90T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAW | CAU | doub | 1.21Å | 1.26Å | |
| CAU | OAV | sing | 1.34Å | 1.25Å | |
| CAU | CAT | sing | 1.51Å | 1.52Å | |
| CAR | CAS | sing | 1.54Å | 1.52Å | |
| CAR | NAQ | sing | 1.47Å | 1.50Å | |
| CAS | CAT | sing | 1.55Å | 1.51Å | |
| CAT | CAX | sing | 1.55Å | 1.51Å | |
| NAQ | CAX | sing | 1.47Å | 1.48Å | |
| NAQ | CAP | sing | 1.35Å | 1.34Å | |
| OAY | CAP | doub | 1.22Å | 1.24Å | |
| CAP | CAO | sing | 1.48Å | 1.41Å | |
| CAZ | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| CAZ | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.40Å | 1.40Å | Aromatic |
| NAJ | CAK | sing | 1.40Å | 1.35Å | |
| NAJ | CAI | sing | 1.38Å | 1.34Å | |
| NAH | CAI | doub | 1.30Å | 1.35Å | Aromatic |
| NAH | CAG | sing | 1.31Å | 1.37Å | Aromatic |
| CAK | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | SBA | sing | 1.71Å | 1.71Å | Aromatic |
| CAG | CAF | doub | 1.37Å | 1.35Å | Aromatic |
| CAN | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | SBA | sing | 1.76Å | 1.72Å | Aromatic |
| CAF | CAE | sing | 1.46Å | 1.37Å | |
| CBD | CBC | sing | 1.51Å | 1.40Å | |
| NAD | CAE | sing | 1.35Å | 1.36Å | |
| NAD | CAC | sing | 1.40Å | 1.39Å | |
| CAE | OBB | doub | 1.22Å | 1.23Å | |
| CBC | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CBC | CBE | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.40Å | Aromatic |
| CBE | CBF | doub | 1.38Å | 1.40Å | Aromatic |
| CAB | CL1 | sing | 1.74Å | 1.73Å | |
| CAB | CBG | doub | 1.38Å | 1.40Å | Aromatic |
| CBF | CBG | sing | 1.38Å | 1.40Å | Aromatic |
| OAV | H1 | sing | 0.97Å | 0.95Å | |
| CAT | H2 | sing | 1.09Å | 1.10Å | |
| CAX | H3 | sing | 1.09Å | 1.10Å | |
| CAX | H4 | sing | 1.09Å | 1.10Å | |
| CAS | H5 | sing | 1.09Å | 1.10Å | |
| CAS | H6 | sing | 1.09Å | 1.10Å | |
| CAR | H7 | sing | 1.09Å | 1.10Å | |
| CAR | H8 | sing | 1.09Å | 1.10Å | |
| CAZ | H9 | sing | 1.08Å | 1.08Å | |
| CAN | H10 | sing | 1.08Å | 1.08Å | |
| CAM | H11 | sing | 1.08Å | 1.08Å | |
| CAL | H12 | sing | 1.08Å | 1.08Å | |
| NAJ | H13 | sing | 0.97Å | 1.00Å | |
| CAG | H14 | sing | 1.08Å | 1.08Å | |
| NAD | H15 | sing | 0.97Å | 1.00Å | |
| CBG | H16 | sing | 1.08Å | 1.08Å | |
| CBF | H17 | sing | 1.08Å | 1.08Å | |
| CBE | H18 | sing | 1.08Å | 1.08Å | |
| CBD | H19 | sing | 1.09Å | 1.10Å | |
| CBD | H20 | sing | 1.09Å | 1.10Å | |
| CBD | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAW | CAU | OAV | 126.6° | 120.0° |
| OAW | CAU | CAT | 118.0° | 120.0° |
| OAV | CAU | CAT | 115.4° | 120.0° |
| CAU | OAV | H1 | 109.5° | 116.9° |
| CAU | CAT | CAS | 110.8° | 111.0° |
| CAU | CAT | CAX | 108.2° | 111.0° |
| CAU | CAT | H2 | 112.1° | 110.8° |
| CAS | CAR | NAQ | 102.1° | 107.3° |
| CAR | CAS | CAT | 100.6° | 102.9° |
| CAR | CAS | H5 | 111.6° | 110.7° |
| CAR | CAS | H6 | 111.6° | 110.9° |
| CAS | CAR | H7 | 111.3° | 109.9° |
| CAS | CAR | H8 | 111.3° | 109.9° |
| CAR | NAQ | CAX | 108.6° | 108.7° |
| CAR | NAQ | CAP | 120.2° | 125.6° |
| NAQ | CAR | H7 | 111.3° | 109.9° |
| NAQ | CAR | H8 | 111.3° | 109.9° |
| CAS | CAT | CAX | 100.8° | 101.6° |
| CAS | CAT | H2 | 112.3° | 111.1° |
| CAT | CAS | H5 | 111.6° | 110.7° |
| CAT | CAS | H6 | 111.6° | 110.7° |
| CAT | CAX | NAQ | 103.0° | 104.8° |
| CAX | CAT | H2 | 112.1° | 111.0° |
| CAT | CAX | H3 | 111.0° | 110.4° |
| CAT | CAX | H4 | 111.1° | 110.3° |
| CAX | NAQ | CAP | 131.2° | 125.6° |
| NAQ | CAX | H3 | 111.1° | 110.4° |
| NAQ | CAX | H4 | 111.0° | 110.5° |
| NAQ | CAP | OAY | 118.7° | 120.0° |
| NAQ | CAP | CAO | 122.3° | 120.0° |
| OAY | CAP | CAO | 119.0° | 120.0° |
| CAP | CAO | CAZ | 120.3° | 120.1° |
| CAP | CAO | CAN | 121.8° | 120.1° |
| CAO | CAZ | CAK | 122.0° | 119.8° |
| CAZ | CAO | CAN | 117.9° | 119.8° |
| CAO | CAZ | H9 | 119.0° | 120.1° |
| CAZ | CAK | NAJ | 114.9° | 120.0° |
| CAZ | CAK | CAL | 119.1° | 120.0° |
| CAK | CAZ | H9 | 119.0° | 120.1° |
| CAO | CAN | CAM | 120.7° | 120.0° |
| CAO | CAN | H10 | 119.6° | 120.1° |
| CAK | NAJ | CAI | 125.3° | 120.0° |
| NAJ | CAK | CAL | 126.0° | 120.0° |
| CAK | NAJ | H13 | 117.3° | 120.0° |
| NAJ | CAI | NAH | 121.0° | 124.7° |
| NAJ | CAI | SBA | 130.4° | 124.8° |
| CAI | NAJ | H13 | 117.4° | 120.0° |
| CAI | NAH | CAG | 114.7° | 117.3° |
| NAH | CAI | SBA | 108.6° | 110.5° |
| NAH | CAG | CAF | 114.8° | 114.0° |
| NAH | CAG | H14 | 122.6° | 123.0° |
| CAK | CAL | CAM | 119.8° | 120.2° |
| CAK | CAL | H12 | 120.0° | 119.9° |
| CAI | SBA | CAF | 93.5° | 90.4° |
| CAG | CAF | SBA | 108.4° | 107.8° |
| CAG | CAF | CAE | 130.3° | 126.1° |
| CAF | CAG | H14 | 122.6° | 123.0° |
| CAN | CAM | CAL | 120.5° | 120.2° |
| CAM | CAN | H10 | 119.6° | 120.0° |
| CAN | CAM | H11 | 119.8° | 119.9° |
| CAL | CAM | H11 | 119.8° | 119.9° |
| CAM | CAL | H12 | 120.1° | 119.9° |
| SBA | CAF | CAE | 121.3° | 126.1° |
| CAF | CAE | NAD | 120.1° | 120.0° |
| CAF | CAE | OBB | 117.8° | 119.9° |
| CBD | CBC | CAC | 119.7° | 120.0° |
| CBD | CBC | CBE | 119.1° | 120.1° |
| CBC | CBD | H19 | 109.5° | 109.5° |
| CBC | CBD | H20 | 109.5° | 109.4° |
| CBC | CBD | H21 | 109.5° | 109.5° |
| CAE | NAD | CAC | 120.9° | 120.0° |
| NAD | CAE | OBB | 122.0° | 120.0° |
| CAE | NAD | H15 | 119.5° | 120.0° |
| NAD | CAC | CBC | 120.0° | 120.1° |
| NAD | CAC | CAB | 120.3° | 120.0° |
| CAC | NAD | H15 | 119.5° | 120.0° |
| CAC | CBC | CBE | 121.2° | 120.0° |
| CBC | CAC | CAB | 119.6° | 119.8° |
| CBC | CBE | CBF | 118.8° | 120.1° |
| CBC | CBE | H18 | 120.6° | 119.9° |
| CAC | CAB | CL1 | 120.9° | 120.1° |
| CAC | CAB | CBG | 119.7° | 119.9° |
| CBE | CBF | CBG | 120.3° | 120.1° |
| CBE | CBF | H17 | 119.8° | 120.0° |
| CBF | CBE | H18 | 120.6° | 120.0° |
| CL1 | CAB | CBG | 119.4° | 120.0° |
| CAB | CBG | CBF | 120.4° | 120.0° |
| CAB | CBG | H16 | 119.8° | 120.0° |
| CBF | CBG | H16 | 119.8° | 120.0° |
| CBG | CBF | H17 | 119.8° | 119.9° |
| H3 | CAX | H4 | 109.5° | 110.4° |
| H5 | CAS | H6 | 109.5° | 110.7° |
| H7 | CAR | H8 | 109.4° | 110.0° |
| H19 | CBD | H20 | 109.5° | 109.4° |
| H19 | CBD | H21 | 109.5° | 109.5° |
| H20 | CBD | H21 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAW | CAU | OAV | CAT | 179.5° | 180.0° |
| OAW | CAU | CAT | CAS | 32.7° | 6.4° |
| OAW | CAU | CAT | CAX | 142.2° | 118.5° |
| OAW | CAU | OAV | H1 | 0.0° | 0.0° |
| OAW | CAU | CAT | H2 | 93.6° | 117.6° |
| OAV | CAU | CAT | CAS | 147.8° | 173.6° |
| OAV | CAU | CAT | CAX | 38.2° | 61.4° |
| OAV | CAU | CAT | H2 | 85.9° | 62.5° |
| CAU | CAT | CAS | CAR | 64.6° | 153.6° |
| CAU | CAT | CAS | CAX | 114.3° | 118.0° |
| CAU | CAT | CAS | H2 | 126.2° | 123.8° |
| CAU | CAT | CAX | H2 | 124.1° | 123.8° |
| CAU | CAT | CAX | NAQ | 77.3° | 155.1° |
| CAT | CAU | OAV | H1 | 179.5° | 180.0° |
| CAU | CAT | CAX | H3 | 41.7° | 36.2° |
| CAU | CAT | CAX | H4 | 163.8° | 86.0° |
| CAU | CAT | CAS | H5 | 54.0° | 88.1° |
| CAU | CAT | CAS | H6 | 176.9° | 35.0° |
| CAS | CAR | NAQ | H7 | 118.8° | 119.5° |
| CAS | CAR | NAQ | H8 | 118.8° | 119.4° |
| CAR | CAS | CAT | H5 | 118.5° | 118.3° |
| CAR | CAS | CAT | H6 | 118.5° | 118.6° |
| CAR | CAS | CAT | CAX | 49.7° | 35.5° |
| CAS | CAR | NAQ | CAX | 17.0° | 1.0° |
| CAS | CAR | NAQ | CAP | 161.0° | 179.0° |
| CAR | CAS | CAT | H2 | 169.2° | 82.6° |
| CAR | CAS | H5 | H6 | 124.2° | 123.4° |
| CAS | CAR | H7 | H8 | 123.4° | 121.1° |
| NAQ | CAR | CAS | CAT | 40.9° | 22.2° |
| CAR | NAQ | CAX | CAT | 13.5° | 24.1° |
| CAR | NAQ | CAX | CAP | 177.7° | 180.0° |
| CAR | NAQ | CAP | OAY | 0.2° | 174.8° |
| CAR | NAQ | CAP | CAO | 180.0° | 5.1° |
| CAR | NAQ | CAX | H3 | 132.5° | 94.7° |
| CAR | NAQ | CAX | H4 | 105.5° | 143.0° |
| NAQ | CAR | CAS | H5 | 159.5° | 140.5° |
| NAQ | CAR | CAS | H6 | 77.6° | 96.2° |
| NAQ | CAR | H7 | H8 | 123.4° | 121.1° |
| CAS | CAT | CAX | H2 | 119.6° | 118.2° |
| CAS | CAT | CAX | NAQ | 39.0° | 37.0° |
| CAS | CAT | CAX | H3 | 157.9° | 81.8° |
| CAS | CAT | CAX | H4 | 80.0° | 156.0° |
| CAT | CAS | H5 | H6 | 124.1° | 123.1° |
| CAT | CAS | CAR | H7 | 159.8° | 97.2° |
| CAT | CAS | CAR | H8 | 77.9° | 141.6° |
| CAT | CAX | NAQ | H3 | 118.9° | 118.8° |
| CAT | CAX | NAQ | H4 | 119.0° | 118.8° |
| CAT | CAX | NAQ | CAP | 168.8° | 155.9° |
| CAT | CAX | H3 | H4 | 123.0° | 122.2° |
| CAX | CAT | CAS | H5 | 168.3° | 153.9° |
| CAX | CAT | CAS | H6 | 68.8° | 83.0° |
| CAX | NAQ | CAP | OAY | 177.6° | 5.2° |
| CAX | NAQ | CAP | CAO | 2.5° | 174.9° |
| NAQ | CAX | CAT | H2 | 158.6° | 81.1° |
| NAQ | CAX | H3 | H4 | 123.0° | 122.4° |
| CAX | NAQ | CAR | H7 | 135.8° | 120.5° |
| CAX | NAQ | CAR | H8 | 101.8° | 118.3° |
| NAQ | CAP | OAY | CAO | 179.8° | 180.0° |
| NAQ | CAP | CAO | CAZ | 104.8° | 7.7° |
| NAQ | CAP | CAO | CAN | 77.9° | 172.7° |
| CAP | NAQ | CAX | H3 | 49.8° | 85.3° |
| CAP | NAQ | CAX | H4 | 72.2° | 37.0° |
| CAP | NAQ | CAR | H7 | 42.2° | 59.5° |
| CAP | NAQ | CAR | H8 | 80.2° | 61.6° |
| OAY | CAP | CAO | CAZ | 75.0° | 172.3° |
| OAY | CAP | CAO | CAN | 102.2° | 7.4° |
| CAP | CAO | CAZ | CAN | 177.3° | 179.7° |
| CAP | CAO | CAZ | CAK | 177.8° | 180.0° |
| CAP | CAO | CAN | CAM | 177.7° | 180.0° |
| CAP | CAO | CAZ | H9 | 2.2° | 0.1° |
| CAP | CAO | CAN | H10 | 2.3° | 0.1° |
| CAO | CAZ | CAK | H9 | 180.0° | 179.9° |
| CAO | CAZ | CAK | NAJ | 178.3° | 180.0° |
| CAO | CAZ | CAK | CAL | 1.0° | 0.1° |
| CAZ | CAO | CAN | CAM | 0.4° | 0.3° |
| CAZ | CAO | CAN | H10 | 179.6° | 179.8° |
| CAK | CAZ | CAO | CAN | 0.4° | 0.3° |
| CAZ | CAK | NAJ | CAL | 177.0° | 179.9° |
| CAZ | CAK | NAJ | CAI | 167.0° | 154.5° |
| CAZ | CAK | CAL | CAM | 1.6° | 0.1° |
| CAZ | CAK | CAL | H12 | 178.4° | 179.9° |
| CAZ | CAK | NAJ | H13 | 13.0° | 25.5° |
| CAO | CAN | CAM | H10 | 180.0° | 179.9° |
| CAO | CAN | CAM | CAL | 1.0° | 0.1° |
| CAN | CAO | CAZ | H9 | 179.6° | 179.7° |
| CAO | CAN | CAM | H11 | 179.0° | 180.0° |
| CAK | NAJ | CAI | H13 | 180.0° | 180.0° |
| CAK | NAJ | CAI | NAH | 175.2° | 5.9° |
| CAK | NAJ | CAI | SBA | 5.1° | 174.5° |
| NAJ | CAK | CAL | CAM | 178.5° | 179.7° |
| NAJ | CAK | CAZ | H9 | 1.7° | 0.1° |
| NAJ | CAK | CAL | H12 | 1.5° | 0.1° |
| NAJ | CAI | NAH | SBA | 179.8° | 179.7° |
| NAJ | CAI | NAH | CAG | 179.2° | 180.0° |
| CAI | NAJ | CAK | CAL | 16.0° | 25.4° |
| NAJ | CAI | SBA | CAF | 179.4° | 179.9° |
| CAI | NAH | CAG | CAF | 0.6° | 0.2° |
| NAH | CAI | SBA | CAF | 0.3° | 0.2° |
| NAH | CAI | NAJ | H13 | 4.8° | 174.1° |
| CAI | NAH | CAG | H14 | 179.4° | 180.0° |
| CAG | NAH | CAI | SBA | 0.6° | 0.3° |
| NAH | CAG | CAF | H14 | 180.0° | 179.8° |
| NAH | CAG | CAF | SBA | 0.3° | 0.0° |
| NAH | CAG | CAF | CAE | 179.7° | 180.0° |
| CAK | CAL | CAM | CAN | 1.6° | 0.2° |
| CAK | CAL | CAM | H12 | 180.0° | 179.8° |
| CAL | CAK | CAZ | H9 | 179.0° | 180.0° |
| CAK | CAL | CAM | H11 | 178.4° | 179.8° |
| CAL | CAK | NAJ | H13 | 164.0° | 154.6° |
| CAI | SBA | CAF | CAG | 0.0° | 0.2° |
| CAI | SBA | CAF | CAE | 179.5° | 179.9° |
| SBA | CAI | NAJ | H13 | 174.9° | 5.5° |
| CAG | CAF | SBA | CAE | 179.5° | 180.0° |
| CAG | CAF | CAE | NAD | 10.8° | 180.0° |
| CAG | CAF | CAE | OBB | 171.6° | 0.1° |
| CAN | CAM | CAL | H11 | 180.0° | 180.0° |
| CAN | CAM | CAL | H12 | 178.4° | 180.0° |
| CAL | CAM | CAN | H10 | 179.0° | 180.0° |
| SBA | CAF | CAE | NAD | 168.6° | 0.0° |
| SBA | CAF | CAE | OBB | 9.1° | 179.9° |
| SBA | CAF | CAG | H14 | 179.7° | 179.8° |
| CAF | CAE | NAD | OBB | 177.6° | 179.9° |
| CAF | CAE | NAD | CAC | 179.9° | 174.5° |
| CAE | CAF | CAG | H14 | 0.3° | 0.2° |
| CAF | CAE | NAD | H15 | 0.1° | 5.5° |
| CBD | CBC | CAC | NAD | 1.6° | 0.1° |
| CBD | CBC | CAC | CBE | 179.9° | 179.7° |
| CBD | CBC | CAC | CAB | 178.8° | 179.7° |
| CBD | CBC | CBE | CBF | 179.5° | 179.7° |
| CBD | CBC | CBE | H18 | 0.5° | 0.0° |
| CBC | CBD | H19 | H20 | 120.0° | 120.0° |
| CBC | CBD | H19 | H21 | 120.0° | 120.1° |
| CBC | CBD | H20 | H21 | 120.0° | 120.0° |
| CAE | NAD | CAC | H15 | 180.0° | 180.0° |
| CAE | NAD | CAC | CBC | 103.9° | 130.0° |
| CAE | NAD | CAC | CAB | 78.9° | 49.7° |
| CAC | NAD | CAE | OBB | 2.3° | 5.6° |
| NAD | CAC | CBC | CAB | 177.2° | 179.7° |
| NAD | CAC | CBC | CBE | 178.2° | 179.7° |
| NAD | CAC | CAB | CL1 | 2.0° | 0.0° |
| NAD | CAC | CAB | CBG | 178.4° | 180.0° |
| OBB | CAE | NAD | H15 | 177.7° | 174.4° |
| CAC | CBC | CBE | CBF | 0.4° | 0.6° |
| CBC | CAC | CAB | CL1 | 179.1° | 179.7° |
| CBC | CAC | CAB | CBG | 1.2° | 0.3° |
| CBC | CAC | NAD | H15 | 76.1° | 50.0° |
| CAC | CBC | CBE | H18 | 179.7° | 179.6° |
| CAC | CBC | CBD | H19 | 90.0° | 90.0° |
| CAC | CBC | CBD | H20 | 149.9° | 150.0° |
| CAC | CBC | CBD | H21 | 30.0° | 30.1° |
| CBE | CBC | CAC | CAB | 1.0° | 0.6° |
| CBC | CBE | CBF | H18 | 180.0° | 179.7° |
| CBC | CBE | CBF | CBG | 0.1° | 0.3° |
| CBC | CBE | CBF | H17 | 179.9° | 179.7° |
| CBE | CBC | CBD | H19 | 90.1° | 89.7° |
| CBE | CBC | CBD | H20 | 29.9° | 30.3° |
| CBE | CBC | CBD | H21 | 149.9° | 150.2° |
| CAC | CAB | CL1 | CBG | 179.6° | 180.0° |
| CAC | CAB | CBG | CBF | 0.8° | 0.1° |
| CAB | CAC | NAD | H15 | 101.1° | 130.4° |
| CAC | CAB | CBG | H16 | 179.3° | 180.0° |
| CBE | CBF | CBG | CAB | 0.1° | 0.1° |
| CBE | CBF | CBG | H17 | 180.0° | 179.9° |
| CBE | CBF | CBG | H16 | 179.9° | 180.0° |
| CL1 | CAB | CBG | CBF | 179.6° | 180.0° |
| CL1 | CAB | CBG | H16 | 0.4° | 0.0° |
| CAB | CBG | CBF | H16 | 180.0° | 180.0° |
| CAB | CBG | CBF | H17 | 179.9° | 180.0° |
| CBG | CBF | CBE | H18 | 179.9° | 179.9° |
| H2 | CAT | CAX | H3 | 82.4° | 160.0° |
| H2 | CAT | CAX | H4 | 39.7° | 37.8° |
| H2 | CAT | CAS | H5 | 72.2° | 35.7° |
| H2 | CAT | CAS | H6 | 50.7° | 158.8° |
| H5 | CAS | CAR | H7 | 81.7° | 21.1° |
| H5 | CAS | CAR | H8 | 40.6° | 100.1° |
| H6 | CAS | CAR | H7 | 41.3° | 144.3° |
| H6 | CAS | CAR | H8 | 163.6° | 23.2° |
| H10 | CAN | CAM | H11 | 1.0° | 0.0° |
| H11 | CAM | CAL | H12 | 1.6° | 0.0° |
| H16 | CBG | CBF | H17 | 0.1° | 0.0° |
| H17 | CBF | CBE | H18 | 0.1° | 0.0° |
| H19 | CBD | H20 | H21 | 120.0° | 120.0° |
