75T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAT | CAQ | sing | 1.43Å | 1.46Å | |
| OAT | CAU | sing | 1.36Å | 1.37Å | |
| CAQ | CAZ | sing | 1.51Å | 1.39Å | |
| CAU | CAH | doub | 1.39Å | 1.40Å | Aromatic |
| CAU | CAI | sing | 1.39Å | 1.38Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| CAA | CAY | sing | 1.51Å | 1.52Å | |
| CAZ | CAY | doub | 1.38Å | 1.41Å | Aromatic |
| CAZ | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAY | NAR | sing | 1.32Å | 1.35Å | Aromatic |
| CAG | CAB | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.48Å | 1.39Å | |
| CAE | CAW | doub | 1.39Å | 1.41Å | Aromatic |
| CAE | CAC | sing | 1.38Å | 1.38Å | Aromatic |
| NAR | CAD | doub | 1.32Å | 1.34Å | Aromatic |
| CAW | CAL | sing | 1.39Å | 1.37Å | Aromatic |
| CAC | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAD | sing | 1.38Å | 1.37Å | Aromatic |
| CAL | CAX | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAX | CBA | sing | 1.51Å | 1.52Å | |
| CBA | CAP | sing | 1.53Å | 1.52Å | |
| CBA | CAO | sing | 1.53Å | 1.51Å | |
| CAP | CAN | sing | 1.53Å | 1.53Å | |
| CAO | CAM | sing | 1.53Å | 1.54Å | |
| CAN | NAS | sing | 1.47Å | 1.46Å | |
| CAM | NAS | sing | 1.47Å | 1.49Å | |
| CAO | H1 | sing | 1.09Å | 1.10Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| NAS | H5 | sing | 1.01Å | 1.00Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CBA | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.08Å | 1.08Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAC | H14 | sing | 1.08Å | 1.08Å | |
| CAE | H15 | sing | 1.08Å | 1.08Å | |
| CAK | H16 | sing | 1.08Å | 1.08Å | |
| CAI | H17 | sing | 1.08Å | 1.08Å | |
| CAJ | H18 | sing | 1.08Å | 1.08Å | |
| CAH | H19 | sing | 1.08Å | 1.08Å | |
| CAQ | H20 | sing | 1.09Å | 1.10Å | |
| CAQ | H21 | sing | 1.09Å | 1.10Å | |
| CAG | H22 | sing | 1.08Å | 1.08Å | |
| CAB | H23 | sing | 1.08Å | 1.08Å | |
| CAD | H24 | sing | 1.08Å | 1.08Å | |
| CAA | H25 | sing | 1.09Å | 1.10Å | |
| CAA | H26 | sing | 1.09Å | 1.10Å | |
| CAA | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | OAT | CAU | 113.6° | 117.0° |
| OAT | CAQ | CAZ | 119.8° | 109.4° |
| OAT | CAQ | H20 | 106.8° | 109.4° |
| OAT | CAQ | H21 | 106.8° | 109.5° |
| OAT | CAU | CAH | 118.9° | 119.9° |
| OAT | CAU | CAI | 122.1° | 120.0° |
| CAQ | CAZ | CAY | 121.7° | 120.4° |
| CAQ | CAZ | CAG | 118.3° | 120.5° |
| CAZ | CAQ | H20 | 106.8° | 109.5° |
| CAZ | CAQ | H21 | 106.8° | 109.5° |
| CAH | CAU | CAI | 119.0° | 120.1° |
| CAU | CAH | CAJ | 120.0° | 120.1° |
| CAU | CAH | H19 | 120.0° | 119.9° |
| CAU | CAI | CAK | 121.6° | 120.1° |
| CAU | CAI | H17 | 119.2° | 119.9° |
| CAH | CAJ | CAV | 120.7° | 120.0° |
| CAH | CAJ | H18 | 119.6° | 120.1° |
| CAJ | CAH | H19 | 120.0° | 120.0° |
| CAA | CAY | CAZ | 122.2° | 119.6° |
| CAA | CAY | NAR | 117.6° | 119.6° |
| CAY | CAA | H25 | 109.5° | 109.4° |
| CAY | CAA | H26 | 109.5° | 109.4° |
| CAY | CAA | H27 | 109.5° | 109.5° |
| CAY | CAZ | CAG | 120.0° | 119.1° |
| CAZ | CAY | NAR | 120.2° | 120.8° |
| CAZ | CAG | CAB | 117.7° | 118.5° |
| CAZ | CAG | H22 | 121.2° | 120.8° |
| CAI | CAK | CAV | 118.5° | 120.0° |
| CAI | CAK | H16 | 120.8° | 120.0° |
| CAK | CAI | H17 | 119.2° | 120.0° |
| CAJ | CAV | CAK | 120.2° | 119.8° |
| CAJ | CAV | CAW | 117.0° | 120.1° |
| CAV | CAJ | H18 | 119.7° | 120.0° |
| CAY | NAR | CAD | 120.7° | 121.7° |
| CAG | CAB | CAD | 120.0° | 119.1° |
| CAB | CAG | H22 | 121.1° | 120.7° |
| CAG | CAB | H23 | 120.0° | 120.5° |
| CAK | CAV | CAW | 122.6° | 120.1° |
| CAV | CAK | H16 | 120.8° | 120.0° |
| CAV | CAW | CAE | 118.7° | 120.1° |
| CAV | CAW | CAL | 120.9° | 120.1° |
| CAW | CAE | CAC | 120.1° | 119.9° |
| CAE | CAW | CAL | 120.3° | 119.7° |
| CAW | CAE | H15 | 119.9° | 120.0° |
| CAE | CAC | CAF | 120.0° | 120.1° |
| CAE | CAC | H14 | 120.0° | 119.9° |
| CAC | CAE | H15 | 119.9° | 120.1° |
| NAR | CAD | CAB | 121.4° | 120.8° |
| NAR | CAD | H24 | 119.3° | 119.6° |
| CAW | CAL | CAX | 119.1° | 119.9° |
| CAW | CAL | H12 | 120.5° | 120.0° |
| CAC | CAF | CAX | 119.3° | 120.2° |
| CAC | CAF | H13 | 120.4° | 119.9° |
| CAF | CAC | H14 | 120.0° | 119.9° |
| CAD | CAB | H23 | 119.9° | 120.4° |
| CAB | CAD | H24 | 119.3° | 119.6° |
| CAL | CAX | CAF | 121.0° | 120.1° |
| CAL | CAX | CBA | 119.1° | 120.0° |
| CAX | CAL | H12 | 120.5° | 120.1° |
| CAF | CAX | CBA | 119.9° | 119.9° |
| CAX | CAF | H13 | 120.3° | 119.9° |
| CAX | CBA | CAP | 110.6° | 109.6° |
| CAX | CBA | CAO | 108.8° | 109.5° |
| CAX | CBA | H11 | 109.4° | 109.5° |
| CAP | CBA | CAO | 108.8° | 109.2° |
| CBA | CAP | CAN | 107.8° | 109.3° |
| CBA | CAP | H9 | 109.9° | 109.5° |
| CBA | CAP | H10 | 109.9° | 109.5° |
| CAP | CBA | H11 | 109.5° | 109.5° |
| CBA | CAO | CAM | 108.2° | 109.2° |
| CBA | CAO | H1 | 109.7° | 109.6° |
| CBA | CAO | H2 | 109.8° | 109.5° |
| CAO | CBA | H11 | 109.6° | 109.5° |
| CAP | CAN | NAS | 109.1° | 109.5° |
| CAP | CAN | H7 | 109.6° | 109.5° |
| CAP | CAN | H8 | 109.6° | 109.4° |
| CAN | CAP | H9 | 109.9° | 109.5° |
| CAN | CAP | H10 | 109.9° | 109.5° |
| CAO | CAM | NAS | 111.1° | 109.5° |
| CAM | CAO | H1 | 109.8° | 109.5° |
| CAM | CAO | H2 | 109.8° | 109.5° |
| CAO | CAM | H3 | 109.1° | 109.4° |
| CAO | CAM | H4 | 109.1° | 109.5° |
| CAN | NAS | CAM | 110.2° | 111.2° |
| CAN | NAS | H5 | 109.3° | 111.0° |
| NAS | CAN | H7 | 109.6° | 109.5° |
| NAS | CAN | H8 | 109.5° | 109.5° |
| NAS | CAM | H3 | 109.1° | 109.4° |
| NAS | CAM | H4 | 109.1° | 109.5° |
| CAM | NAS | H5 | 109.3° | 111.0° |
| H1 | CAO | H2 | 109.5° | 109.5° |
| H3 | CAM | H4 | 109.5° | 109.5° |
| H7 | CAN | H8 | 109.5° | 109.4° |
| H9 | CAP | H10 | 109.5° | 109.5° |
| H20 | CAQ | H21 | 109.5° | 109.5° |
| H25 | CAA | H26 | 109.5° | 109.5° |
| H25 | CAA | H27 | 109.4° | 109.4° |
| H26 | CAA | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAT | CAQ | CAZ | H20 | 121.5° | 119.9° |
| OAT | CAQ | CAZ | H21 | 121.4° | 120.0° |
| CAQ | OAT | CAU | CAH | 153.4° | 180.0° |
| CAQ | OAT | CAU | CAI | 28.8° | 0.2° |
| OAT | CAQ | CAZ | CAY | 51.6° | 180.0° |
| OAT | CAQ | CAZ | CAG | 126.7° | 0.2° |
| OAT | CAQ | H20 | H21 | 115.4° | 120.0° |
| CAU | OAT | CAQ | CAZ | 53.7° | 180.0° |
| OAT | CAU | CAH | CAI | 177.9° | 179.8° |
| OAT | CAU | CAH | CAJ | 178.8° | 180.0° |
| OAT | CAU | CAI | CAK | 179.9° | 180.0° |
| OAT | CAU | CAI | H17 | 0.1° | 0.1° |
| OAT | CAU | CAH | H19 | 1.2° | 0.1° |
| CAU | OAT | CAQ | H20 | 67.7° | 60.1° |
| CAU | OAT | CAQ | H21 | 175.1° | 60.0° |
| CAQ | CAZ | CAY | CAA | 2.8° | 0.1° |
| CAQ | CAZ | CAY | CAG | 178.3° | 179.8° |
| CAQ | CAZ | CAY | NAR | 179.0° | 179.6° |
| CAQ | CAZ | CAG | CAB | 179.9° | 180.0° |
| CAZ | CAQ | H20 | H21 | 115.3° | 120.0° |
| CAQ | CAZ | CAG | H22 | 0.1° | 0.1° |
| CAU | CAH | CAJ | H19 | 180.0° | 180.0° |
| CAH | CAU | CAI | CAK | 2.2° | 0.2° |
| CAU | CAH | CAJ | CAV | 1.7° | 0.0° |
| CAH | CAU | CAI | H17 | 177.8° | 179.7° |
| CAU | CAH | CAJ | H18 | 178.3° | 180.0° |
| CAI | CAU | CAH | CAJ | 0.9° | 0.2° |
| CAU | CAI | CAK | H17 | 180.0° | 180.0° |
| CAU | CAI | CAK | CAV | 1.0° | 0.0° |
| CAU | CAI | CAK | H16 | 179.1° | 180.0° |
| CAI | CAU | CAH | H19 | 179.1° | 179.7° |
| CAH | CAJ | CAV | H18 | 180.0° | 180.0° |
| CAH | CAJ | CAV | CAK | 3.1° | 0.2° |
| CAH | CAJ | CAV | CAW | 178.6° | 180.0° |
| CAA | CAY | CAZ | NAR | 178.2° | 179.7° |
| CAA | CAY | CAZ | CAG | 178.9° | 179.7° |
| CAA | CAY | NAR | CAD | 178.1° | 179.6° |
| CAY | CAA | H25 | H26 | 120.0° | 120.0° |
| CAY | CAA | H25 | H27 | 120.0° | 120.0° |
| CAY | CAA | H26 | H27 | 120.0° | 120.0° |
| CAY | CAZ | CAG | CAB | 1.6° | 0.2° |
| CAZ | CAY | NAR | CAD | 0.2° | 0.6° |
| CAY | CAZ | CAQ | H20 | 173.1° | 60.1° |
| CAY | CAZ | CAQ | H21 | 69.8° | 60.0° |
| CAY | CAZ | CAG | H22 | 178.4° | 179.7° |
| CAZ | CAY | CAA | H25 | 178.3° | 90.0° |
| CAZ | CAY | CAA | H26 | 58.3° | 150.0° |
| CAZ | CAY | CAA | H27 | 61.7° | 29.9° |
| CAG | CAZ | CAY | NAR | 0.7° | 0.5° |
| CAZ | CAG | CAB | H22 | 180.0° | 180.0° |
| CAZ | CAG | CAB | CAD | 1.6° | 0.0° |
| CAG | CAZ | CAQ | H20 | 5.3° | 119.7° |
| CAG | CAZ | CAQ | H21 | 111.8° | 120.2° |
| CAZ | CAG | CAB | H23 | 178.4° | 180.0° |
| CAI | CAK | CAV | CAJ | 1.7° | 0.2° |
| CAI | CAK | CAV | H16 | 180.0° | 180.0° |
| CAI | CAK | CAV | CAW | 176.9° | 180.0° |
| CAJ | CAV | CAK | CAW | 175.2° | 179.8° |
| CAJ | CAV | CAW | CAE | 32.9° | 179.7° |
| CAJ | CAV | CAW | CAL | 151.1° | 0.0° |
| CAJ | CAV | CAK | H16 | 178.3° | 179.8° |
| CAV | CAJ | CAH | H19 | 178.3° | 180.0° |
| CAY | NAR | CAD | CAB | 0.2° | 0.4° |
| CAY | NAR | CAD | H24 | 179.8° | 179.7° |
| NAR | CAY | CAA | H25 | 0.0° | 89.7° |
| NAR | CAY | CAA | H26 | 120.0° | 30.3° |
| NAR | CAY | CAA | H27 | 120.0° | 150.3° |
| CAG | CAB | CAD | NAR | 0.7° | 0.1° |
| CAG | CAB | CAD | H23 | 180.0° | 180.0° |
| CAG | CAB | CAD | H24 | 179.3° | 180.0° |
| CAK | CAV | CAW | CAE | 142.5° | 0.0° |
| CAK | CAV | CAW | CAL | 33.5° | 179.7° |
| CAV | CAK | CAI | H17 | 179.1° | 180.0° |
| CAK | CAV | CAJ | H18 | 176.9° | 179.7° |
| CAV | CAW | CAE | CAL | 176.0° | 179.7° |
| CAV | CAW | CAE | CAC | 179.2° | 180.0° |
| CAV | CAW | CAL | CAX | 179.9° | 179.7° |
| CAV | CAW | CAL | H12 | 0.1° | 0.3° |
| CAV | CAW | CAE | H15 | 0.8° | 0.3° |
| CAW | CAV | CAK | H16 | 3.0° | 0.0° |
| CAW | CAV | CAJ | H18 | 1.4° | 0.0° |
| CAW | CAE | CAC | H15 | 180.0° | 179.7° |
| CAW | CAE | CAC | CAF | 2.0° | 0.2° |
| CAE | CAW | CAL | CAX | 4.2° | 0.0° |
| CAE | CAW | CAL | H12 | 175.8° | 180.0° |
| CAW | CAE | CAC | H14 | 178.0° | 179.7° |
| CAC | CAE | CAW | CAL | 4.8° | 0.3° |
| CAE | CAC | CAF | H14 | 180.0° | 179.9° |
| CAE | CAC | CAF | CAX | 1.2° | 0.0° |
| CAE | CAC | CAF | H13 | 178.8° | 180.0° |
| NAR | CAD | CAB | H24 | 180.0° | 179.9° |
| NAR | CAD | CAB | H23 | 179.3° | 180.0° |
| CAW | CAL | CAX | H12 | 180.0° | 180.0° |
| CAW | CAL | CAX | CAF | 1.0° | 0.2° |
| CAW | CAL | CAX | CBA | 177.7° | 180.0° |
| CAL | CAW | CAE | H15 | 175.2° | 180.0° |
| CAC | CAF | CAX | CAL | 1.7° | 0.3° |
| CAC | CAF | CAX | H13 | 180.0° | 180.0° |
| CAC | CAF | CAX | CBA | 179.6° | 179.9° |
| CAF | CAC | CAE | H15 | 178.0° | 180.0° |
| CAD | CAB | CAG | H22 | 178.4° | 180.0° |
| CAL | CAX | CAF | CBA | 178.7° | 179.8° |
| CAL | CAX | CBA | CAP | 6.0° | 120.0° |
| CAL | CAX | CBA | CAO | 113.5° | 120.3° |
| CAL | CAX | CBA | H11 | 126.8° | 0.2° |
| CAL | CAX | CAF | H13 | 178.3° | 179.8° |
| CAF | CAX | CBA | CAP | 175.2° | 60.3° |
| CAF | CAX | CBA | CAO | 65.3° | 59.4° |
| CAF | CAX | CBA | H11 | 54.5° | 179.5° |
| CAF | CAX | CAL | H12 | 179.0° | 179.7° |
| CAX | CAF | CAC | H14 | 178.9° | 180.0° |
| CAX | CBA | CAP | CAO | 119.5° | 119.9° |
| CAX | CBA | CAP | H11 | 120.7° | 120.2° |
| CAX | CBA | CAO | H11 | 119.6° | 120.1° |
| CAX | CBA | CAP | CAN | 177.4° | 177.6° |
| CAX | CBA | CAO | CAM | 179.6° | 177.6° |
| CAX | CBA | CAO | H1 | 60.6° | 62.5° |
| CAX | CBA | CAO | H2 | 59.8° | 57.7° |
| CAX | CBA | CAP | H9 | 57.6° | 57.6° |
| CAX | CBA | CAP | H10 | 62.9° | 62.5° |
| CBA | CAX | CAL | H12 | 2.2° | 0.0° |
| CBA | CAX | CAF | H13 | 0.4° | 0.0° |
| CAP | CBA | CAO | H11 | 119.7° | 119.9° |
| CBA | CAP | CAN | H9 | 119.7° | 120.0° |
| CBA | CAP | CAN | H10 | 119.7° | 120.0° |
| CAP | CBA | CAO | CAM | 59.7° | 57.6° |
| CBA | CAP | CAN | NAS | 63.4° | 59.2° |
| CAP | CBA | CAO | H1 | 60.1° | 177.6° |
| CAP | CBA | CAO | H2 | 179.6° | 62.3° |
| CBA | CAP | CAN | H7 | 56.6° | 179.3° |
| CBA | CAP | CAN | H8 | 176.7° | 60.8° |
| CBA | CAP | H9 | H10 | 120.8° | 120.1° |
| CAO | CBA | CAP | CAN | 63.2° | 57.6° |
| CBA | CAO | CAM | H1 | 119.8° | 120.0° |
| CBA | CAO | CAM | H2 | 119.8° | 120.0° |
| CBA | CAO | CAM | NAS | 57.4° | 59.2° |
| CBA | CAO | H1 | H2 | 120.5° | 120.2° |
| CBA | CAO | CAM | H3 | 177.6° | 179.1° |
| CBA | CAO | CAM | H4 | 62.9° | 60.9° |
| CAO | CBA | CAP | H9 | 177.1° | 62.3° |
| CAO | CBA | CAP | H10 | 56.6° | 177.6° |
| CAP | CAN | NAS | H7 | 119.9° | 120.1° |
| CAP | CAN | NAS | H8 | 119.9° | 120.0° |
| CAP | CAN | NAS | CAM | 61.1° | 61.7° |
| CAP | CAN | NAS | H5 | 178.8° | 174.2° |
| CAP | CAN | H7 | H8 | 120.2° | 119.9° |
| CAN | CAP | H9 | H10 | 120.8° | 120.1° |
| CAN | CAP | CBA | H11 | 56.7° | 62.2° |
| CAO | CAM | NAS | CAN | 58.6° | 61.8° |
| CAO | CAM | NAS | H3 | 120.2° | 120.0° |
| CAO | CAM | NAS | H4 | 120.3° | 120.0° |
| CAM | CAO | H1 | H2 | 120.6° | 120.0° |
| CAO | CAM | H3 | H4 | 119.3° | 120.0° |
| CAO | CAM | NAS | H5 | 178.7° | 174.1° |
| CAM | CAO | CBA | H11 | 60.0° | 62.3° |
| CAN | NAS | CAM | H5 | 120.1° | 124.1° |
| CAN | NAS | CAM | H3 | 178.8° | 178.3° |
| CAN | NAS | CAM | H4 | 61.7° | 58.3° |
| NAS | CAN | H7 | H8 | 120.2° | 120.0° |
| NAS | CAN | CAP | H9 | 176.9° | 60.8° |
| NAS | CAN | CAP | H10 | 56.4° | 179.1° |
| NAS | CAM | CAO | H1 | 62.4° | 179.2° |
| NAS | CAM | CAO | H2 | 177.2° | 60.8° |
| NAS | CAM | H3 | H4 | 119.3° | 120.0° |
| CAM | NAS | CAN | H7 | 58.8° | 178.2° |
| CAM | NAS | CAN | H8 | 179.0° | 58.3° |
| H1 | CAO | CAM | H3 | 57.8° | 60.9° |
| H1 | CAO | CAM | H4 | 177.3° | 59.1° |
| H1 | CAO | CBA | H11 | 179.8° | 57.6° |
| H2 | CAO | CAM | H3 | 62.6° | 59.2° |
| H2 | CAO | CAM | H4 | 56.9° | 179.2° |
| H2 | CAO | CBA | H11 | 59.8° | 177.8° |
| H3 | CAM | NAS | H5 | 61.1° | 54.2° |
| H4 | CAM | NAS | H5 | 58.4° | 65.8° |
| H5 | NAS | CAN | H7 | 61.3° | 54.1° |
| H5 | NAS | CAN | H8 | 58.9° | 65.8° |
| H7 | CAN | CAP | H9 | 63.2° | 59.3° |
| H7 | CAN | CAP | H10 | 176.3° | 60.8° |
| H8 | CAN | CAP | H9 | 57.0° | 179.2° |
| H8 | CAN | CAP | H10 | 63.6° | 59.1° |
| H9 | CAP | CBA | H11 | 63.1° | 177.8° |
| H10 | CAP | CBA | H11 | 176.4° | 57.7° |
| H13 | CAF | CAC | H14 | 1.1° | 0.1° |
| H14 | CAC | CAE | H15 | 2.0° | 0.1° |
| H16 | CAK | CAI | H17 | 0.9° | 0.1° |
| H18 | CAJ | CAH | H19 | 1.7° | 0.0° |
| H22 | CAG | CAB | H23 | 1.6° | 0.0° |
| H23 | CAB | CAD | H24 | 0.7° | 0.0° |
| H25 | CAA | H26 | H27 | 120.0° | 120.0° |
