6TD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAU | sing | 1.51Å | 1.50Å | |
| CAK | CAR | sing | 1.51Å | 1.49Å | |
| NAL | CAU | doub | 1.30Å | 1.32Å | Aromatic |
| NAL | NAM | sing | 1.29Å | 1.34Å | Aromatic |
| CAU | NAZ | sing | 1.38Å | 1.40Å | Aromatic |
| CAR | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| NAM | CAY | doub | 1.31Å | 1.35Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| NAZ | CAY | sing | 1.36Å | 1.36Å | Aromatic |
| NAZ | NAN | sing | 1.39Å | 1.37Å | Aromatic |
| CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | SAQ | sing | 1.77Å | 1.73Å | Aromatic |
| NAN | CAV | doub | 1.30Å | 1.34Å | Aromatic |
| CAG | CAS | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAS | sing | 1.39Å | 1.38Å | Aromatic |
| CAV | SAQ | sing | 1.77Å | 1.75Å | Aromatic |
| CAV | CAT | sing | 1.47Å | 1.47Å | |
| CAS | OAP | sing | 1.36Å | 1.37Å | |
| CAJ | CAT | doub | 1.36Å | 1.40Å | Aromatic |
| CAJ | CAW | sing | 1.46Å | 1.43Å | Aromatic |
| CAT | NAO | sing | 1.38Å | 1.33Å | Aromatic |
| OAP | CAA | sing | 1.43Å | 1.38Å | |
| CAW | CAH | doub | 1.40Å | 1.42Å | Aromatic |
| CAW | CAX | sing | 1.41Å | 1.38Å | Aromatic |
| NAO | CAX | sing | 1.38Å | 1.37Å | Aromatic |
| CAH | CAB | sing | 1.37Å | 1.40Å | Aromatic |
| CAX | CAI | doub | 1.39Å | 1.42Å | Aromatic |
| CAB | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å | |
| CAK | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAH | H11 | sing | 1.08Å | 1.08Å | |
| CAB | H12 | sing | 1.08Å | 1.08Å | |
| CAC | H13 | sing | 1.08Å | 1.08Å | |
| CAI | H14 | sing | 1.08Å | 1.08Å | |
| NAO | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAU | CAK | CAR | 111.3° | 109.5° |
| CAK | CAU | NAL | 127.6° | 126.2° |
| CAK | CAU | NAZ | 124.9° | 126.1° |
| CAU | CAK | H8 | 109.0° | 109.5° |
| CAU | CAK | H9 | 109.0° | 109.4° |
| CAK | CAR | CAE | 119.0° | 119.9° |
| CAK | CAR | CAD | 121.1° | 119.9° |
| CAR | CAK | H8 | 109.0° | 109.5° |
| CAR | CAK | H9 | 109.0° | 109.4° |
| CAU | NAL | NAM | 108.6° | 110.1° |
| NAL | CAU | NAZ | 107.5° | 107.7° |
| NAL | NAM | CAY | 109.9° | 109.5° |
| CAU | NAZ | CAY | 107.2° | 104.5° |
| CAU | NAZ | NAN | 135.1° | 140.4° |
| CAE | CAR | CAD | 119.9° | 120.2° |
| CAR | CAE | CAG | 120.1° | 120.0° |
| CAR | CAE | H5 | 119.9° | 120.0° |
| CAR | CAD | CAF | 119.8° | 120.0° |
| CAR | CAD | H7 | 120.1° | 120.0° |
| NAM | CAY | NAZ | 106.8° | 108.3° |
| NAM | CAY | SAQ | 147.7° | 146.2° |
| CAE | CAG | CAS | 120.0° | 119.9° |
| CAE | CAG | H4 | 120.0° | 120.0° |
| CAG | CAE | H5 | 119.9° | 119.9° |
| CAY | NAZ | NAN | 117.7° | 115.1° |
| NAZ | CAY | SAQ | 105.5° | 105.5° |
| NAZ | NAN | CAV | 114.6° | 119.0° |
| CAD | CAF | CAS | 120.0° | 120.0° |
| CAD | CAF | H6 | 120.0° | 120.0° |
| CAF | CAD | H7 | 120.1° | 120.0° |
| CAY | SAQ | CAV | 94.6° | 94.4° |
| NAN | CAV | SAQ | 107.5° | 105.9° |
| NAN | CAV | CAT | 125.1° | 127.1° |
| CAG | CAS | CAF | 120.1° | 119.9° |
| CAG | CAS | OAP | 119.2° | 120.0° |
| CAS | CAG | H4 | 120.0° | 120.0° |
| CAF | CAS | OAP | 120.7° | 120.1° |
| CAS | CAF | H6 | 120.0° | 120.0° |
| SAQ | CAV | CAT | 127.2° | 127.0° |
| CAV | CAT | CAJ | 125.8° | 125.2° |
| CAV | CAT | NAO | 124.0° | 125.2° |
| CAS | OAP | CAA | 119.0° | 117.0° |
| CAT | CAJ | CAW | 105.2° | 106.9° |
| CAJ | CAT | NAO | 110.0° | 109.5° |
| CAT | CAJ | H10 | 127.4° | 126.6° |
| CAJ | CAW | CAH | 133.2° | 133.8° |
| CAJ | CAW | CAX | 107.2° | 106.3° |
| CAW | CAJ | H10 | 127.4° | 126.5° |
| CAT | NAO | CAX | 109.2° | 109.8° |
| CAT | NAO | H15 | 125.4° | 125.1° |
| OAP | CAA | H1 | 109.5° | 109.5° |
| OAP | CAA | H2 | 109.5° | 109.5° |
| OAP | CAA | H3 | 109.4° | 109.5° |
| CAH | CAW | CAX | 119.6° | 119.9° |
| CAW | CAH | CAB | 119.7° | 119.8° |
| CAW | CAH | H11 | 120.1° | 120.1° |
| CAW | CAX | NAO | 108.5° | 107.5° |
| CAW | CAX | CAI | 120.7° | 119.3° |
| NAO | CAX | CAI | 130.8° | 133.3° |
| CAX | NAO | H15 | 125.4° | 125.1° |
| CAH | CAB | CAC | 120.6° | 120.5° |
| CAB | CAH | H11 | 120.2° | 120.1° |
| CAH | CAB | H12 | 119.7° | 119.8° |
| CAX | CAI | CAC | 119.4° | 119.9° |
| CAX | CAI | H14 | 120.3° | 120.1° |
| CAB | CAC | CAI | 119.9° | 120.7° |
| CAC | CAB | H12 | 119.7° | 119.7° |
| CAB | CAC | H13 | 120.0° | 119.6° |
| CAI | CAC | H13 | 120.1° | 119.7° |
| CAC | CAI | H14 | 120.3° | 120.1° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H8 | CAK | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAU | CAK | CAR | H8 | 120.3° | 120.1° |
| CAU | CAK | CAR | H9 | 120.3° | 119.9° |
| CAK | CAU | NAL | NAZ | 179.3° | 179.7° |
| CAK | CAU | NAL | NAM | 179.5° | 180.0° |
| CAU | CAK | CAR | CAE | 76.4° | 89.9° |
| CAU | CAK | CAR | CAD | 103.9° | 89.7° |
| CAK | CAU | NAZ | CAY | 179.6° | 179.9° |
| CAK | CAU | NAZ | NAN | 1.2° | 0.0° |
| CAU | CAK | H8 | H9 | 119.1° | 120.0° |
| CAR | CAK | CAU | NAL | 107.0° | 89.7° |
| CAR | CAK | CAU | NAZ | 73.8° | 90.0° |
| CAK | CAR | CAE | CAD | 179.7° | 179.7° |
| CAK | CAR | CAE | CAG | 180.0° | 180.0° |
| CAK | CAR | CAD | CAF | 179.7° | 180.0° |
| CAK | CAR | CAE | H5 | 0.1° | 0.1° |
| CAK | CAR | CAD | H7 | 0.2° | 0.0° |
| CAR | CAK | H8 | H9 | 119.2° | 120.0° |
| CAU | NAL | NAM | CAY | 0.0° | 0.0° |
| NAL | CAU | NAZ | CAY | 0.3° | 0.4° |
| NAL | CAU | NAZ | NAN | 179.5° | 179.7° |
| NAL | CAU | CAK | H8 | 132.7° | 150.3° |
| NAL | CAU | CAK | H9 | 13.2° | 30.3° |
| NAM | NAL | CAU | NAZ | 0.1° | 0.3° |
| NAL | NAM | CAY | NAZ | 0.2° | 0.2° |
| NAL | NAM | CAY | SAQ | 179.5° | 180.0° |
| CAU | NAZ | CAY | NAM | 0.3° | 0.4° |
| CAU | NAZ | CAY | NAN | 179.4° | 179.9° |
| CAU | NAZ | CAY | SAQ | 179.6° | 179.7° |
| CAU | NAZ | NAN | CAV | 178.5° | 179.1° |
| NAZ | CAU | CAK | H8 | 46.5° | 30.0° |
| NAZ | CAU | CAK | H9 | 166.0° | 150.0° |
| CAR | CAE | CAG | H5 | 180.0° | 179.9° |
| CAE | CAR | CAD | CAF | 0.1° | 0.3° |
| CAR | CAE | CAG | CAS | 0.4° | 0.1° |
| CAR | CAE | CAG | H4 | 179.6° | 180.0° |
| CAE | CAR | CAD | H7 | 179.9° | 179.7° |
| CAE | CAR | CAK | H8 | 163.3° | 150.0° |
| CAE | CAR | CAK | H9 | 43.8° | 30.0° |
| CAD | CAR | CAE | CAG | 0.3° | 0.4° |
| CAR | CAD | CAF | H7 | 180.0° | 180.0° |
| CAR | CAD | CAF | CAS | 0.0° | 0.0° |
| CAD | CAR | CAE | H5 | 179.7° | 179.8° |
| CAR | CAD | CAF | H6 | 179.9° | 180.0° |
| CAD | CAR | CAK | H8 | 16.4° | 30.3° |
| CAD | CAR | CAK | H9 | 135.8° | 150.3° |
| NAM | CAY | NAZ | SAQ | 179.9° | 179.9° |
| NAM | CAY | NAZ | NAN | 179.7° | 179.7° |
| NAM | CAY | SAQ | CAV | 179.0° | 180.0° |
| CAE | CAG | CAS | H4 | 180.0° | 180.0° |
| CAE | CAG | CAS | CAF | 0.2° | 0.3° |
| CAE | CAG | CAS | OAP | 179.9° | 180.0° |
| CAY | NAZ | NAN | CAV | 0.6° | 0.7° |
| NAZ | CAY | SAQ | CAV | 0.7° | 0.2° |
| NAN | NAZ | CAY | SAQ | 0.2° | 0.2° |
| NAZ | NAN | CAV | SAQ | 1.1° | 0.8° |
| NAZ | NAN | CAV | CAT | 177.1° | 179.9° |
| CAD | CAF | CAS | CAG | 0.0° | 0.3° |
| CAD | CAF | CAS | H6 | 180.0° | 180.0° |
| CAD | CAF | CAS | OAP | 179.7° | 180.0° |
| CAY | SAQ | CAV | NAN | 1.1° | 0.6° |
| CAY | SAQ | CAV | CAT | 177.0° | 179.8° |
| NAN | CAV | SAQ | CAT | 175.9° | 179.2° |
| NAN | CAV | CAT | CAJ | 3.4° | 0.2° |
| NAN | CAV | CAT | NAO | 171.6° | 180.0° |
| CAG | CAS | CAF | OAP | 179.7° | 179.7° |
| CAG | CAS | OAP | CAA | 177.9° | 180.0° |
| CAS | CAG | CAE | H5 | 179.6° | 179.9° |
| CAG | CAS | CAF | H6 | 180.0° | 179.7° |
| CAF | CAS | OAP | CAA | 2.4° | 0.3° |
| CAF | CAS | CAG | H4 | 179.7° | 179.7° |
| CAS | CAF | CAD | H7 | 180.0° | 180.0° |
| SAQ | CAV | CAT | CAJ | 178.6° | 179.3° |
| SAQ | CAV | CAT | NAO | 3.7° | 0.9° |
| CAV | CAT | CAJ | NAO | 175.5° | 179.8° |
| CAV | CAT | CAJ | CAW | 177.1° | 180.0° |
| CAV | CAT | NAO | CAX | 177.5° | 179.8° |
| CAV | CAT | CAJ | H10 | 2.9° | 0.0° |
| CAV | CAT | NAO | H15 | 2.5° | 0.1° |
| CAS | OAP | CAA | H1 | 180.0° | 60.0° |
| CAS | OAP | CAA | H2 | 60.0° | 180.0° |
| CAS | OAP | CAA | H3 | 60.0° | 60.0° |
| OAP | CAS | CAG | H4 | 0.0° | 0.0° |
| OAP | CAS | CAF | H6 | 0.3° | 0.0° |
| CAT | CAJ | CAW | H10 | 180.0° | 180.0° |
| CAT | CAJ | CAW | CAH | 179.0° | 180.0° |
| CAT | CAJ | CAW | CAX | 0.8° | 0.0° |
| CAJ | CAT | NAO | CAX | 1.8° | 0.4° |
| CAJ | CAT | NAO | H15 | 178.1° | 179.7° |
| CAW | CAJ | CAT | NAO | 1.6° | 0.2° |
| CAJ | CAW | CAH | CAX | 179.7° | 180.0° |
| CAJ | CAW | CAX | NAO | 0.3° | 0.3° |
| CAJ | CAW | CAH | CAB | 179.8° | 180.0° |
| CAJ | CAW | CAX | CAI | 180.0° | 180.0° |
| CAJ | CAW | CAH | H11 | 0.2° | 0.0° |
| CAT | NAO | CAX | CAW | 1.3° | 0.4° |
| CAT | NAO | CAX | H15 | 180.0° | 179.9° |
| CAT | NAO | CAX | CAI | 179.0° | 179.8° |
| NAO | CAT | CAJ | H10 | 178.4° | 179.8° |
| OAP | CAA | H1 | H2 | 120.0° | 120.0° |
| OAP | CAA | H1 | H3 | 120.0° | 120.0° |
| OAP | CAA | H2 | H3 | 120.0° | 120.0° |
| CAH | CAW | CAX | NAO | 179.9° | 179.7° |
| CAW | CAH | CAB | H11 | 180.0° | 180.0° |
| CAH | CAW | CAX | CAI | 0.2° | 0.1° |
| CAW | CAH | CAB | CAC | 0.2° | 0.1° |
| CAH | CAW | CAJ | H10 | 1.0° | 0.0° |
| CAW | CAH | CAB | H12 | 179.8° | 180.0° |
| CAW | CAX | NAO | CAI | 179.6° | 179.7° |
| CAX | CAW | CAH | CAB | 0.1° | 0.0° |
| CAW | CAX | CAI | CAC | 0.1° | 0.1° |
| CAX | CAW | CAJ | H10 | 179.2° | 180.0° |
| CAX | CAW | CAH | H11 | 179.9° | 180.0° |
| CAW | CAX | CAI | H14 | 180.0° | 180.0° |
| CAW | CAX | NAO | H15 | 178.7° | 179.7° |
| NAO | CAX | CAI | CAC | 179.7° | 179.6° |
| NAO | CAX | CAI | H14 | 0.3° | 0.3° |
| CAH | CAB | CAC | H12 | 180.0° | 180.0° |
| CAH | CAB | CAC | CAI | 0.3° | 0.0° |
| CAH | CAB | CAC | H13 | 179.6° | 180.0° |
| CAX | CAI | CAC | CAB | 0.2° | 0.1° |
| CAX | CAI | CAC | H14 | 180.0° | 179.9° |
| CAX | CAI | CAC | H13 | 179.8° | 179.9° |
| CAI | CAX | NAO | H15 | 1.0° | 0.0° |
| CAB | CAC | CAI | H13 | 180.0° | 180.0° |
| CAC | CAB | CAH | H11 | 179.8° | 180.0° |
| CAB | CAC | CAI | H14 | 179.8° | 180.0° |
| CAI | CAC | CAB | H12 | 179.7° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAG | CAE | H5 | 0.4° | 0.1° |
| H6 | CAF | CAD | H7 | 0.1° | 0.0° |
| H11 | CAH | CAB | H12 | 0.2° | 0.0° |
| H12 | CAB | CAC | H13 | 0.4° | 0.0° |
| H13 | CAC | CAI | H14 | 0.2° | 0.0° |
