2NG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAJ | NBL | sing | 1.22Å | 1.44Å | |
| CAP | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CBG | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| NBL | CBG | sing | 1.48Å | 1.33Å | |
| NBL | OAK | doub | 1.22Å | 1.46Å | |
| CBG | CAW | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | CBC | doub | 1.40Å | 1.41Å | Aromatic |
| CAW | CBC | sing | 1.40Å | 1.39Å | Aromatic |
| CBC | CAZ | sing | 1.48Å | 1.41Å | |
| NAX | CAZ | sing | 1.35Å | 1.35Å | |
| NAX | CBE | sing | 1.40Å | 1.34Å | |
| CAZ | OAB | doub | 1.22Å | 1.23Å | |
| CAA | CBB | sing | 1.51Å | 1.41Å | |
| CBE | CBB | doub | 1.39Å | 1.41Å | Aromatic |
| CBE | CAV | sing | 1.39Å | 1.40Å | Aromatic |
| CBB | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CBD | doub | 1.40Å | 1.40Å | Aromatic |
| CAO | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
| CBD | CAQ | sing | 1.40Å | 1.41Å | Aromatic |
| CBD | CBA | sing | 1.48Å | 1.41Å | |
| CBA | OAC | doub | 1.22Å | 1.23Å | |
| CBA | NAY | sing | 1.35Å | 1.37Å | |
| CAS | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAS | CBF | sing | 1.38Å | 1.40Å | Aromatic |
| NAY | CBF | sing | 1.40Å | 1.36Å | |
| CAT | CBH | sing | 1.36Å | 1.39Å | Aromatic |
| CBF | CBK | doub | 1.41Å | 1.43Å | Aromatic |
| OAG | SBN | doub | 1.42Å | 1.53Å | |
| OAD | SBM | doub | 1.42Å | 1.53Å | |
| CBH | SBM | sing | 1.76Å | 1.79Å | |
| CBH | CBJ | doub | 1.40Å | 1.40Å | Aromatic |
| CBK | CBJ | sing | 1.42Å | 1.42Å | Aromatic |
| CBK | CBI | sing | 1.40Å | 1.42Å | Aromatic |
| OAF | SBN | doub | 1.42Å | 1.53Å | |
| SBN | CBI | sing | 1.76Å | 1.73Å | |
| SBN | OAI | sing | 1.52Å | 1.54Å | |
| SBM | OAH | doub | 1.42Å | 1.52Å | |
| SBM | OAE | sing | 1.52Å | 1.52Å | |
| CBJ | CAU | sing | 1.41Å | 1.40Å | Aromatic |
| CBI | CAR | doub | 1.36Å | 1.39Å | Aromatic |
| CAU | CAM | doub | 1.36Å | 1.38Å | Aromatic |
| CAR | CAM | sing | 1.39Å | 1.38Å | Aromatic |
| CAR | H1 | sing | 1.08Å | 1.08Å | |
| CAM | H2 | sing | 1.08Å | 1.08Å | |
| CAU | H3 | sing | 1.08Å | 1.08Å | |
| CAT | H4 | sing | 1.08Å | 1.08Å | |
| CAS | H5 | sing | 1.08Å | 1.08Å | |
| NAY | H6 | sing | 0.97Å | 1.00Å | |
| CAV | H7 | sing | 1.08Å | 1.08Å | |
| CAQ | H8 | sing | 1.08Å | 1.08Å | |
| CAO | H9 | sing | 1.08Å | 1.08Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| NAX | H13 | sing | 0.97Å | 1.00Å | |
| CAW | H14 | sing | 1.08Å | 1.08Å | |
| CAN | H15 | sing | 1.08Å | 1.08Å | |
| CAL | H16 | sing | 1.08Å | 1.08Å | |
| CAP | H17 | sing | 1.08Å | 1.08Å | |
| OAI | H18 | sing | 0.97Å | 0.95Å | |
| OAE | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAJ | NBL | CBG | 120.9° | 120.0° |
| OAJ | NBL | OAK | 119.1° | 120.0° |
| CAL | CAP | CBG | 119.5° | 120.3° |
| CAP | CAL | CAN | 119.8° | 120.1° |
| CAP | CAL | H16 | 120.1° | 120.0° |
| CAL | CAP | H17 | 120.2° | 119.8° |
| CAP | CBG | NBL | 120.8° | 119.9° |
| CAP | CBG | CAW | 120.2° | 120.2° |
| CBG | CAP | H17 | 120.3° | 119.9° |
| CAL | CAN | CBC | 121.3° | 119.8° |
| CAL | CAN | H15 | 119.4° | 120.1° |
| CAN | CAL | H16 | 120.1° | 119.9° |
| CBG | NBL | OAK | 120.0° | 120.0° |
| NBL | CBG | CAW | 119.0° | 119.9° |
| CBG | CAW | CBC | 120.9° | 119.8° |
| CBG | CAW | H14 | 119.6° | 120.1° |
| CAN | CBC | CAW | 118.3° | 119.8° |
| CAN | CBC | CAZ | 122.0° | 120.1° |
| CBC | CAN | H15 | 119.4° | 120.1° |
| CAW | CBC | CAZ | 119.6° | 120.1° |
| CBC | CAW | H14 | 119.6° | 120.1° |
| CBC | CAZ | NAX | 114.2° | 120.0° |
| CBC | CAZ | OAB | 121.6° | 120.0° |
| CAZ | NAX | CBE | 121.3° | 120.0° |
| NAX | CAZ | OAB | 124.1° | 120.0° |
| CAZ | NAX | H13 | 119.4° | 120.0° |
| NAX | CBE | CBB | 116.4° | 120.0° |
| NAX | CBE | CAV | 121.5° | 120.0° |
| CBE | NAX | H13 | 119.4° | 120.0° |
| CAA | CBB | CBE | 122.0° | 119.9° |
| CAA | CBB | CAO | 119.8° | 119.9° |
| CBB | CAA | H10 | 109.5° | 109.5° |
| CBB | CAA | H11 | 109.5° | 109.5° |
| CBB | CAA | H12 | 109.5° | 109.5° |
| CBB | CBE | CAV | 122.0° | 120.0° |
| CBE | CBB | CAO | 118.2° | 120.3° |
| CBE | CAV | CBD | 120.0° | 119.8° |
| CBE | CAV | H7 | 120.1° | 120.1° |
| CBB | CAO | CAQ | 119.6° | 120.2° |
| CBB | CAO | H9 | 120.2° | 119.9° |
| CAV | CBD | CAQ | 117.4° | 119.8° |
| CAV | CBD | CBA | 119.0° | 120.1° |
| CBD | CAV | H7 | 120.0° | 120.1° |
| CAO | CAQ | CBD | 122.8° | 120.0° |
| CAO | CAQ | H8 | 118.6° | 120.0° |
| CAQ | CAO | H9 | 120.2° | 119.9° |
| CAQ | CBD | CBA | 123.6° | 120.1° |
| CBD | CAQ | H8 | 118.6° | 120.0° |
| CBD | CBA | OAC | 119.2° | 120.0° |
| CBD | CBA | NAY | 116.7° | 120.0° |
| OAC | CBA | NAY | 124.1° | 120.0° |
| CBA | NAY | CBF | 122.8° | 120.0° |
| CBA | NAY | H6 | 118.6° | 120.0° |
| CAT | CAS | CBF | 121.0° | 120.8° |
| CAS | CAT | CBH | 120.3° | 121.0° |
| CAS | CAT | H4 | 119.8° | 119.5° |
| CAT | CAS | H5 | 119.5° | 119.6° |
| CAS | CBF | NAY | 118.3° | 120.3° |
| CAS | CBF | CBK | 119.7° | 119.4° |
| CBF | CAS | H5 | 119.5° | 119.6° |
| NAY | CBF | CBK | 121.9° | 120.3° |
| CBF | NAY | H6 | 118.6° | 120.0° |
| CAT | CBH | SBM | 118.6° | 120.0° |
| CAT | CBH | CBJ | 119.9° | 120.0° |
| CBH | CAT | H4 | 119.9° | 119.5° |
| CBF | CBK | CBJ | 118.3° | 119.4° |
| CBF | CBK | CBI | 124.6° | 121.2° |
| OAG | SBN | OAF | 114.6° | 123.1° |
| OAG | SBN | CBI | 107.3° | 106.4° |
| OAG | SBN | OAI | 107.2° | 106.4° |
| OAD | SBM | CBH | 110.8° | 106.4° |
| OAD | SBM | OAH | 106.9° | 123.2° |
| OAD | SBM | OAE | 111.8° | 106.4° |
| SBM | CBH | CBJ | 121.5° | 120.0° |
| CBH | SBM | OAH | 109.6° | 106.4° |
| CBH | SBM | OAE | 110.3° | 107.2° |
| CBH | CBJ | CBK | 120.8° | 119.5° |
| CBH | CBJ | CAU | 118.7° | 121.2° |
| CBJ | CBK | CBI | 117.0° | 119.4° |
| CBK | CBJ | CAU | 120.5° | 119.3° |
| CBK | CBI | SBN | 123.4° | 120.2° |
| CBK | CBI | CAR | 121.2° | 119.7° |
| OAF | SBN | CBI | 108.1° | 106.4° |
| OAF | SBN | OAI | 108.0° | 106.4° |
| CBI | SBN | OAI | 111.7° | 107.2° |
| SBN | CBI | CAR | 115.5° | 120.2° |
| SBN | OAI | H18 | 109.5° | 114.0° |
| OAH | SBM | OAE | 107.3° | 106.4° |
| SBM | OAE | H19 | 109.5° | 114.0° |
| CBJ | CAU | CAM | 121.1° | 119.7° |
| CBJ | CAU | H3 | 119.4° | 120.1° |
| CBI | CAR | CAM | 120.8° | 121.0° |
| CBI | CAR | H1 | 119.6° | 119.5° |
| CAU | CAM | CAR | 119.4° | 121.0° |
| CAU | CAM | H2 | 120.3° | 119.5° |
| CAM | CAU | H3 | 119.5° | 120.2° |
| CAM | CAR | H1 | 119.6° | 119.5° |
| CAR | CAM | H2 | 120.3° | 119.5° |
| H10 | CAA | H11 | 109.5° | 109.5° |
| H10 | CAA | H12 | 109.5° | 109.5° |
| H11 | CAA | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAJ | NBL | CBG | CAP | 19.5° | 180.0° |
| OAJ | NBL | CBG | OAK | 178.9° | 179.9° |
| OAJ | NBL | CBG | CAW | 160.9° | 0.2° |
| CAL | CAP | CBG | H17 | 180.0° | 179.7° |
| CAP | CAL | CAN | H16 | 180.0° | 180.0° |
| CAL | CAP | CBG | NBL | 179.6° | 180.0° |
| CAL | CAP | CBG | CAW | 0.0° | 0.2° |
| CAP | CAL | CAN | CBC | 0.3° | 0.0° |
| CAP | CAL | CAN | H15 | 179.7° | 180.0° |
| CBG | CAP | CAL | CAN | 0.3° | 0.3° |
| CAP | CBG | NBL | CAW | 179.5° | 179.8° |
| CAP | CBG | NBL | OAK | 159.3° | 0.0° |
| CAP | CBG | CAW | CBC | 0.2° | 0.1° |
| CAP | CBG | CAW | H14 | 179.8° | 180.0° |
| CBG | CAP | CAL | H16 | 179.7° | 179.7° |
| CAL | CAN | CBC | H15 | 180.0° | 180.0° |
| CAL | CAN | CBC | CAW | 0.1° | 0.3° |
| CAL | CAN | CBC | CAZ | 179.1° | 180.0° |
| CAN | CAL | CAP | H17 | 179.7° | 179.9° |
| NBL | CBG | CAW | CBC | 179.4° | 179.7° |
| NBL | CBG | CAW | H14 | 0.6° | 0.2° |
| NBL | CBG | CAP | H17 | 0.4° | 0.3° |
| OAK | NBL | CBG | CAW | 20.2° | 179.7° |
| CBG | CAW | CBC | CAN | 0.2° | 0.3° |
| CBG | CAW | CBC | H14 | 180.0° | 179.9° |
| CBG | CAW | CBC | CAZ | 179.4° | 180.0° |
| CAW | CBG | CAP | H17 | 180.0° | 179.9° |
| CAN | CBC | CAW | CAZ | 179.2° | 179.7° |
| CAN | CBC | CAZ | NAX | 36.7° | 0.3° |
| CAN | CBC | CAZ | OAB | 146.3° | 179.7° |
| CAN | CBC | CAW | H14 | 179.9° | 179.8° |
| CBC | CAN | CAL | H16 | 179.7° | 180.0° |
| CAW | CBC | CAZ | NAX | 142.4° | 180.0° |
| CAW | CBC | CAZ | OAB | 34.5° | 0.0° |
| CAW | CBC | CAN | H15 | 179.9° | 179.7° |
| CBC | CAZ | NAX | OAB | 176.9° | 180.0° |
| CBC | CAZ | NAX | CBE | 179.7° | 176.3° |
| CBC | CAZ | NAX | H13 | 0.3° | 3.7° |
| CAZ | CBC | CAW | H14 | 0.6° | 0.1° |
| CAZ | CBC | CAN | H15 | 0.9° | 0.0° |
| CAZ | NAX | CBE | H13 | 180.0° | 180.0° |
| CAZ | NAX | CBE | CBB | 96.2° | 153.2° |
| CAZ | NAX | CBE | CAV | 86.6° | 25.9° |
| CBE | NAX | CAZ | OAB | 3.4° | 3.7° |
| NAX | CBE | CBB | CAA | 2.1° | 0.5° |
| NAX | CBE | CBB | CAV | 177.2° | 179.1° |
| NAX | CBE | CBB | CAO | 178.5° | 180.0° |
| NAX | CBE | CAV | CBD | 178.5° | 179.7° |
| NAX | CBE | CAV | H7 | 1.4° | 0.3° |
| OAB | CAZ | NAX | H13 | 176.6° | 176.3° |
| CAA | CBB | CBE | CAO | 179.4° | 179.5° |
| CAA | CBB | CBE | CAV | 179.3° | 179.7° |
| CAA | CBB | CAO | CAQ | 179.8° | 179.9° |
| CAA | CBB | CAO | H9 | 0.2° | 0.1° |
| CBB | CAA | H10 | H11 | 120.0° | 120.0° |
| CBB | CAA | H10 | H12 | 120.0° | 120.1° |
| CBB | CAA | H11 | H12 | 120.0° | 120.0° |
| CBB | CBE | CAV | CBD | 1.5° | 0.6° |
| CBE | CBB | CAO | CAQ | 0.5° | 0.6° |
| CBB | CBE | CAV | H7 | 178.5° | 179.4° |
| CBE | CBB | CAO | H9 | 179.6° | 179.4° |
| CBE | CBB | CAA | H10 | 90.3° | 90.5° |
| CBE | CBB | CAA | H11 | 149.6° | 29.5° |
| CBE | CBB | CAA | H12 | 29.6° | 149.5° |
| CBB | CBE | NAX | H13 | 83.9° | 26.9° |
| CAV | CBE | CBB | CAO | 1.3° | 0.8° |
| CBE | CAV | CBD | H7 | 180.0° | 180.0° |
| CBE | CAV | CBD | CAQ | 0.8° | 0.0° |
| CBE | CAV | CBD | CBA | 179.7° | 179.7° |
| CAV | CBE | NAX | H13 | 93.4° | 154.0° |
| CBB | CAO | CAQ | H9 | 180.0° | 180.0° |
| CBB | CAO | CAQ | CBD | 0.2° | 0.0° |
| CBB | CAO | CAQ | H8 | 179.8° | 180.0° |
| CAO | CBB | CAA | H10 | 90.3° | 90.0° |
| CAO | CBB | CAA | H11 | 29.7° | 150.0° |
| CAO | CBB | CAA | H12 | 149.7° | 30.0° |
| CAV | CBD | CAQ | CAO | 0.0° | 0.3° |
| CAV | CBD | CAQ | CBA | 179.5° | 179.7° |
| CAV | CBD | CBA | OAC | 37.6° | 6.0° |
| CAV | CBD | CBA | NAY | 143.5° | 174.1° |
| CAV | CBD | CAQ | H8 | 180.0° | 179.7° |
| CAO | CAQ | CBD | H8 | 180.0° | 180.0° |
| CAO | CAQ | CBD | CBA | 179.4° | 180.0° |
| CAQ | CBD | CBA | OAC | 143.0° | 174.3° |
| CAQ | CBD | CBA | NAY | 36.0° | 5.6° |
| CAQ | CBD | CAV | H7 | 179.2° | 180.0° |
| CBD | CAQ | CAO | H9 | 179.8° | 180.0° |
| CBD | CBA | OAC | NAY | 178.9° | 179.9° |
| CBD | CBA | NAY | CBF | 175.0° | 174.5° |
| CBD | CBA | NAY | H6 | 5.0° | 5.4° |
| CBA | CBD | CAV | H7 | 0.3° | 0.3° |
| CBA | CBD | CAQ | H8 | 0.6° | 0.0° |
| OAC | CBA | NAY | CBF | 6.1° | 5.5° |
| OAC | CBA | NAY | H6 | 173.9° | 174.5° |
| CBA | NAY | CBF | CAS | 58.9° | 44.0° |
| CBA | NAY | CBF | H6 | 180.0° | 180.0° |
| CBA | NAY | CBF | CBK | 126.2° | 136.1° |
| CAT | CAS | CBF | H5 | 180.0° | 179.9° |
| CAT | CAS | CBF | NAY | 177.5° | 180.0° |
| CAS | CAT | CBH | H4 | 180.0° | 180.0° |
| CAT | CAS | CBF | CBK | 2.5° | 0.1° |
| CAS | CAT | CBH | SBM | 179.1° | 180.0° |
| CAS | CAT | CBH | CBJ | 0.4° | 0.0° |
| CAS | CBF | NAY | CBK | 174.9° | 179.9° |
| CBF | CAS | CAT | CBH | 1.1° | 0.1° |
| CAS | CBF | CBK | CBJ | 2.3° | 0.1° |
| CAS | CBF | CBK | CBI | 178.7° | 179.9° |
| CBF | CAS | CAT | H4 | 178.9° | 180.0° |
| CAS | CBF | NAY | H6 | 121.1° | 136.0° |
| NAY | CBF | CBK | CBJ | 177.1° | 180.0° |
| NAY | CBF | CBK | CBI | 3.9° | 0.0° |
| NAY | CBF | CAS | H5 | 2.5° | 0.1° |
| CAT | CBH | SBM | OAD | 2.8° | 143.6° |
| CAT | CBH | SBM | CBJ | 178.7° | 179.9° |
| CAT | CBH | CBJ | CBK | 0.5° | 0.0° |
| CAT | CBH | SBM | OAH | 120.5° | 83.5° |
| CAT | CBH | SBM | OAE | 121.5° | 30.0° |
| CAT | CBH | CBJ | CAU | 179.4° | 180.0° |
| CBH | CAT | CAS | H5 | 178.9° | 180.0° |
| CBF | CBK | CBJ | CBH | 0.9° | 0.0° |
| CBF | CBK | CBJ | CBI | 179.0° | 180.0° |
| CBF | CBK | CBI | SBN | 1.5° | 0.0° |
| CBF | CBK | CBJ | CAU | 179.2° | 180.0° |
| CBF | CBK | CBI | CAR | 179.0° | 179.7° |
| CBK | CBF | CAS | H5 | 177.6° | 180.0° |
| CBK | CBF | NAY | H6 | 53.8° | 44.0° |
| OAG | SBN | CBI | CBK | 57.8° | 173.9° |
| OAG | SBN | OAF | CBI | 119.6° | 123.0° |
| OAG | SBN | OAF | OAI | 119.4° | 122.9° |
| OAG | SBN | CBI | OAI | 117.2° | 113.6° |
| OAG | SBN | CBI | CAR | 121.7° | 5.9° |
| OAG | SBN | OAI | H18 | 0.0° | 60.3° |
| OAD | SBM | CBH | OAH | 117.8° | 132.9° |
| OAD | SBM | CBH | OAE | 124.3° | 113.6° |
| OAD | SBM | CBH | CBJ | 175.9° | 36.5° |
| OAD | SBM | OAH | OAE | 120.1° | 123.0° |
| OAD | SBM | OAE | H19 | 116.9° | 66.4° |
| SBM | CBH | CBJ | CBK | 179.2° | 180.0° |
| CBH | SBM | OAH | OAE | 119.8° | 114.1° |
| SBM | CBH | CBJ | CAU | 0.7° | 0.0° |
| SBM | CBH | CAT | H4 | 0.9° | 0.0° |
| CBH | SBM | OAE | H19 | 119.3° | 179.9° |
| CBH | CBJ | CBK | CAU | 179.9° | 180.0° |
| CBH | CBJ | CBK | CBI | 179.9° | 180.0° |
| CBJ | CBH | SBM | OAH | 58.1° | 96.4° |
| CBJ | CBH | SBM | OAE | 59.8° | 150.1° |
| CBH | CBJ | CAU | CAM | 179.8° | 179.8° |
| CBH | CBJ | CAU | H3 | 0.2° | 0.0° |
| CBJ | CBH | CAT | H4 | 179.6° | 180.0° |
| CBJ | CBK | CBI | SBN | 179.5° | 180.0° |
| CBJ | CBK | CBI | CAR | 0.0° | 0.3° |
| CBK | CBJ | CAU | CAM | 0.3° | 0.2° |
| CBK | CBJ | CAU | H3 | 179.8° | 180.0° |
| CBK | CBI | SBN | OAF | 66.3° | 41.0° |
| CBK | CBI | SBN | CAR | 179.5° | 179.8° |
| CBK | CBI | SBN | OAI | 175.0° | 72.5° |
| CBI | CBK | CBJ | CAU | 0.2° | 0.0° |
| CBK | CBI | CAR | CAM | 0.1° | 0.2° |
| CBK | CBI | CAR | H1 | 179.9° | 179.7° |
| OAF | SBN | CBI | OAI | 118.7° | 113.5° |
| OAF | SBN | CBI | CAR | 114.2° | 138.8° |
| OAF | SBN | OAI | H18 | 124.0° | 72.7° |
| SBN | CBI | CAR | CAM | 179.4° | 180.0° |
| SBN | CBI | CAR | H1 | 0.6° | 0.1° |
| CBI | SBN | OAI | H18 | 117.3° | 173.8° |
| OAI | SBN | CBI | CAR | 4.5° | 107.7° |
| OAH | SBM | OAE | H19 | 0.0° | 66.5° |
| CBJ | CAU | CAM | H3 | 180.0° | 179.8° |
| CBJ | CAU | CAM | CAR | 0.1° | 0.2° |
| CBJ | CAU | CAM | H2 | 179.8° | 179.7° |
| CBI | CAR | CAM | CAU | 0.0° | 0.0° |
| CBI | CAR | CAM | H1 | 180.0° | 179.9° |
| CBI | CAR | CAM | H2 | 180.0° | 180.0° |
| CAU | CAM | CAR | H2 | 180.0° | 180.0° |
| CAU | CAM | CAR | H1 | 180.0° | 179.9° |
| CAR | CAM | CAU | H3 | 179.9° | 180.0° |
| H1 | CAR | CAM | H2 | 0.0° | 0.0° |
| H2 | CAM | CAU | H3 | 0.2° | 0.0° |
| H4 | CAT | CAS | H5 | 1.1° | 0.1° |
| H8 | CAQ | CAO | H9 | 0.2° | 0.0° |
| H10 | CAA | H11 | H12 | 120.0° | 119.9° |
| H15 | CAN | CAL | H16 | 0.3° | 0.0° |
| H16 | CAL | CAP | H17 | 0.3° | 0.0° |
