1TM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAT | CAQ | sing | 1.36Å | 1.42Å | |
| CAP | CAQ | doub | 1.39Å | 1.37Å | Aromatic |
| CAP | CAO | sing | 1.38Å | 1.44Å | Aromatic |
| CAQ | CAR | sing | 1.39Å | 1.36Å | Aromatic |
| CAO | CAN | doub | 1.39Å | 1.37Å | Aromatic |
| CAR | CAS | doub | 1.38Å | 1.44Å | Aromatic |
| CAN | CAS | sing | 1.39Å | 1.37Å | Aromatic |
| CAN | CAJ | sing | 1.48Å | 1.45Å | |
| CAJ | CAB | doub | 1.39Å | 1.37Å | Aromatic |
| CAJ | CAK | sing | 1.41Å | 1.42Å | Aromatic |
| NAM | CAK | sing | 1.40Å | 1.44Å | |
| CAD | CAE | doub | 1.38Å | 1.36Å | Aromatic |
| CAD | CAC | sing | 1.40Å | 1.38Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CAB | sing | 1.48Å | 1.43Å | |
| CAC | CAH | doub | 1.40Å | 1.42Å | Aromatic |
| CAB | NAA | sing | 1.36Å | 1.35Å | Aromatic |
| CAK | NAL | doub | 1.31Å | 1.35Å | Aromatic |
| CAF | CAG | doub | 1.39Å | 1.43Å | Aromatic |
| CAF | OAI | sing | 1.36Å | 1.35Å | |
| CAH | CAG | sing | 1.38Å | 1.36Å | Aromatic |
| NAA | NAL | sing | 1.40Å | 1.34Å | Aromatic |
| CAO | H1 | sing | 1.08Å | 1.08Å | |
| CAP | H2 | sing | 1.08Å | 1.08Å | |
| OAT | H3 | sing | 0.97Å | 0.95Å | |
| CAR | H4 | sing | 1.08Å | 1.08Å | |
| CAS | H5 | sing | 1.08Å | 1.08Å | |
| NAM | H6 | sing | 0.97Å | 1.00Å | |
| NAM | H7 | sing | 0.97Å | 1.00Å | |
| CAD | H9 | sing | 1.08Å | 1.08Å | |
| CAE | H10 | sing | 1.08Å | 1.08Å | |
| OAI | H11 | sing | 0.97Å | 0.95Å | |
| CAG | H12 | sing | 1.08Å | 1.08Å | |
| CAH | H13 | sing | 1.08Å | 1.08Å | |
| NAA | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAT | CAQ | CAP | 118.3° | 120.0° |
| OAT | CAQ | CAR | 121.4° | 119.9° |
| CAQ | OAT | H3 | 109.5° | 114.1° |
| CAQ | CAP | CAO | 119.8° | 120.1° |
| CAP | CAQ | CAR | 120.2° | 120.1° |
| CAQ | CAP | H2 | 120.1° | 119.9° |
| CAP | CAO | CAN | 122.4° | 119.9° |
| CAP | CAO | H1 | 118.8° | 120.1° |
| CAO | CAP | H2 | 120.1° | 119.9° |
| CAQ | CAR | CAS | 117.6° | 120.1° |
| CAQ | CAR | H4 | 121.2° | 119.9° |
| CAO | CAN | CAS | 115.2° | 119.9° |
| CAO | CAN | CAJ | 119.5° | 120.0° |
| CAN | CAO | H1 | 118.8° | 120.1° |
| CAR | CAS | CAN | 124.5° | 119.9° |
| CAS | CAR | H4 | 121.2° | 120.0° |
| CAR | CAS | H5 | 117.7° | 120.1° |
| CAS | CAN | CAJ | 125.3° | 120.1° |
| CAN | CAS | H5 | 117.8° | 120.0° |
| CAN | CAJ | CAB | 132.2° | 126.3° |
| CAN | CAJ | CAK | 123.1° | 126.4° |
| CAB | CAJ | CAK | 104.7° | 107.3° |
| CAJ | CAB | CAC | 138.8° | 126.5° |
| CAJ | CAB | NAA | 104.9° | 107.1° |
| CAJ | CAK | NAM | 126.0° | 125.8° |
| CAJ | CAK | NAL | 112.8° | 108.4° |
| NAM | CAK | NAL | 121.2° | 125.8° |
| CAK | NAM | H6 | 109.5° | 120.0° |
| CAK | NAM | H7 | 109.5° | 120.0° |
| CAE | CAD | CAC | 123.2° | 119.9° |
| CAD | CAE | CAF | 120.1° | 120.0° |
| CAE | CAD | H9 | 118.4° | 120.0° |
| CAD | CAE | H10 | 119.9° | 120.0° |
| CAD | CAC | CAB | 120.4° | 120.0° |
| CAD | CAC | CAH | 115.7° | 119.8° |
| CAC | CAD | H9 | 118.4° | 120.0° |
| CAE | CAF | CAG | 119.0° | 120.2° |
| CAE | CAF | OAI | 116.9° | 119.9° |
| CAF | CAE | H10 | 119.9° | 119.9° |
| CAB | CAC | CAH | 123.9° | 120.1° |
| CAC | CAB | NAA | 116.1° | 126.4° |
| CAC | CAH | CAG | 123.7° | 119.9° |
| CAC | CAH | H13 | 118.1° | 120.1° |
| CAB | NAA | NAL | 116.7° | 108.2° |
| CAB | NAA | H8 | 121.7° | 126.0° |
| CAK | NAL | NAA | 100.8° | 109.1° |
| CAG | CAF | OAI | 124.0° | 119.9° |
| CAF | CAG | CAH | 118.0° | 120.1° |
| CAF | CAG | H12 | 121.0° | 120.0° |
| CAF | OAI | H11 | 109.5° | 114.0° |
| CAH | CAG | H12 | 121.0° | 120.0° |
| CAG | CAH | H13 | 118.1° | 120.0° |
| NAL | NAA | H8 | 121.6° | 125.8° |
| H6 | NAM | H7 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAT | CAQ | CAP | CAR | 177.9° | 179.9° |
| OAT | CAQ | CAP | CAO | 176.3° | 180.0° |
| OAT | CAQ | CAR | CAS | 177.4° | 180.0° |
| OAT | CAQ | CAP | H2 | 3.6° | 0.0° |
| OAT | CAQ | CAR | H4 | 2.7° | 0.2° |
| CAQ | CAP | CAO | H2 | 180.0° | 180.0° |
| CAQ | CAP | CAO | CAN | 3.1° | 0.0° |
| CAP | CAQ | CAR | CAS | 4.8° | 0.1° |
| CAQ | CAP | CAO | H1 | 176.9° | 179.7° |
| CAP | CAQ | OAT | H3 | 180.0° | 90.0° |
| CAP | CAQ | CAR | H4 | 175.2° | 179.9° |
| CAO | CAP | CAQ | CAR | 5.8° | 0.1° |
| CAP | CAO | CAN | H1 | 180.0° | 179.7° |
| CAP | CAO | CAN | CAS | 0.4° | 0.0° |
| CAP | CAO | CAN | CAJ | 179.8° | 179.7° |
| CAQ | CAR | CAS | H4 | 180.0° | 179.9° |
| CAQ | CAR | CAS | CAN | 1.3° | 0.0° |
| CAR | CAQ | CAP | H2 | 174.3° | 179.9° |
| CAR | CAQ | OAT | H3 | 2.1° | 89.9° |
| CAQ | CAR | CAS | H5 | 178.7° | 180.0° |
| CAO | CAN | CAS | CAR | 1.3° | 0.0° |
| CAO | CAN | CAS | CAJ | 179.5° | 179.7° |
| CAO | CAN | CAJ | CAB | 118.4° | 115.0° |
| CAO | CAN | CAJ | CAK | 60.7° | 64.7° |
| CAN | CAO | CAP | H2 | 176.9° | 180.0° |
| CAO | CAN | CAS | H5 | 178.7° | 180.0° |
| CAR | CAS | CAN | H5 | 180.0° | 180.0° |
| CAR | CAS | CAN | CAJ | 179.3° | 179.7° |
| CAS | CAN | CAJ | CAB | 61.0° | 65.3° |
| CAS | CAN | CAJ | CAK | 119.9° | 115.0° |
| CAS | CAN | CAO | H1 | 179.6° | 179.6° |
| CAN | CAS | CAR | H4 | 178.7° | 179.9° |
| CAN | CAJ | CAB | CAK | 179.2° | 179.8° |
| CAN | CAJ | CAK | NAM | 0.2° | 0.0° |
| CAN | CAJ | CAB | CAC | 4.2° | 0.0° |
| CAN | CAJ | CAB | NAA | 178.0° | 179.9° |
| CAN | CAJ | CAK | NAL | 178.7° | 180.0° |
| CAJ | CAN | CAO | H1 | 0.1° | 0.1° |
| CAJ | CAN | CAS | H5 | 0.7° | 0.2° |
| CAB | CAJ | CAK | NAM | 179.2° | 179.8° |
| CAJ | CAB | CAC | CAD | 145.5° | 44.8° |
| CAJ | CAB | CAC | NAA | 173.3° | 179.8° |
| CAJ | CAB | CAC | CAH | 37.0° | 135.0° |
| CAB | CAJ | CAK | NAL | 2.0° | 0.2° |
| CAJ | CAB | NAA | NAL | 3.0° | 0.4° |
| CAJ | CAB | NAA | H8 | 177.0° | 179.9° |
| CAJ | CAK | NAM | NAL | 178.8° | 180.0° |
| CAK | CAJ | CAB | CAC | 176.5° | 179.8° |
| CAK | CAJ | CAB | NAA | 2.8° | 0.4° |
| CAJ | CAK | NAL | NAA | 0.3° | 0.0° |
| CAJ | CAK | NAM | H6 | 178.8° | 0.1° |
| CAJ | CAK | NAM | H7 | 61.2° | 179.9° |
| NAM | CAK | NAL | NAA | 179.2° | 180.0° |
| CAK | NAM | H6 | H7 | 120.0° | 179.9° |
| CAE | CAD | CAC | H9 | 180.0° | 179.9° |
| CAD | CAE | CAF | H10 | 180.0° | 179.9° |
| CAE | CAD | CAC | CAB | 175.7° | 179.9° |
| CAE | CAD | CAC | CAH | 2.0° | 0.2° |
| CAD | CAE | CAF | CAG | 5.4° | 0.0° |
| CAD | CAE | CAF | OAI | 173.7° | 179.9° |
| CAC | CAD | CAE | CAF | 1.6° | 0.1° |
| CAD | CAC | CAB | CAH | 177.5° | 179.8° |
| CAD | CAC | CAB | NAA | 41.2° | 135.4° |
| CAD | CAC | CAH | CAG | 1.8° | 0.5° |
| CAC | CAD | CAE | H10 | 178.4° | 180.0° |
| CAD | CAC | CAH | H13 | 178.2° | 179.8° |
| CAE | CAF | CAG | OAI | 179.0° | 180.0° |
| CAE | CAF | CAG | CAH | 5.4° | 0.3° |
| CAF | CAE | CAD | H9 | 178.4° | 180.0° |
| CAE | CAF | OAI | H11 | 180.0° | 90.0° |
| CAE | CAF | CAG | H12 | 174.6° | 180.0° |
| CAB | CAC | CAH | CAG | 175.8° | 179.8° |
| CAC | CAB | NAA | NAL | 178.4° | 179.8° |
| CAB | CAC | CAD | H9 | 4.2° | 0.0° |
| CAB | CAC | CAH | H13 | 4.2° | 0.0° |
| CAC | CAB | NAA | H8 | 1.6° | 0.0° |
| CAH | CAC | CAB | NAA | 136.3° | 44.8° |
| CAC | CAH | CAG | CAF | 1.8° | 0.5° |
| CAC | CAH | CAG | H13 | 180.0° | 179.7° |
| CAH | CAC | CAD | H9 | 178.0° | 179.8° |
| CAC | CAH | CAG | H12 | 178.2° | 179.7° |
| CAB | NAA | NAL | CAK | 1.7° | 0.3° |
| CAB | NAA | NAL | H8 | 180.0° | 179.7° |
| NAL | CAK | NAM | H6 | 0.0° | 179.9° |
| NAL | CAK | NAM | H7 | 120.0° | 0.1° |
| CAK | NAL | NAA | H8 | 178.3° | 180.0° |
| CAF | CAG | CAH | H12 | 180.0° | 179.8° |
| CAG | CAF | CAE | H10 | 174.6° | 179.9° |
| CAG | CAF | OAI | H11 | 1.0° | 90.0° |
| CAF | CAG | CAH | H13 | 178.2° | 179.7° |
| OAI | CAF | CAG | CAH | 173.6° | 179.8° |
| OAI | CAF | CAE | H10 | 6.3° | 0.0° |
| OAI | CAF | CAG | H12 | 6.4° | 0.0° |
| H1 | CAO | CAP | H2 | 3.1° | 0.3° |
| H4 | CAR | CAS | H5 | 1.3° | 0.1° |
| H9 | CAD | CAE | H10 | 1.6° | 0.1° |
| H12 | CAG | CAH | H13 | 1.8° | 0.0° |
