90K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAT | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAS | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAV | NAW | sing | 1.40Å | 1.33Å | |
| CAV | CAX | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | CAX | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | NAQ | sing | 1.40Å | 1.33Å | |
| NAQ | CAP | sing | 1.35Å | 1.34Å | |
| OAY | CAP | doub | 1.22Å | 1.23Å | |
| CAP | CAO | sing | 1.48Å | 1.39Å | |
| CAZ | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAZ | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.40Å | 1.39Å | Aromatic |
| NAJ | CAK | sing | 1.40Å | 1.36Å | |
| NAJ | CAI | sing | 1.38Å | 1.36Å | |
| CAK | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| NAH | CAI | doub | 1.30Å | 1.35Å | Aromatic |
| NAH | CAG | sing | 1.31Å | 1.35Å | Aromatic |
| CAN | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAI | SBA | sing | 1.71Å | 1.67Å | Aromatic |
| CAG | CAF | doub | 1.37Å | 1.34Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| SBA | CAF | sing | 1.76Å | 1.63Å | Aromatic |
| CAF | CAE | sing | 1.46Å | 1.34Å | |
| CL1 | CAB | sing | 1.74Å | 1.69Å | |
| NAD | CAE | sing | 1.35Å | 1.35Å | |
| NAD | CAC | sing | 1.40Å | 1.35Å | |
| CAE | OBB | doub | 1.22Å | 1.23Å | |
| CAC | CAB | doub | 1.39Å | 1.40Å | Aromatic |
| CAC | CBC | sing | 1.39Å | 1.39Å | Aromatic |
| CAB | CBG | sing | 1.38Å | 1.39Å | Aromatic |
| CBD | CBC | sing | 1.51Å | 1.39Å | |
| CBC | CBE | doub | 1.38Å | 1.39Å | Aromatic |
| CBG | CBF | doub | 1.38Å | 1.39Å | Aromatic |
| CBE | CBF | sing | 1.38Å | 1.39Å | Aromatic |
| CBD | H1 | sing | 1.09Å | 1.10Å | |
| CBD | H2 | sing | 1.09Å | 1.10Å | |
| CBD | H3 | sing | 1.09Å | 1.10Å | |
| CBE | H4 | sing | 1.08Å | 1.08Å | |
| CBF | H5 | sing | 1.08Å | 1.08Å | |
| CBG | H6 | sing | 1.08Å | 1.08Å | |
| NAD | H7 | sing | 0.97Å | 1.00Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| NAJ | H9 | sing | 0.97Å | 1.00Å | |
| CAZ | H10 | sing | 1.08Å | 1.08Å | |
| CAL | H11 | sing | 1.08Å | 1.08Å | |
| CAM | H12 | sing | 1.08Å | 1.08Å | |
| CAN | H13 | sing | 1.08Å | 1.08Å | |
| NAQ | H14 | sing | 0.97Å | 1.00Å | |
| CAX | H15 | sing | 1.08Å | 1.08Å | |
| NAW | H16 | sing | 0.97Å | 1.00Å | |
| NAW | H17 | sing | 0.97Å | 1.00Å | |
| CAU | H18 | sing | 1.08Å | 1.08Å | |
| CAT | H19 | sing | 1.08Å | 1.08Å | |
| CAS | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAU | CAT | CAS | 120.2° | 120.1° |
| CAT | CAU | CAV | 120.0° | 120.0° |
| CAT | CAU | H18 | 120.0° | 120.0° |
| CAU | CAT | H19 | 119.9° | 119.9° |
| CAT | CAS | CAR | 119.7° | 120.1° |
| CAS | CAT | H19 | 119.9° | 120.0° |
| CAT | CAS | H20 | 120.2° | 119.9° |
| CAU | CAV | NAW | 120.4° | 120.0° |
| CAU | CAV | CAX | 119.8° | 119.9° |
| CAV | CAU | H18 | 120.0° | 120.0° |
| CAS | CAR | CAX | 120.0° | 119.9° |
| CAS | CAR | NAQ | 121.0° | 120.0° |
| CAR | CAS | H20 | 120.1° | 120.0° |
| NAW | CAV | CAX | 119.9° | 120.0° |
| CAV | NAW | H16 | 109.5° | 120.0° |
| CAV | NAW | H17 | 109.5° | 120.0° |
| CAV | CAX | CAR | 120.3° | 119.9° |
| CAV | CAX | H15 | 119.9° | 120.0° |
| CAX | CAR | NAQ | 119.0° | 120.1° |
| CAR | CAX | H15 | 119.9° | 120.1° |
| CAR | NAQ | CAP | 114.7° | 120.0° |
| CAR | NAQ | H14 | 122.7° | 120.0° |
| NAQ | CAP | OAY | 123.5° | 120.0° |
| NAQ | CAP | CAO | 116.6° | 119.9° |
| CAP | NAQ | H14 | 122.7° | 120.0° |
| OAY | CAP | CAO | 119.9° | 120.1° |
| CAP | CAO | CAZ | 120.8° | 120.1° |
| CAP | CAO | CAN | 118.6° | 120.2° |
| CAO | CAZ | CAK | 121.2° | 119.8° |
| CAZ | CAO | CAN | 120.6° | 119.8° |
| CAO | CAZ | H10 | 119.4° | 120.1° |
| CAZ | CAK | NAJ | 117.3° | 120.0° |
| CAZ | CAK | CAL | 116.8° | 119.9° |
| CAK | CAZ | H10 | 119.4° | 120.1° |
| CAO | CAN | CAM | 119.3° | 120.0° |
| CAO | CAN | H13 | 120.3° | 120.0° |
| CAK | NAJ | CAI | 126.1° | 120.0° |
| NAJ | CAK | CAL | 125.8° | 120.0° |
| CAK | NAJ | H9 | 116.9° | 120.0° |
| NAJ | CAI | NAH | 122.7° | 124.7° |
| NAJ | CAI | SBA | 130.5° | 124.8° |
| CAI | NAJ | H9 | 117.0° | 120.0° |
| CAK | CAL | CAM | 122.9° | 120.2° |
| CAK | CAL | H11 | 118.6° | 119.8° |
| CAI | NAH | CAG | 114.4° | 117.3° |
| NAH | CAI | SBA | 106.8° | 110.5° |
| NAH | CAG | CAF | 114.1° | 114.1° |
| NAH | CAG | H8 | 122.9° | 123.0° |
| CAN | CAM | CAL | 119.2° | 120.2° |
| CAN | CAM | H12 | 120.4° | 119.9° |
| CAM | CAN | H13 | 120.3° | 120.0° |
| CAI | SBA | CAF | 96.3° | 90.4° |
| CAG | CAF | SBA | 108.3° | 107.8° |
| CAG | CAF | CAE | 127.8° | 126.1° |
| CAF | CAG | H8 | 123.0° | 122.9° |
| CAM | CAL | H11 | 118.5° | 119.9° |
| CAL | CAM | H12 | 120.4° | 119.8° |
| SBA | CAF | CAE | 123.8° | 126.1° |
| CAF | CAE | NAD | 117.5° | 120.0° |
| CAF | CAE | OBB | 119.8° | 120.0° |
| CL1 | CAB | CAC | 122.6° | 120.1° |
| CL1 | CAB | CBG | 117.6° | 120.1° |
| CAE | NAD | CAC | 118.6° | 120.0° |
| NAD | CAE | OBB | 122.7° | 120.0° |
| CAE | NAD | H7 | 120.7° | 120.0° |
| NAD | CAC | CAB | 120.8° | 120.1° |
| NAD | CAC | CBC | 118.9° | 120.1° |
| CAC | NAD | H7 | 120.7° | 120.1° |
| CAB | CAC | CBC | 120.3° | 119.9° |
| CAC | CAB | CBG | 119.8° | 119.9° |
| CAC | CBC | CBD | 121.5° | 120.0° |
| CAC | CBC | CBE | 119.3° | 119.9° |
| CAB | CBG | CBF | 120.2° | 120.1° |
| CAB | CBG | H6 | 119.9° | 119.9° |
| CBD | CBC | CBE | 119.2° | 120.0° |
| CBC | CBD | H1 | 109.5° | 109.5° |
| CBC | CBD | H2 | 109.5° | 109.5° |
| CBC | CBD | H3 | 109.5° | 109.5° |
| CBC | CBE | CBF | 120.6° | 120.1° |
| CBC | CBE | H4 | 119.7° | 119.9° |
| CBG | CBF | CBE | 119.9° | 120.2° |
| CBG | CBF | H5 | 120.0° | 119.9° |
| CBF | CBG | H6 | 119.9° | 120.0° |
| CBF | CBE | H4 | 119.7° | 120.0° |
| CBE | CBF | H5 | 120.1° | 120.0° |
| H1 | CBD | H2 | 109.4° | 109.5° |
| H1 | CBD | H3 | 109.5° | 109.4° |
| H2 | CBD | H3 | 109.5° | 109.5° |
| H16 | NAW | H17 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAU | CAT | CAS | H19 | 180.0° | 179.7° |
| CAT | CAU | CAV | H18 | 180.0° | 179.9° |
| CAU | CAT | CAS | CAR | 0.2° | 0.6° |
| CAT | CAU | CAV | NAW | 180.0° | 180.0° |
| CAT | CAU | CAV | CAX | 0.1° | 0.0° |
| CAU | CAT | CAS | H20 | 179.8° | 180.0° |
| CAS | CAT | CAU | CAV | 0.0° | 0.3° |
| CAT | CAS | CAR | H20 | 180.0° | 179.5° |
| CAT | CAS | CAR | CAX | 0.4° | 0.6° |
| CAT | CAS | CAR | NAQ | 179.6° | 179.8° |
| CAS | CAT | CAU | H18 | 180.0° | 179.8° |
| CAU | CAV | NAW | CAX | 179.9° | 180.0° |
| CAU | CAV | CAX | CAR | 0.1° | 0.0° |
| CAU | CAV | CAX | H15 | 180.0° | 180.0° |
| CAU | CAV | NAW | H16 | 180.0° | 180.0° |
| CAU | CAV | NAW | H17 | 60.0° | 0.1° |
| CAV | CAU | CAT | H19 | 180.0° | 180.0° |
| CAS | CAR | CAX | CAV | 0.3° | 0.3° |
| CAS | CAR | CAX | NAQ | 179.2° | 179.6° |
| CAS | CAR | NAQ | CAP | 103.1° | 146.0° |
| CAS | CAR | NAQ | H14 | 76.9° | 34.0° |
| CAS | CAR | CAX | H15 | 179.7° | 179.8° |
| CAR | CAS | CAT | H19 | 179.8° | 179.7° |
| NAW | CAV | CAX | CAR | 179.8° | 180.0° |
| NAW | CAV | CAX | H15 | 0.2° | 0.0° |
| CAV | NAW | H16 | H17 | 120.0° | 179.9° |
| NAW | CAV | CAU | H18 | 0.0° | 0.1° |
| CAV | CAX | CAR | H15 | 180.0° | 179.9° |
| CAV | CAX | CAR | NAQ | 179.5° | 180.0° |
| CAX | CAV | NAW | H16 | 0.1° | 0.0° |
| CAX | CAV | NAW | H17 | 119.9° | 179.9° |
| CAX | CAV | CAU | H18 | 179.9° | 179.9° |
| CAX | CAR | NAQ | CAP | 76.0° | 34.4° |
| CAX | CAR | NAQ | H14 | 103.9° | 145.6° |
| CAX | CAR | CAS | H20 | 179.6° | 180.0° |
| CAR | NAQ | CAP | H14 | 180.0° | 180.0° |
| CAR | NAQ | CAP | OAY | 0.4° | 5.0° |
| CAR | NAQ | CAP | CAO | 178.2° | 175.1° |
| NAQ | CAR | CAX | H15 | 0.5° | 0.1° |
| NAQ | CAR | CAS | H20 | 0.5° | 0.3° |
| NAQ | CAP | OAY | CAO | 178.5° | 179.9° |
| NAQ | CAP | CAO | CAZ | 100.0° | 180.0° |
| NAQ | CAP | CAO | CAN | 81.6° | 0.1° |
| OAY | CAP | CAO | CAZ | 81.4° | 0.0° |
| OAY | CAP | CAO | CAN | 97.0° | 180.0° |
| OAY | CAP | NAQ | H14 | 179.6° | 175.0° |
| CAP | CAO | CAZ | CAN | 178.3° | 180.0° |
| CAP | CAO | CAZ | CAK | 178.9° | 179.9° |
| CAP | CAO | CAN | CAM | 179.0° | 179.7° |
| CAP | CAO | CAZ | H10 | 1.1° | 0.0° |
| CAP | CAO | CAN | H13 | 1.0° | 0.0° |
| CAO | CAP | NAQ | H14 | 1.8° | 4.9° |
| CAO | CAZ | CAK | H10 | 180.0° | 180.0° |
| CAO | CAZ | CAK | NAJ | 179.8° | 179.9° |
| CAO | CAZ | CAK | CAL | 0.2° | 0.2° |
| CAZ | CAO | CAN | CAM | 0.7° | 0.2° |
| CAZ | CAO | CAN | H13 | 179.4° | 180.0° |
| CAK | CAZ | CAO | CAN | 0.6° | 0.0° |
| CAZ | CAK | NAJ | CAL | 179.9° | 179.7° |
| CAZ | CAK | NAJ | CAI | 177.6° | 26.3° |
| CAZ | CAK | CAL | CAM | 0.0° | 0.3° |
| CAZ | CAK | NAJ | H9 | 2.4° | 153.8° |
| CAZ | CAK | CAL | H11 | 180.0° | 179.7° |
| CAO | CAN | CAM | H13 | 180.0° | 179.7° |
| CAO | CAN | CAM | CAL | 0.4° | 0.2° |
| CAN | CAO | CAZ | H10 | 179.4° | 180.0° |
| CAO | CAN | CAM | H12 | 179.6° | 179.7° |
| CAK | NAJ | CAI | H9 | 180.0° | 179.9° |
| CAK | NAJ | CAI | NAH | 179.2° | 6.2° |
| CAK | NAJ | CAI | SBA | 0.6° | 174.0° |
| NAJ | CAK | CAL | CAM | 179.9° | 180.0° |
| NAJ | CAK | CAZ | H10 | 0.1° | 0.1° |
| NAJ | CAK | CAL | H11 | 0.1° | 0.0° |
| CAI | NAJ | CAK | CAL | 2.5° | 154.0° |
| NAJ | CAI | NAH | SBA | 179.8° | 179.9° |
| NAJ | CAI | NAH | CAG | 179.7° | 180.0° |
| NAJ | CAI | SBA | CAF | 179.9° | 179.9° |
| CAK | CAL | CAM | CAN | 0.1° | 0.0° |
| CAK | CAL | CAM | H11 | 180.0° | 180.0° |
| CAL | CAK | NAJ | H9 | 177.5° | 25.9° |
| CAL | CAK | CAZ | H10 | 179.8° | 179.8° |
| CAK | CAL | CAM | H12 | 179.9° | 180.0° |
| CAI | NAH | CAG | CAF | 0.7° | 0.1° |
| NAH | CAI | SBA | CAF | 0.0° | 0.2° |
| CAI | NAH | CAG | H8 | 179.3° | 179.8° |
| NAH | CAI | NAJ | H9 | 0.8° | 173.8° |
| CAG | NAH | CAI | SBA | 0.4° | 0.2° |
| NAH | CAG | CAF | H8 | 180.0° | 179.9° |
| NAH | CAG | CAF | SBA | 0.7° | 0.2° |
| NAH | CAG | CAF | CAE | 179.9° | 179.9° |
| CAN | CAM | CAL | H12 | 180.0° | 179.9° |
| CAN | CAM | CAL | H11 | 179.9° | 180.0° |
| CAI | SBA | CAF | CAG | 0.4° | 0.3° |
| CAI | SBA | CAF | CAE | 179.6° | 180.0° |
| SBA | CAI | NAJ | H9 | 179.4° | 6.1° |
| CAG | CAF | SBA | CAE | 179.2° | 179.7° |
| CAG | CAF | CAE | NAD | 8.6° | 179.7° |
| CAG | CAF | CAE | OBB | 170.2° | 0.4° |
| CAL | CAM | CAN | H13 | 179.6° | 179.9° |
| SBA | CAF | CAE | NAD | 172.3° | 0.1° |
| SBA | CAF | CAE | OBB | 8.9° | 180.0° |
| SBA | CAF | CAG | H8 | 179.3° | 179.7° |
| CAF | CAE | NAD | OBB | 178.8° | 179.9° |
| CAF | CAE | NAD | CAC | 177.6° | 176.5° |
| CAF | CAE | NAD | H7 | 2.3° | 3.4° |
| CAE | CAF | CAG | H8 | 0.2° | 0.0° |
| CL1 | CAB | CAC | NAD | 0.7° | 0.3° |
| CL1 | CAB | CAC | CBG | 179.6° | 179.8° |
| CL1 | CAB | CAC | CBC | 179.7° | 179.7° |
| CL1 | CAB | CBG | CBF | 179.9° | 180.0° |
| CL1 | CAB | CBG | H6 | 0.1° | 0.0° |
| CAE | NAD | CAC | H7 | 180.0° | 180.0° |
| CAE | NAD | CAC | CAB | 101.2° | 42.6° |
| CAE | NAD | CAC | CBC | 79.8° | 138.0° |
| CAC | NAD | CAE | OBB | 1.2° | 3.6° |
| NAD | CAC | CAB | CBC | 179.0° | 179.4° |
| NAD | CAC | CAB | CBG | 179.6° | 180.0° |
| NAD | CAC | CBC | CBD | 0.4° | 0.3° |
| NAD | CAC | CBC | CBE | 179.5° | 180.0° |
| OBB | CAE | NAD | H7 | 178.8° | 176.4° |
| CAB | CAC | CBC | CBD | 179.4° | 179.7° |
| CAB | CAC | CBC | CBE | 0.5° | 0.6° |
| CAC | CAB | CBG | CBF | 0.4° | 0.2° |
| CAC | CAB | CBG | H6 | 179.6° | 179.7° |
| CAB | CAC | NAD | H7 | 78.8° | 137.4° |
| CBC | CAC | CAB | CBG | 0.6° | 0.5° |
| CAC | CBC | CBD | CBE | 179.9° | 179.7° |
| CAC | CBC | CBE | CBF | 0.1° | 0.4° |
| CAC | CBC | CBD | H1 | 90.0° | 90.3° |
| CAC | CBC | CBD | H2 | 150.1° | 29.7° |
| CAC | CBC | CBD | H3 | 30.1° | 149.7° |
| CAC | CBC | CBE | H4 | 179.9° | 179.7° |
| CBC | CAC | NAD | H7 | 100.2° | 42.1° |
| CAB | CBG | CBF | H6 | 180.0° | 180.0° |
| CAB | CBG | CBF | CBE | 0.0° | 0.0° |
| CAB | CBG | CBF | H5 | 180.0° | 180.0° |
| CBD | CBC | CBE | CBF | 179.8° | 180.0° |
| CBC | CBD | H1 | H2 | 120.0° | 120.0° |
| CBC | CBD | H1 | H3 | 120.0° | 120.0° |
| CBC | CBD | H2 | H3 | 120.0° | 120.0° |
| CBD | CBC | CBE | H4 | 0.2° | 0.1° |
| CBC | CBE | CBF | CBG | 0.1° | 0.1° |
| CBC | CBE | CBF | H4 | 180.0° | 179.9° |
| CBE | CBC | CBD | H1 | 89.9° | 90.0° |
| CBE | CBC | CBD | H2 | 30.0° | 150.0° |
| CBE | CBC | CBD | H3 | 150.0° | 29.9° |
| CBC | CBE | CBF | H5 | 179.9° | 179.9° |
| CBG | CBF | CBE | H5 | 180.0° | 180.0° |
| CBG | CBF | CBE | H4 | 179.9° | 180.0° |
| CBE | CBF | CBG | H6 | 180.0° | 180.0° |
| H1 | CBD | H2 | H3 | 120.0° | 120.0° |
| H4 | CBE | CBF | H5 | 0.1° | 0.0° |
| H5 | CBF | CBG | H6 | 0.0° | 0.1° |
| H11 | CAL | CAM | H12 | 0.1° | 0.0° |
| H12 | CAM | CAN | H13 | 0.4° | 0.0° |
| H18 | CAU | CAT | H19 | 0.0° | 0.1° |
| H19 | CAT | CAS | H20 | 0.2° | 0.2° |
