |
| HAN1 | CAN | CAY | HAY | 89.9° | 157.9° |
| HAN2 | CAN | CAY | HAY | 32.5° | 34.3° |
| HAZ | CAZ | CAY | HAY | 85.4° | 159.6° |
| HAZ | CAZ | CAM | HAM1 | 168.5° | 64.3° |
| HAZ | CAZ | CAM | HAM2 | 71.5° | 175.7° |
| HAY | CAY | OAE | HAE | 56.8° | 62.8° |
| HAM1 | CAM | NAO | HAO | 154.5° | 120.0° |
| HAM2 | CAM | NAO | HAO | 34.4° | 120.0° |
| HAI | CAI | CAK | HAK | 2.2° | 0.0° |
| HAH | CAH | CAJ | HAJ | 1.6° | 0.0° |
