NWJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAV | OAE | doub | 1.21Å | 1.26Å | |
| CAV | CAX | sing | 1.47Å | 1.50Å | |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAX | CAK | sing | 1.40Å | 1.35Å | Aromatic |
| CAX | CAI | doub | 1.40Å | 1.37Å | Aromatic |
| CAK | CAY | doub | 1.39Å | 1.38Å | Aromatic |
| CAI | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAJ | doub | 1.38Å | 1.44Å | Aromatic |
| CAJ | CAY | sing | 1.40Å | 1.40Å | Aromatic |
| CAY | CBA | sing | 1.48Å | 1.50Å | |
| CBA | NAS | sing | 1.37Å | 1.34Å | Aromatic |
| CBA | CAZ | doub | 1.39Å | 1.37Å | Aromatic |
| NAS | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| CAZ | CAG | sing | 1.43Å | 1.50Å | |
| CAZ | C5 | sing | 1.47Å | 1.43Å | Aromatic |
| CAG | NAA | trip | 1.14Å | 1.14Å | |
| C5 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.39Å | Aromatic |
| C2 | NAB | sing | 1.38Å | 1.42Å | |
| C2 | N1 | doub | 1.33Å | 1.38Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | NBF | sing | 1.38Å | 1.44Å | |
| NBF | CAN | sing | 1.47Å | 1.48Å | |
| NBF | CAO | sing | 1.48Å | 1.49Å | |
| CAN | CAL | sing | 1.54Å | 1.47Å | |
| CAL | CAM | sing | 1.55Å | 1.45Å | |
| CAM | CAO | sing | 1.55Å | 1.48Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| NAS | HAS | sing | 0.97Å | 1.00Å | |
| NAB | HAB1 | sing | 0.97Å | 1.00Å | |
| NAB | HAB2 | sing | 0.97Å | 1.00Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAV | CAX | 118.8° | 120.0° |
| OAE | CAV | HAV | 120.6° | 120.0° |
| CAX | CAV | HAV | 120.6° | 120.0° |
| CAV | CAX | CAK | 120.7° | 120.1° |
| CAV | CAX | CAI | 120.4° | 120.1° |
| CAK | CAX | CAI | 118.8° | 119.8° |
| CAX | CAK | CAY | 121.9° | 119.7° |
| CAX | CAK | HAK | 119.0° | 120.2° |
| CAX | CAI | CAH | 122.4° | 120.2° |
| CAX | CAI | HAI | 118.8° | 119.9° |
| CAK | CAY | CAJ | 121.4° | 119.8° |
| CAK | CAY | CBA | 113.4° | 120.1° |
| CAY | CAK | HAK | 119.0° | 120.1° |
| CAI | CAH | CAJ | 118.4° | 120.3° |
| CAH | CAI | HAI | 118.8° | 119.9° |
| CAI | CAH | HAH | 120.8° | 119.8° |
| CAH | CAJ | CAY | 116.9° | 120.2° |
| CAJ | CAH | HAH | 120.8° | 119.9° |
| CAH | CAJ | HAJ | 121.5° | 119.9° |
| CAJ | CAY | CBA | 125.1° | 120.1° |
| CAY | CAJ | HAJ | 121.5° | 119.9° |
| CAY | CBA | NAS | 125.2° | 125.4° |
| CAY | CBA | CAZ | 124.6° | 125.5° |
| NAS | CBA | CAZ | 110.1° | 109.0° |
| CBA | NAS | C4 | 106.0° | 110.5° |
| CBA | NAS | HAS | 127.0° | 124.8° |
| CBA | CAZ | CAG | 118.5° | 126.9° |
| CBA | CAZ | C5 | 109.5° | 106.2° |
| NAS | C4 | C5 | 113.8° | 108.0° |
| NAS | C4 | N3 | 119.6° | 133.6° |
| C4 | NAS | HAS | 127.0° | 124.7° |
| CAG | CAZ | C5 | 132.0° | 126.9° |
| CAZ | CAG | NAA | 179.4° | 179.9° |
| CAZ | C5 | C4 | 100.5° | 106.4° |
| CAZ | C5 | C6 | 144.6° | 134.7° |
| C4 | C5 | C6 | 114.8° | 119.0° |
| C5 | C4 | N3 | 126.5° | 118.5° |
| C5 | C6 | N1 | 120.4° | 118.5° |
| C5 | C6 | NBF | 124.7° | 120.8° |
| C4 | N3 | C2 | 116.2° | 120.8° |
| N3 | C2 | NAB | 121.4° | 118.8° |
| N3 | C2 | N1 | 119.4° | 122.4° |
| NAB | C2 | N1 | 119.3° | 118.8° |
| C2 | NAB | HAB1 | 109.5° | 120.0° |
| C2 | NAB | HAB2 | 109.5° | 120.0° |
| C2 | N1 | C6 | 122.7° | 120.9° |
| N1 | C6 | NBF | 114.9° | 120.7° |
| C6 | NBF | CAN | 122.2° | 111.0° |
| C6 | NBF | CAO | 124.4° | 111.0° |
| CAN | NBF | CAO | 105.7° | 108.5° |
| NBF | CAN | CAL | 105.5° | 107.3° |
| NBF | CAN | HAN1 | 110.5° | 109.9° |
| NBF | CAN | HAN2 | 110.5° | 109.9° |
| NBF | CAO | CAM | 102.8° | 104.8° |
| NBF | CAO | HAO1 | 111.1° | 110.3° |
| NBF | CAO | HAO2 | 111.1° | 110.4° |
| CAN | CAL | CAM | 102.6° | 103.0° |
| CAL | CAN | HAN1 | 110.5° | 109.9° |
| CAL | CAN | HAN2 | 110.5° | 109.9° |
| CAN | CAL | HAL1 | 111.2° | 110.7° |
| CAN | CAL | HAL2 | 111.2° | 110.7° |
| CAL | CAM | CAO | 102.6° | 101.7° |
| CAM | CAL | HAL1 | 111.2° | 110.7° |
| CAM | CAL | HAL2 | 111.1° | 110.7° |
| CAL | CAM | HAM1 | 111.1° | 111.1° |
| CAL | CAM | HAM2 | 111.2° | 111.0° |
| CAM | CAO | HAO1 | 111.1° | 110.4° |
| CAM | CAO | HAO2 | 111.1° | 110.4° |
| CAO | CAM | HAM1 | 111.2° | 111.0° |
| CAO | CAM | HAM2 | 111.2° | 111.0° |
| HAB1 | NAB | HAB2 | 109.5° | 120.0° |
| HAN1 | CAN | HAN2 | 109.5° | 110.0° |
| HAO1 | CAO | HAO2 | 109.4° | 110.4° |
| HAL1 | CAL | HAL2 | 109.4° | 110.8° |
| HAM1 | CAM | HAM2 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAV | CAX | HAV | 180.0° | 179.8° |
| OAE | CAV | CAX | CAK | 95.8° | 180.0° |
| OAE | CAV | CAX | CAI | 88.3° | 0.2° |
| CAV | CAX | CAK | CAI | 176.0° | 179.8° |
| CAV | CAX | CAK | CAY | 178.4° | 180.0° |
| CAV | CAX | CAI | CAH | 176.8° | 180.0° |
| CAV | CAX | CAK | HAK | 1.6° | 0.0° |
| CAV | CAX | CAI | HAI | 3.2° | 0.1° |
| HAV | CAV | CAX | CAK | 84.2° | 0.2° |
| HAV | CAV | CAX | CAI | 91.7° | 180.0° |
| CAX | CAK | CAY | HAK | 180.0° | 180.0° |
| CAK | CAX | CAI | CAH | 0.8° | 0.2° |
| CAX | CAK | CAY | CAJ | 3.3° | 0.0° |
| CAX | CAK | CAY | CBA | 179.4° | 179.9° |
| CAK | CAX | CAI | HAI | 179.1° | 179.7° |
| CAI | CAX | CAK | CAY | 2.5° | 0.2° |
| CAX | CAI | CAH | HAI | 180.0° | 180.0° |
| CAX | CAI | CAH | CAJ | 0.1° | 0.0° |
| CAI | CAX | CAK | HAK | 177.5° | 179.8° |
| CAX | CAI | CAH | HAH | 180.0° | 180.0° |
| CAK | CAY | CAJ | CAH | 2.2° | 0.3° |
| CAK | CAY | CAJ | CBA | 175.6° | 179.9° |
| CAK | CAY | CBA | NAS | 56.9° | 45.1° |
| CAK | CAY | CBA | CAZ | 117.5° | 135.3° |
| CAK | CAY | CAJ | HAJ | 177.8° | 180.0° |
| CAI | CAH | CAJ | HAH | 180.0° | 180.0° |
| CAI | CAH | CAJ | CAY | 0.6° | 0.3° |
| CAI | CAH | CAJ | HAJ | 179.4° | 180.0° |
| CAH | CAJ | CAY | HAJ | 180.0° | 179.7° |
| CAH | CAJ | CAY | CBA | 177.9° | 179.8° |
| CAJ | CAH | CAI | HAI | 180.0° | 180.0° |
| CAJ | CAY | CBA | NAS | 127.2° | 135.0° |
| CAJ | CAY | CBA | CAZ | 58.5° | 44.6° |
| CAJ | CAY | CAK | HAK | 176.7° | 179.9° |
| CAY | CAJ | CAH | HAH | 179.4° | 179.7° |
| CAY | CBA | NAS | CAZ | 175.1° | 179.7° |
| CAY | CBA | NAS | C4 | 177.5° | 179.9° |
| CAY | CBA | CAZ | CAG | 4.0° | 0.0° |
| CAY | CBA | CAZ | C5 | 176.3° | 180.0° |
| CBA | CAY | CAK | HAK | 0.6° | 0.0° |
| CBA | CAY | CAJ | HAJ | 2.2° | 0.1° |
| CAY | CBA | NAS | HAS | 2.5° | 0.0° |
| CBA | NAS | C4 | HAS | 180.0° | 180.0° |
| NAS | CBA | CAZ | CAG | 179.1° | 179.7° |
| NAS | CBA | CAZ | C5 | 1.2° | 0.2° |
| CBA | NAS | C4 | C5 | 2.9° | 0.1° |
| CBA | NAS | C4 | N3 | 178.1° | 180.0° |
| CAZ | CBA | NAS | C4 | 2.4° | 0.2° |
| CBA | CAZ | CAG | C5 | 179.7° | 180.0° |
| CBA | CAZ | CAG | NAA | 7.5° | 57.7° |
| CBA | CAZ | C5 | C4 | 0.5° | 0.2° |
| CBA | CAZ | C5 | C6 | 177.4° | 179.9° |
| CAZ | CBA | NAS | HAS | 177.5° | 179.7° |
| NAS | C4 | C5 | CAZ | 2.1° | 0.1° |
| NAS | C4 | C5 | N3 | 178.9° | 179.9° |
| NAS | C4 | C5 | C6 | 179.9° | 179.9° |
| NAS | C4 | N3 | C2 | 177.8° | 180.0° |
| CAG | CAZ | C5 | C4 | 179.1° | 179.8° |
| CAG | CAZ | C5 | C6 | 2.3° | 0.0° |
| C5 | CAZ | CAG | NAA | 172.9° | 122.3° |
| CAZ | C5 | C4 | C6 | 178.0° | 179.8° |
| CAZ | C5 | C4 | N3 | 179.0° | 179.9° |
| CAZ | C5 | C6 | N1 | 178.7° | 179.9° |
| CAZ | C5 | C6 | NBF | 3.3° | 0.1° |
| C5 | C4 | N3 | C2 | 1.0° | 0.1° |
| C4 | C5 | C6 | N1 | 2.1° | 0.4° |
| C4 | C5 | C6 | NBF | 179.8° | 179.8° |
| C5 | C4 | NAS | HAS | 177.0° | 179.9° |
| C6 | C5 | C4 | N3 | 1.1° | 0.1° |
| C5 | C6 | N1 | C2 | 1.1° | 0.5° |
| C5 | C6 | N1 | NBF | 178.2° | 179.8° |
| C5 | C6 | NBF | CAN | 156.1° | 180.0° |
| C5 | C6 | NBF | CAO | 11.1° | 59.2° |
| C4 | N3 | C2 | NAB | 176.5° | 179.9° |
| C4 | N3 | C2 | N1 | 2.1° | 0.0° |
| N3 | C4 | NAS | HAS | 1.9° | 0.1° |
| N3 | C2 | NAB | N1 | 178.6° | 179.9° |
| N3 | C2 | N1 | C6 | 1.1° | 0.3° |
| N3 | C2 | NAB | HAB1 | 0.0° | 0.0° |
| N3 | C2 | NAB | HAB2 | 120.0° | 180.0° |
| NAB | C2 | N1 | C6 | 177.5° | 179.6° |
| C2 | NAB | HAB1 | HAB2 | 120.0° | 180.0° |
| C2 | N1 | C6 | NBF | 179.4° | 179.7° |
| N1 | C2 | NAB | HAB1 | 178.6° | 179.9° |
| N1 | C2 | NAB | HAB2 | 58.6° | 0.1° |
| N1 | C6 | NBF | CAN | 22.1° | 0.2° |
| N1 | C6 | NBF | CAO | 167.1° | 121.0° |
| C6 | NBF | CAN | CAO | 150.5° | 122.2° |
| C6 | NBF | CAN | CAL | 143.0° | 123.2° |
| C6 | NBF | CAO | CAM | 169.6° | 146.4° |
| C6 | NBF | CAN | HAN1 | 97.6° | 117.3° |
| C6 | NBF | CAN | HAN2 | 23.7° | 3.8° |
| C6 | NBF | CAO | HAO1 | 50.6° | 27.5° |
| C6 | NBF | CAO | HAO2 | 71.5° | 94.8° |
| NBF | CAN | CAL | HAN1 | 119.4° | 119.4° |
| NBF | CAN | CAL | HAN2 | 119.4° | 119.4° |
| NBF | CAN | CAL | CAM | 32.8° | 22.3° |
| CAN | NBF | CAO | CAM | 19.8° | 24.1° |
| NBF | CAN | HAN1 | HAN2 | 121.8° | 121.1° |
| CAN | NBF | CAO | HAO1 | 99.1° | 94.7° |
| CAN | NBF | CAO | HAO2 | 138.8° | 143.0° |
| NBF | CAN | CAL | HAL1 | 151.8° | 140.6° |
| NBF | CAN | CAL | HAL2 | 86.1° | 96.1° |
| CAO | NBF | CAN | CAL | 7.5° | 1.0° |
| NBF | CAO | CAM | CAL | 40.5° | 37.1° |
| NBF | CAO | CAM | HAO1 | 118.9° | 118.8° |
| NBF | CAO | CAM | HAO2 | 118.9° | 118.9° |
| CAO | NBF | CAN | HAN1 | 111.9° | 120.4° |
| CAO | NBF | CAN | HAN2 | 126.9° | 118.4° |
| NBF | CAO | HAO1 | HAO2 | 123.1° | 122.3° |
| NBF | CAO | CAM | HAM1 | 78.4° | 81.1° |
| NBF | CAO | CAM | HAM2 | 159.4° | 155.2° |
| CAN | CAL | CAM | HAL1 | 118.9° | 118.4° |
| CAN | CAL | CAM | HAL2 | 118.9° | 118.3° |
| CAN | CAL | CAM | CAO | 45.6° | 35.7° |
| CAL | CAN | HAN1 | HAN2 | 121.9° | 121.2° |
| CAN | CAL | HAL1 | HAL2 | 123.2° | 123.2° |
| CAN | CAL | CAM | HAM1 | 73.3° | 82.5° |
| CAN | CAL | CAM | HAM2 | 164.5° | 153.7° |
| CAL | CAM | CAO | HAM1 | 118.9° | 118.2° |
| CAL | CAM | CAO | HAM2 | 118.9° | 118.1° |
| CAM | CAL | CAN | HAN1 | 86.5° | 97.1° |
| CAM | CAL | CAN | HAN2 | 152.2° | 141.7° |
| CAL | CAM | CAO | HAO1 | 78.4° | 81.7° |
| CAL | CAM | CAO | HAO2 | 159.5° | 155.9° |
| CAM | CAL | HAL1 | HAL2 | 123.1° | 123.2° |
| CAL | CAM | HAM1 | HAM2 | 123.2° | 123.9° |
| CAM | CAO | HAO1 | HAO2 | 123.1° | 122.4° |
| CAO | CAM | CAL | HAL1 | 164.5° | 154.0° |
| CAO | CAM | CAL | HAL2 | 73.4° | 82.7° |
| CAO | CAM | HAM1 | HAM2 | 123.2° | 123.8° |
| HAI | CAI | CAH | HAH | 0.0° | 0.0° |
| HAH | CAH | CAJ | HAJ | 0.6° | 0.0° |
| HAN1 | CAN | CAL | HAL1 | 32.4° | 21.2° |
| HAN1 | CAN | CAL | HAL2 | 154.6° | 144.5° |
| HAN2 | CAN | CAL | HAL1 | 88.9° | 100.0° |
| HAN2 | CAN | CAL | HAL2 | 33.3° | 23.3° |
| HAO1 | CAO | CAM | HAM1 | 162.7° | 160.1° |
| HAO1 | CAO | CAM | HAM2 | 40.5° | 36.4° |
| HAO2 | CAO | CAM | HAM1 | 40.6° | 37.8° |
| HAO2 | CAO | CAM | HAM2 | 81.6° | 86.0° |
| HAL1 | CAL | CAM | HAM1 | 45.6° | 35.9° |
| HAL1 | CAL | CAM | HAM2 | 76.6° | 87.9° |
| HAL2 | CAL | CAM | HAM1 | 167.7° | 159.2° |
| HAL2 | CAL | CAM | HAM2 | 45.5° | 35.4° |
