0KB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAY | PAV | doub | 1.48Å | 1.56Å | |
| FAL | CAK | sing | 1.40Å | 1.38Å | |
| FAN | CAK | sing | 1.40Å | 1.42Å | |
| CAK | CAG | sing | 1.51Å | 1.40Å | |
| CAK | FAM | sing | 1.40Å | 1.35Å | |
| OAO | CAA | sing | 1.43Å | 1.46Å | |
| OAO | CAP | sing | 1.36Å | 1.38Å | |
| CAA | CAB | sing | 1.51Å | 1.57Å | |
| CAU | CAP | doub | 1.39Å | 1.41Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.41Å | Aromatic |
| CAP | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAG | doub | 1.38Å | 1.42Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| OAD | CAB | doub | 1.21Å | 1.23Å | |
| CAB | NAC | sing | 1.35Å | 1.37Å | |
| CAT | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | PAV | sing | 1.81Å | 1.83Å | |
| CAQ | CAR | doub | 1.38Å | 1.40Å | Aromatic |
| PAV | OAW | sing | 1.61Å | 1.58Å | |
| PAV | OAX | sing | 1.61Å | 1.52Å | |
| CAG | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| NAC | CAE | sing | 1.40Å | 1.35Å | |
| CAS | CAR | sing | 1.38Å | 1.44Å | Aromatic |
| CAE | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | CAI | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| OAW | H1 | sing | 0.97Å | 0.95Å | |
| OAX | H2 | sing | 0.97Å | 0.95Å | |
| CAR | H3 | sing | 1.08Å | 1.08Å | |
| CAS | H4 | sing | 1.08Å | 1.08Å | |
| CAT | H5 | sing | 1.08Å | 1.08Å | |
| CAU | H6 | sing | 1.08Å | 1.08Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| NAC | H9 | sing | 0.97Å | 1.00Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAH | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAY | PAV | CAQ | 105.8° | 109.5° |
| OAY | PAV | OAW | 115.9° | 109.4° |
| OAY | PAV | OAX | 112.3° | 109.5° |
| FAL | CAK | FAN | 113.6° | 109.5° |
| FAL | CAK | CAG | 106.9° | 109.5° |
| FAL | CAK | FAM | 110.7° | 109.5° |
| FAN | CAK | CAG | 111.5° | 109.4° |
| FAN | CAK | FAM | 101.2° | 109.4° |
| CAG | CAK | FAM | 113.0° | 109.5° |
| CAK | CAG | CAF | 120.2° | 119.9° |
| CAK | CAG | CAH | 119.9° | 120.0° |
| CAA | OAO | CAP | 121.0° | 116.9° |
| OAO | CAA | CAB | 108.1° | 109.5° |
| OAO | CAA | H7 | 109.8° | 109.5° |
| OAO | CAA | H8 | 109.8° | 109.5° |
| OAO | CAP | CAU | 120.7° | 120.1° |
| OAO | CAP | CAQ | 117.4° | 120.0° |
| CAA | CAB | OAD | 119.9° | 120.0° |
| CAA | CAB | NAC | 114.1° | 120.0° |
| CAB | CAA | H7 | 109.8° | 109.5° |
| CAB | CAA | H8 | 109.8° | 109.4° |
| CAP | CAU | CAT | 119.1° | 120.0° |
| CAU | CAP | CAQ | 121.8° | 119.9° |
| CAP | CAU | H6 | 120.5° | 120.0° |
| CAU | CAT | CAS | 118.8° | 120.0° |
| CAU | CAT | H5 | 120.6° | 120.0° |
| CAT | CAU | H6 | 120.5° | 120.0° |
| CAP | CAQ | PAV | 119.6° | 120.0° |
| CAP | CAQ | CAR | 120.6° | 119.9° |
| CAG | CAF | CAE | 119.9° | 119.9° |
| CAF | CAG | CAH | 119.9° | 120.1° |
| CAG | CAF | H10 | 120.0° | 120.0° |
| CAF | CAE | NAC | 124.1° | 120.1° |
| CAF | CAE | CAJ | 119.0° | 119.9° |
| CAE | CAF | H10 | 120.0° | 120.0° |
| OAD | CAB | NAC | 126.1° | 120.0° |
| CAB | NAC | CAE | 122.4° | 120.0° |
| CAB | NAC | H9 | 118.8° | 120.0° |
| CAT | CAS | CAR | 122.6° | 120.1° |
| CAT | CAS | H4 | 118.7° | 119.9° |
| CAS | CAT | H5 | 120.6° | 120.0° |
| PAV | CAQ | CAR | 119.7° | 120.1° |
| CAQ | PAV | OAW | 106.8° | 109.5° |
| CAQ | PAV | OAX | 110.0° | 109.5° |
| CAQ | CAR | CAS | 117.0° | 120.1° |
| CAQ | CAR | H3 | 121.5° | 119.9° |
| OAW | PAV | OAX | 105.9° | 109.5° |
| PAV | OAW | H1 | 109.5° | 114.0° |
| PAV | OAX | H2 | 109.5° | 114.0° |
| CAG | CAH | CAI | 120.1° | 120.2° |
| CAG | CAH | H11 | 119.9° | 119.9° |
| NAC | CAE | CAJ | 116.9° | 120.0° |
| CAE | NAC | H9 | 118.8° | 120.0° |
| CAS | CAR | H3 | 121.5° | 120.0° |
| CAR | CAS | H4 | 118.7° | 120.0° |
| CAE | CAJ | CAI | 121.4° | 119.9° |
| CAE | CAJ | H13 | 119.3° | 120.0° |
| CAH | CAI | CAJ | 119.6° | 120.1° |
| CAI | CAH | H11 | 119.9° | 119.9° |
| CAH | CAI | H12 | 120.2° | 120.0° |
| CAJ | CAI | H12 | 120.2° | 119.9° |
| CAI | CAJ | H13 | 119.3° | 120.1° |
| H7 | CAA | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAY | PAV | CAQ | CAP | 61.0° | 149.7° |
| OAY | PAV | CAQ | OAW | 124.0° | 120.0° |
| OAY | PAV | CAQ | OAX | 121.5° | 120.0° |
| OAY | PAV | CAQ | CAR | 116.1° | 30.0° |
| OAY | PAV | OAW | OAX | 125.2° | 119.9° |
| OAY | PAV | OAW | H1 | 0.0° | 60.0° |
| OAY | PAV | OAX | H2 | 0.0° | 180.0° |
| FAL | CAK | FAN | CAG | 120.9° | 120.0° |
| FAL | CAK | FAN | FAM | 118.6° | 120.0° |
| FAL | CAK | CAG | FAM | 122.0° | 120.1° |
| FAL | CAK | CAG | CAF | 100.9° | 30.0° |
| FAL | CAK | CAG | CAH | 78.3° | 150.0° |
| FAN | CAK | CAG | FAM | 113.2° | 119.9° |
| FAN | CAK | CAG | CAF | 23.9° | 150.0° |
| FAN | CAK | CAG | CAH | 157.0° | 30.0° |
| CAK | CAG | CAF | CAH | 179.2° | 180.0° |
| CAK | CAG | CAF | CAE | 178.2° | 180.0° |
| CAK | CAG | CAH | CAI | 177.9° | 180.0° |
| CAK | CAG | CAF | H10 | 1.8° | 0.0° |
| CAK | CAG | CAH | H11 | 2.1° | 0.0° |
| FAM | CAK | CAG | CAF | 137.1° | 90.1° |
| FAM | CAK | CAG | CAH | 43.8° | 90.0° |
| OAO | CAA | CAB | H7 | 119.8° | 120.1° |
| OAO | CAA | CAB | H8 | 119.8° | 120.0° |
| CAA | OAO | CAP | CAU | 24.1° | 0.0° |
| CAA | OAO | CAP | CAQ | 153.0° | 179.4° |
| OAO | CAA | CAB | OAD | 166.4° | 0.1° |
| OAO | CAA | CAB | NAC | 14.0° | 180.0° |
| OAO | CAA | H7 | H8 | 120.6° | 120.0° |
| CAP | OAO | CAA | CAB | 153.3° | 180.0° |
| OAO | CAP | CAU | CAQ | 176.9° | 179.4° |
| OAO | CAP | CAU | CAT | 179.9° | 180.0° |
| OAO | CAP | CAQ | PAV | 1.9° | 0.2° |
| OAO | CAP | CAQ | CAR | 179.0° | 180.0° |
| OAO | CAP | CAU | H6 | 0.1° | 0.6° |
| CAP | OAO | CAA | H7 | 86.9° | 60.0° |
| CAP | OAO | CAA | H8 | 33.5° | 60.1° |
| CAA | CAB | OAD | NAC | 179.6° | 179.9° |
| CAA | CAB | NAC | CAE | 176.9° | 175.4° |
| CAB | CAA | H7 | H8 | 120.6° | 119.9° |
| CAA | CAB | NAC | H9 | 3.1° | 4.5° |
| CAP | CAU | CAT | H6 | 180.0° | 179.4° |
| CAP | CAU | CAT | CAS | 0.9° | 0.3° |
| CAU | CAP | CAQ | PAV | 178.9° | 179.7° |
| CAU | CAP | CAQ | CAR | 4.0° | 0.5° |
| CAP | CAU | CAT | H5 | 179.1° | 179.6° |
| CAT | CAU | CAP | CAQ | 3.0° | 0.6° |
| CAU | CAT | CAS | H5 | 180.0° | 180.0° |
| CAU | CAT | CAS | CAR | 0.2° | 0.0° |
| CAU | CAT | CAS | H4 | 179.8° | 179.9° |
| CAP | CAQ | PAV | CAR | 177.1° | 179.8° |
| CAP | CAQ | PAV | OAW | 175.0° | 90.3° |
| CAP | CAQ | PAV | OAX | 60.5° | 29.7° |
| CAP | CAQ | CAR | CAS | 2.7° | 0.2° |
| CAP | CAQ | CAR | H3 | 177.2° | 179.8° |
| CAQ | CAP | CAU | H6 | 177.0° | 180.0° |
| CAG | CAF | CAE | H10 | 180.0° | 180.0° |
| CAG | CAF | CAE | NAC | 179.7° | 180.0° |
| CAG | CAF | CAE | CAJ | 1.3° | 0.2° |
| CAF | CAG | CAH | CAI | 2.9° | 0.0° |
| CAF | CAG | CAH | H11 | 177.1° | 180.0° |
| CAF | CAE | NAC | CAB | 48.5° | 144.6° |
| CAE | CAF | CAG | CAH | 2.6° | 0.0° |
| CAF | CAE | NAC | CAJ | 179.0° | 179.8° |
| CAF | CAE | CAJ | CAI | 0.4° | 0.5° |
| CAF | CAE | NAC | H9 | 131.5° | 35.3° |
| CAF | CAE | CAJ | H13 | 179.6° | 179.7° |
| OAD | CAB | NAC | CAE | 2.7° | 4.7° |
| OAD | CAB | CAA | H7 | 46.6° | 120.0° |
| OAD | CAB | CAA | H8 | 73.8° | 120.0° |
| OAD | CAB | NAC | H9 | 177.3° | 175.4° |
| CAB | NAC | CAE | H9 | 180.0° | 179.9° |
| CAB | NAC | CAE | CAJ | 132.5° | 35.2° |
| NAC | CAB | CAA | H7 | 133.8° | 59.9° |
| NAC | CAB | CAA | H8 | 105.8° | 60.0° |
| CAT | CAS | CAR | CAQ | 0.7° | 0.1° |
| CAT | CAS | CAR | H4 | 180.0° | 179.9° |
| CAT | CAS | CAR | H3 | 179.3° | 179.9° |
| CAS | CAT | CAU | H6 | 179.1° | 179.7° |
| CAQ | PAV | OAW | OAX | 117.2° | 120.0° |
| PAV | CAQ | CAR | CAS | 179.8° | 180.0° |
| CAQ | PAV | OAW | H1 | 117.5° | 180.0° |
| CAQ | PAV | OAX | H2 | 117.5° | 60.0° |
| PAV | CAQ | CAR | H3 | 0.1° | 0.0° |
| CAR | CAQ | PAV | OAW | 7.9° | 89.9° |
| CAR | CAQ | PAV | OAX | 122.4° | 150.0° |
| CAQ | CAR | CAS | H3 | 180.0° | 180.0° |
| CAQ | CAR | CAS | H4 | 179.3° | 180.0° |
| OAW | PAV | OAX | H2 | 127.4° | 60.0° |
| OAX | PAV | OAW | H1 | 125.2° | 59.9° |
| CAG | CAH | CAI | H11 | 180.0° | 180.0° |
| CAG | CAH | CAI | CAJ | 2.0° | 0.3° |
| CAH | CAG | CAF | H10 | 177.4° | 180.0° |
| CAG | CAH | CAI | H12 | 178.0° | 180.0° |
| NAC | CAE | CAJ | CAI | 179.4° | 179.7° |
| NAC | CAE | CAF | H10 | 0.3° | 0.0° |
| NAC | CAE | CAJ | H13 | 0.6° | 0.0° |
| CAR | CAS | CAT | H5 | 179.8° | 180.0° |
| CAE | CAJ | CAI | CAH | 0.7° | 0.6° |
| CAE | CAJ | CAI | H13 | 180.0° | 179.7° |
| CAJ | CAE | NAC | H9 | 47.5° | 144.9° |
| CAJ | CAE | CAF | H10 | 178.7° | 179.7° |
| CAE | CAJ | CAI | H12 | 179.3° | 179.7° |
| CAH | CAI | CAJ | H12 | 180.0° | 179.7° |
| CAH | CAI | CAJ | H13 | 179.3° | 179.7° |
| CAJ | CAI | CAH | H11 | 178.0° | 179.7° |
| H3 | CAR | CAS | H4 | 0.8° | 0.0° |
| H4 | CAS | CAT | H5 | 0.2° | 0.1° |
| H5 | CAT | CAU | H6 | 0.9° | 0.3° |
| H11 | CAH | CAI | H12 | 2.0° | 0.0° |
| H12 | CAI | CAJ | H13 | 0.8° | 0.0° |
