T0C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAL | CAH | sing | 1.36Å | 1.35Å | |
| OAN | CAI | doub | 1.22Å | 1.23Å | |
| CAH | CAI | sing | 1.46Å | 1.34Å | |
| CAH | CAG | doub | 1.35Å | 1.34Å | |
| CAI | OAJ | sing | 1.35Å | 1.36Å | |
| CAF | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAA | sing | 1.40Å | 1.40Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAA | sing | 1.47Å | 1.37Å | |
| CAG | CAK | sing | 1.51Å | 1.41Å | |
| CAA | CAB | doub | 1.40Å | 1.41Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| OAJ | CAK | sing | 1.45Å | 1.43Å | |
| CAB | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAM | sing | 1.51Å | 1.38Å | |
| CAO | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CAQ | doub | 1.39Å | 1.40Å | Aromatic |
| CAS | CAR | doub | 1.38Å | 1.37Å | Aromatic |
| CAQ | CAR | sing | 1.39Å | 1.38Å | Aromatic |
| CAQ | OAT | sing | 1.36Å | 1.35Å | |
| CBB | CBC | doub | 1.36Å | 1.40Å | Aromatic |
| CBB | CAW | sing | 1.41Å | 1.40Å | Aromatic |
| CBC | CBD | sing | 1.39Å | 1.40Å | Aromatic |
| CAU | OAT | sing | 1.43Å | 1.43Å | |
| CAU | CAV | sing | 1.51Å | 1.34Å | |
| CAW | CAV | doub | 1.41Å | 1.40Å | Aromatic |
| CAW | CAX | sing | 1.42Å | 1.39Å | Aromatic |
| CAV | CBA | sing | 1.36Å | 1.38Å | Aromatic |
| CBD | CBE | doub | 1.36Å | 1.40Å | Aromatic |
| CBA | CAZ | doub | 1.39Å | 1.37Å | Aromatic |
| CAX | CBE | sing | 1.41Å | 1.40Å | Aromatic |
| CAX | CAY | doub | 1.40Å | 1.39Å | Aromatic |
| CAY | CAZ | sing | 1.36Å | 1.39Å | Aromatic |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAO | H7 | sing | 1.08Å | 1.08Å | |
| CAP | H8 | sing | 1.08Å | 1.08Å | |
| CAR | H9 | sing | 1.08Å | 1.08Å | |
| CAS | H10 | sing | 1.08Å | 1.08Å | |
| CAU | H11 | sing | 1.09Å | 1.10Å | |
| CAU | H12 | sing | 1.09Å | 1.10Å | |
| CAY | H13 | sing | 1.08Å | 1.08Å | |
| CAZ | H14 | sing | 1.08Å | 1.08Å | |
| CBA | H15 | sing | 1.08Å | 1.08Å | |
| CBB | H16 | sing | 1.08Å | 1.08Å | |
| CBC | H17 | sing | 1.08Å | 1.08Å | |
| CBD | H18 | sing | 1.08Å | 1.08Å | |
| CBE | H19 | sing | 1.08Å | 1.08Å | |
| OAL | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAL | CAH | CAI | 124.1° | 125.5° |
| OAL | CAH | CAG | 127.7° | 125.4° |
| CAH | OAL | H20 | 109.5° | 113.9° |
| OAN | CAI | CAH | 120.7° | 124.9° |
| OAN | CAI | OAJ | 122.6° | 124.9° |
| CAI | CAH | CAG | 108.1° | 109.2° |
| CAH | CAI | OAJ | 116.6° | 110.1° |
| CAH | CAG | CAA | 127.1° | 126.7° |
| CAH | CAG | CAK | 104.6° | 106.6° |
| CAI | OAJ | CAK | 98.3° | 108.0° |
| CAE | CAF | CAA | 122.0° | 119.9° |
| CAF | CAE | CAD | 120.3° | 120.2° |
| CAF | CAE | H4 | 119.9° | 119.9° |
| CAE | CAF | H5 | 119.0° | 120.1° |
| CAF | CAA | CAG | 121.6° | 120.2° |
| CAF | CAA | CAB | 115.9° | 119.6° |
| CAA | CAF | H5 | 119.0° | 120.1° |
| CAE | CAD | CAC | 119.5° | 120.3° |
| CAE | CAD | H3 | 120.3° | 119.9° |
| CAD | CAE | H4 | 119.8° | 119.9° |
| CAA | CAG | CAK | 128.3° | 126.7° |
| CAG | CAA | CAB | 122.2° | 120.2° |
| CAG | CAK | OAJ | 112.3° | 106.1° |
| CAG | CAK | CAM | 123.7° | 110.1° |
| CAG | CAK | H6 | 100.4° | 110.1° |
| CAA | CAB | CAC | 122.8° | 119.8° |
| CAA | CAB | H1 | 118.6° | 120.0° |
| CAD | CAC | CAB | 119.3° | 120.2° |
| CAD | CAC | H2 | 120.4° | 119.9° |
| CAC | CAD | H3 | 120.2° | 119.8° |
| OAJ | CAK | CAM | 114.2° | 110.0° |
| OAJ | CAK | H6 | 100.3° | 110.3° |
| CAC | CAB | H1 | 118.6° | 120.1° |
| CAB | CAC | H2 | 120.4° | 119.9° |
| CAK | CAM | CAO | 121.2° | 120.0° |
| CAK | CAM | CAS | 116.1° | 119.9° |
| CAM | CAK | H6 | 100.6° | 110.1° |
| CAM | CAO | CAP | 115.4° | 120.1° |
| CAO | CAM | CAS | 122.6° | 120.1° |
| CAM | CAO | H7 | 122.3° | 120.0° |
| CAO | CAP | CAQ | 121.9° | 120.0° |
| CAP | CAO | H7 | 122.3° | 120.0° |
| CAO | CAP | H8 | 119.1° | 120.0° |
| CAM | CAS | CAR | 120.9° | 120.0° |
| CAM | CAS | H10 | 119.6° | 120.0° |
| CAP | CAQ | CAR | 121.8° | 119.8° |
| CAP | CAQ | OAT | 120.2° | 120.1° |
| CAQ | CAP | H8 | 119.0° | 120.0° |
| CAS | CAR | CAQ | 117.4° | 120.0° |
| CAS | CAR | H9 | 121.3° | 120.0° |
| CAR | CAS | H10 | 119.5° | 120.0° |
| CAR | CAQ | OAT | 117.9° | 120.1° |
| CAQ | CAR | H9 | 121.3° | 120.0° |
| CAQ | OAT | CAU | 106.3° | 117.0° |
| CBC | CBB | CAW | 119.6° | 119.7° |
| CBB | CBC | CBD | 120.3° | 121.0° |
| CBC | CBB | H16 | 120.2° | 120.2° |
| CBB | CBC | H17 | 119.8° | 119.5° |
| CBB | CAW | CAV | 123.1° | 121.3° |
| CBB | CAW | CAX | 119.8° | 119.3° |
| CAW | CBB | H16 | 120.2° | 120.2° |
| CBC | CBD | CBE | 120.1° | 121.0° |
| CBD | CBC | H17 | 119.9° | 119.5° |
| CBC | CBD | H18 | 120.0° | 119.5° |
| OAT | CAU | CAV | 101.4° | 109.5° |
| OAT | CAU | H11 | 111.4° | 109.4° |
| OAT | CAU | H12 | 111.4° | 109.5° |
| CAU | CAV | CAW | 123.6° | 120.2° |
| CAU | CAV | CBA | 112.6° | 120.2° |
| CAV | CAU | H11 | 111.5° | 109.4° |
| CAV | CAU | H12 | 111.4° | 109.5° |
| CAV | CAW | CAX | 117.0° | 119.4° |
| CAW | CAV | CBA | 123.8° | 119.6° |
| CAW | CAX | CBE | 120.8° | 119.3° |
| CAW | CAX | CAY | 119.2° | 119.3° |
| CAV | CBA | CAZ | 118.5° | 121.0° |
| CAV | CBA | H15 | 120.8° | 119.5° |
| CBD | CBE | CAX | 119.4° | 119.7° |
| CBE | CBD | H18 | 119.9° | 119.5° |
| CBD | CBE | H19 | 120.3° | 120.2° |
| CBA | CAZ | CAY | 119.2° | 121.0° |
| CBA | CAZ | H14 | 120.4° | 119.5° |
| CAZ | CBA | H15 | 120.7° | 119.5° |
| CBE | CAX | CAY | 120.0° | 121.3° |
| CAX | CBE | H19 | 120.3° | 120.1° |
| CAX | CAY | CAZ | 122.2° | 119.7° |
| CAX | CAY | H13 | 118.9° | 120.2° |
| CAZ | CAY | H13 | 118.9° | 120.2° |
| CAY | CAZ | H14 | 120.4° | 119.5° |
| H11 | CAU | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAL | CAH | CAI | OAN | 1.3° | 0.2° |
| OAL | CAH | CAI | CAG | 177.9° | 179.9° |
| OAL | CAH | CAI | OAJ | 178.7° | 180.0° |
| OAL | CAH | CAG | CAA | 2.3° | 0.0° |
| OAL | CAH | CAG | CAK | 178.8° | 179.8° |
| OAN | CAI | CAH | OAJ | 180.0° | 179.9° |
| OAN | CAI | CAH | CAG | 179.2° | 179.9° |
| OAN | CAI | OAJ | CAK | 179.8° | 179.7° |
| CAI | CAH | CAG | CAA | 179.9° | 180.0° |
| CAI | CAH | CAG | CAK | 0.9° | 0.3° |
| CAH | CAI | OAJ | CAK | 0.2° | 0.2° |
| CAI | CAH | OAL | H20 | 0.6° | 0.1° |
| CAG | CAH | CAI | OAJ | 0.8° | 0.1° |
| CAH | CAG | CAA | CAF | 6.0° | 115.0° |
| CAH | CAG | CAA | CAK | 178.7° | 179.7° |
| CAH | CAG | CAA | CAB | 167.3° | 65.3° |
| CAH | CAG | CAK | OAJ | 0.9° | 0.4° |
| CAH | CAG | CAK | CAM | 144.7° | 119.4° |
| CAH | CAG | CAK | H6 | 104.9° | 119.0° |
| CAG | CAH | OAL | H20 | 178.1° | 180.0° |
| CAI | OAJ | CAK | CAG | 0.4° | 0.4° |
| CAI | OAJ | CAK | CAM | 147.8° | 119.5° |
| CAI | OAJ | CAK | H6 | 105.4° | 118.9° |
| CAE | CAF | CAA | H5 | 180.0° | 179.9° |
| CAF | CAE | CAD | H4 | 180.0° | 179.9° |
| CAE | CAF | CAA | CAG | 178.2° | 179.8° |
| CAE | CAF | CAA | CAB | 4.4° | 0.1° |
| CAF | CAE | CAD | CAC | 1.2° | 0.1° |
| CAF | CAE | CAD | H3 | 178.8° | 180.0° |
| CAA | CAF | CAE | CAD | 3.0° | 0.1° |
| CAF | CAA | CAG | CAB | 173.3° | 179.7° |
| CAF | CAA | CAG | CAK | 175.3° | 64.7° |
| CAF | CAA | CAB | CAC | 4.4° | 0.0° |
| CAF | CAA | CAB | H1 | 175.6° | 180.0° |
| CAA | CAF | CAE | H4 | 177.0° | 180.0° |
| CAE | CAD | CAC | H3 | 180.0° | 179.9° |
| CAE | CAD | CAC | CAB | 1.1° | 0.1° |
| CAE | CAD | CAC | H2 | 178.9° | 179.9° |
| CAD | CAE | CAF | H5 | 177.0° | 180.0° |
| CAA | CAG | CAK | OAJ | 179.8° | 179.8° |
| CAG | CAA | CAB | CAC | 178.0° | 179.7° |
| CAA | CAG | CAK | CAM | 36.4° | 60.8° |
| CAG | CAA | CAB | H1 | 2.0° | 0.3° |
| CAG | CAA | CAF | H5 | 1.8° | 0.3° |
| CAA | CAG | CAK | H6 | 74.0° | 60.8° |
| CAK | CAG | CAA | CAB | 11.4° | 115.0° |
| CAG | CAK | OAJ | CAM | 147.4° | 119.1° |
| CAG | CAK | OAJ | H6 | 105.9° | 119.2° |
| CAG | CAK | CAM | H6 | 110.3° | 121.6° |
| CAG | CAK | CAM | CAO | 152.2° | 85.3° |
| CAG | CAK | CAM | CAS | 30.9° | 95.0° |
| CAA | CAB | CAC | CAD | 2.8° | 0.0° |
| CAA | CAB | CAC | H1 | 180.0° | 180.0° |
| CAA | CAB | CAC | H2 | 177.2° | 180.0° |
| CAB | CAA | CAF | H5 | 175.6° | 180.0° |
| CAD | CAC | CAB | H2 | 180.0° | 180.0° |
| CAD | CAC | CAB | H1 | 177.2° | 180.0° |
| CAC | CAD | CAE | H4 | 178.8° | 180.0° |
| OAJ | CAK | CAM | H6 | 106.5° | 121.8° |
| OAJ | CAK | CAM | CAO | 64.6° | 31.3° |
| OAJ | CAK | CAM | CAS | 112.3° | 148.4° |
| CAB | CAC | CAD | H3 | 178.9° | 179.9° |
| CAK | CAM | CAO | CAS | 176.7° | 179.7° |
| CAK | CAM | CAO | CAP | 177.9° | 180.0° |
| CAK | CAM | CAS | CAR | 179.2° | 179.7° |
| CAK | CAM | CAO | H7 | 2.1° | 0.0° |
| CAK | CAM | CAS | H10 | 0.9° | 0.0° |
| CAM | CAO | CAP | H7 | 180.0° | 180.0° |
| CAM | CAO | CAP | CAQ | 0.3° | 0.0° |
| CAO | CAM | CAS | CAR | 2.3° | 0.5° |
| CAO | CAM | CAK | H6 | 41.9° | 153.1° |
| CAM | CAO | CAP | H8 | 179.7° | 180.0° |
| CAO | CAM | CAS | H10 | 177.7° | 179.8° |
| CAP | CAO | CAM | CAS | 1.2° | 0.3° |
| CAO | CAP | CAQ | H8 | 180.0° | 180.0° |
| CAO | CAP | CAQ | CAR | 0.5° | 0.0° |
| CAO | CAP | CAQ | OAT | 178.6° | 180.0° |
| CAM | CAS | CAR | H10 | 180.0° | 179.7° |
| CAM | CAS | CAR | CAQ | 2.4° | 0.5° |
| CAS | CAM | CAK | H6 | 141.2° | 26.6° |
| CAS | CAM | CAO | H7 | 178.8° | 179.8° |
| CAM | CAS | CAR | H9 | 177.6° | 179.8° |
| CAP | CAQ | CAR | CAS | 1.5° | 0.3° |
| CAP | CAQ | CAR | OAT | 178.2° | 180.0° |
| CAP | CAQ | OAT | CAU | 0.1° | 180.0° |
| CAQ | CAP | CAO | H7 | 179.7° | 180.0° |
| CAP | CAQ | CAR | H9 | 178.5° | 180.0° |
| CAS | CAR | CAQ | H9 | 180.0° | 179.7° |
| CAS | CAR | CAQ | OAT | 179.7° | 179.7° |
| CAR | CAQ | OAT | CAU | 178.1° | 0.0° |
| CAR | CAQ | CAP | H8 | 179.5° | 180.0° |
| CAQ | CAR | CAS | H10 | 177.6° | 179.7° |
| CAQ | OAT | CAU | CAV | 127.8° | 180.0° |
| OAT | CAQ | CAP | H8 | 1.3° | 0.0° |
| OAT | CAQ | CAR | H9 | 0.3° | 0.0° |
| CAQ | OAT | CAU | H11 | 9.1° | 60.0° |
| CAQ | OAT | CAU | H12 | 113.5° | 60.0° |
| CBC | CBB | CAW | H16 | 180.0° | 180.0° |
| CBB | CBC | CBD | H17 | 180.0° | 179.9° |
| CBC | CBB | CAW | CAV | 179.1° | 180.0° |
| CBC | CBB | CAW | CAX | 0.1° | 0.0° |
| CBB | CBC | CBD | CBE | 0.8° | 0.0° |
| CBB | CBC | CBD | H18 | 179.2° | 179.9° |
| CAW | CBB | CBC | CBD | 0.3° | 0.0° |
| CBB | CAW | CAV | CAU | 1.8° | 0.0° |
| CBB | CAW | CAV | CAX | 179.1° | 180.0° |
| CBB | CAW | CAV | CBA | 179.6° | 179.8° |
| CBB | CAW | CAX | CBE | 0.0° | 0.1° |
| CBB | CAW | CAX | CAY | 179.5° | 180.0° |
| CAW | CBB | CBC | H17 | 179.7° | 180.0° |
| CBC | CBD | CBE | H18 | 180.0° | 180.0° |
| CBC | CBD | CBE | CAX | 0.9° | 0.0° |
| CBD | CBC | CBB | H16 | 179.7° | 179.9° |
| CBC | CBD | CBE | H19 | 179.2° | 180.0° |
| OAT | CAU | CAV | H11 | 118.7° | 119.9° |
| OAT | CAU | CAV | H12 | 118.7° | 120.1° |
| OAT | CAU | CAV | CAW | 144.3° | 179.7° |
| OAT | CAU | CAV | CBA | 33.7° | 0.0° |
| OAT | CAU | H11 | H12 | 123.7° | 120.0° |
| CAU | CAV | CAW | CBA | 177.8° | 179.8° |
| CAU | CAV | CAW | CAX | 179.2° | 180.0° |
| CAU | CAV | CBA | CAZ | 179.6° | 179.7° |
| CAV | CAU | H11 | H12 | 123.8° | 120.0° |
| CAU | CAV | CBA | H15 | 0.4° | 0.0° |
| CAW | CAV | CBA | CAZ | 2.4° | 0.5° |
| CAV | CAW | CAX | CBE | 179.1° | 180.0° |
| CAV | CAW | CAX | CAY | 1.4° | 0.1° |
| CAW | CAV | CAU | H11 | 25.6° | 59.8° |
| CAW | CAV | CAU | H12 | 97.0° | 60.2° |
| CAW | CAV | CBA | H15 | 177.6° | 179.7° |
| CAV | CAW | CBB | H16 | 0.9° | 0.0° |
| CAX | CAW | CAV | CBA | 1.4° | 0.2° |
| CAW | CAX | CBE | CBD | 0.5° | 0.1° |
| CAW | CAX | CBE | CAY | 179.5° | 179.9° |
| CAW | CAX | CAY | CAZ | 2.7° | 0.1° |
| CAW | CAX | CAY | H13 | 177.3° | 179.9° |
| CAX | CAW | CBB | H16 | 179.9° | 180.0° |
| CAW | CAX | CBE | H19 | 179.5° | 179.9° |
| CAV | CBA | CAZ | H15 | 180.0° | 179.8° |
| CAV | CBA | CAZ | CAY | 3.4° | 0.5° |
| CBA | CAV | CAU | H11 | 152.4° | 120.0° |
| CBA | CAV | CAU | H12 | 85.0° | 120.0° |
| CAV | CBA | CAZ | H14 | 176.6° | 179.7° |
| CBD | CBE | CAX | H19 | 180.0° | 180.0° |
| CBD | CBE | CAX | CAY | 179.0° | 180.0° |
| CBE | CBD | CBC | H17 | 179.2° | 180.0° |
| CBA | CAZ | CAY | CAX | 3.7° | 0.2° |
| CBA | CAZ | CAY | H14 | 180.0° | 179.8° |
| CBA | CAZ | CAY | H13 | 176.3° | 179.8° |
| CBE | CAX | CAY | CAZ | 177.8° | 179.9° |
| CBE | CAX | CAY | H13 | 2.2° | 0.0° |
| CAX | CBE | CBD | H18 | 179.1° | 180.0° |
| CAX | CAY | CAZ | H13 | 180.0° | 180.0° |
| CAX | CAY | CAZ | H14 | 176.3° | 180.0° |
| CAY | CAX | CBE | H19 | 1.0° | 0.1° |
| CAY | CAZ | CBA | H15 | 176.6° | 179.7° |
| H1 | CAB | CAC | H2 | 2.8° | 0.0° |
| H2 | CAC | CAD | H3 | 1.1° | 0.1° |
| H3 | CAD | CAE | H4 | 1.3° | 0.1° |
| H4 | CAE | CAF | H5 | 3.0° | 0.0° |
| H7 | CAO | CAP | H8 | 0.3° | 0.0° |
| H9 | CAR | CAS | H10 | 2.4° | 0.0° |
| H13 | CAY | CAZ | H14 | 3.7° | 0.0° |
| H14 | CAZ | CBA | H15 | 3.5° | 0.1° |
| H16 | CBB | CBC | H17 | 0.3° | 0.0° |
| H17 | CBC | CBD | H18 | 0.8° | 0.0° |
| H18 | CBD | CBE | H19 | 0.9° | 0.0° |
