506
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAD | CAV | sing | 1.35Å | 1.31Å | |
| CAV | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAO | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| CAO | CBA | doub | 1.38Å | 1.40Å | Aromatic |
| OAC | CBC | doub | 1.22Å | 1.23Å | |
| CAJ | CAZ | doub | 1.39Å | 1.42Å | Aromatic |
| CBA | CAZ | sing | 1.39Å | 1.45Å | Aromatic |
| CBA | OAT | sing | 1.36Å | 1.41Å | |
| NAS | CBC | sing | 1.35Å | 1.41Å | |
| NAS | CBB | sing | 1.35Å | 1.42Å | |
| CBC | NBD | sing | 1.35Å | 1.44Å | |
| CAZ | OAU | sing | 1.36Å | 1.41Å | |
| OAT | CAQ | sing | 1.43Å | 1.46Å | |
| OAB | CBB | doub | 1.22Å | 1.23Å | |
| CBB | CAK | sing | 1.42Å | 1.46Å | |
| NBD | CAR | sing | 1.47Å | 1.50Å | |
| NBD | CAL | sing | 1.37Å | 1.40Å | |
| OAU | CAY | sing | 1.36Å | 1.39Å | |
| CAQ | CAR | sing | 1.53Å | 1.56Å | |
| CAK | CAL | doub | 1.35Å | 1.35Å | |
| CAN | CAY | doub | 1.39Å | 1.40Å | Aromatic |
| CAN | CAW | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | CAP | sing | 1.38Å | 1.41Å | Aromatic |
| FAE | CAW | sing | 1.35Å | 1.33Å | |
| CAW | CAM | doub | 1.38Å | 1.41Å | Aromatic |
| CAP | CAX | doub | 1.40Å | 1.41Å | Aromatic |
| CAM | CAX | sing | 1.40Å | 1.40Å | Aromatic |
| CAX | CAH | sing | 1.47Å | 1.50Å | |
| CAH | CAG | doub | 1.35Å | 1.36Å | |
| CAG | CAF | sing | 1.43Å | 1.41Å | |
| CAF | NAA | trip | 1.14Å | 1.18Å | |
| NAS | H1 | sing | 0.97Å | 1.00Å | |
| CAK | H2 | sing | 1.08Å | 1.08Å | |
| CAL | H3 | sing | 1.08Å | 1.08Å | |
| CAR | H4 | sing | 1.09Å | 1.10Å | |
| CAR | H5 | sing | 1.09Å | 1.10Å | |
| CAQ | H6 | sing | 1.09Å | 1.10Å | |
| CAQ | H7 | sing | 1.09Å | 1.10Å | |
| CAO | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAP | H11 | sing | 1.08Å | 1.08Å | |
| CAN | H12 | sing | 1.08Å | 1.08Å | |
| CAM | H13 | sing | 1.08Å | 1.08Å | |
| CAH | H14 | sing | 1.08Å | 1.08Å | |
| CAG | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAD | CAV | CAI | 119.4° | 119.9° |
| FAD | CAV | CAO | 120.0° | 120.0° |
| CAI | CAV | CAO | 120.6° | 120.1° |
| CAV | CAI | CAJ | 118.1° | 120.1° |
| CAV | CAI | H9 | 120.9° | 119.9° |
| CAV | CAO | CBA | 122.3° | 120.0° |
| CAV | CAO | H8 | 118.8° | 120.0° |
| CAI | CAJ | CAZ | 124.0° | 120.0° |
| CAJ | CAI | H9 | 121.0° | 120.0° |
| CAI | CAJ | H10 | 118.0° | 120.0° |
| CAO | CBA | CAZ | 117.8° | 119.9° |
| CAO | CBA | OAT | 114.4° | 120.1° |
| CBA | CAO | H8 | 118.9° | 120.1° |
| OAC | CBC | NAS | 119.8° | 119.5° |
| OAC | CBC | NBD | 121.9° | 119.6° |
| CAJ | CAZ | CBA | 117.2° | 119.9° |
| CAJ | CAZ | OAU | 118.7° | 120.0° |
| CAZ | CAJ | H10 | 118.0° | 120.0° |
| CAZ | CBA | OAT | 127.7° | 120.1° |
| CBA | CAZ | OAU | 124.1° | 120.0° |
| CBA | OAT | CAQ | 121.7° | 117.0° |
| CBC | NAS | CBB | 124.0° | 120.3° |
| NAS | CBC | NBD | 118.3° | 120.9° |
| CBC | NAS | H1 | 118.0° | 119.9° |
| NAS | CBB | OAB | 119.2° | 120.3° |
| NAS | CBB | CAK | 114.7° | 119.4° |
| CBB | NAS | H1 | 118.0° | 119.9° |
| CBC | NBD | CAR | 120.1° | 119.7° |
| CBC | NBD | CAL | 118.6° | 120.7° |
| CAZ | OAU | CAY | 121.6° | 118.0° |
| OAT | CAQ | CAR | 107.4° | 109.4° |
| OAT | CAQ | H6 | 110.0° | 109.5° |
| OAT | CAQ | H7 | 110.0° | 109.5° |
| OAB | CBB | CAK | 126.2° | 120.3° |
| CBB | CAK | CAL | 122.0° | 119.1° |
| CBB | CAK | H2 | 119.0° | 120.4° |
| CAR | NBD | CAL | 121.3° | 119.7° |
| NBD | CAR | CAQ | 114.6° | 109.5° |
| NBD | CAR | H4 | 108.1° | 109.4° |
| NBD | CAR | H5 | 108.2° | 109.5° |
| NBD | CAL | CAK | 122.4° | 119.6° |
| NBD | CAL | H3 | 118.8° | 120.2° |
| OAU | CAY | CAN | 121.0° | 120.0° |
| OAU | CAY | CAP | 119.2° | 120.0° |
| CAQ | CAR | H4 | 108.2° | 109.5° |
| CAQ | CAR | H5 | 108.2° | 109.5° |
| CAR | CAQ | H6 | 110.0° | 109.5° |
| CAR | CAQ | H7 | 110.0° | 109.4° |
| CAL | CAK | H2 | 119.0° | 120.4° |
| CAK | CAL | H3 | 118.8° | 120.2° |
| CAY | CAN | CAW | 117.3° | 120.3° |
| CAN | CAY | CAP | 119.8° | 120.1° |
| CAY | CAN | H12 | 121.4° | 119.8° |
| CAN | CAW | FAE | 117.6° | 119.9° |
| CAN | CAW | CAM | 123.3° | 120.2° |
| CAW | CAN | H12 | 121.4° | 119.9° |
| CAY | CAP | CAX | 122.6° | 119.8° |
| CAY | CAP | H11 | 118.7° | 120.2° |
| FAE | CAW | CAM | 119.1° | 119.9° |
| CAW | CAM | CAX | 119.2° | 119.9° |
| CAW | CAM | H13 | 120.4° | 120.1° |
| CAP | CAX | CAM | 117.8° | 119.7° |
| CAP | CAX | CAH | 122.8° | 120.1° |
| CAX | CAP | H11 | 118.7° | 120.0° |
| CAM | CAX | CAH | 119.4° | 120.2° |
| CAX | CAM | H13 | 120.4° | 120.0° |
| CAX | CAH | CAG | 127.9° | 120.0° |
| CAX | CAH | H14 | 116.1° | 120.0° |
| CAH | CAG | CAF | 128.6° | 119.9° |
| CAG | CAH | H14 | 116.1° | 120.1° |
| CAH | CAG | H15 | 115.7° | 120.0° |
| CAG | CAF | NAA | 178.7° | 179.9° |
| CAF | CAG | H15 | 115.7° | 120.0° |
| H4 | CAR | H5 | 109.5° | 109.5° |
| H6 | CAQ | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAD | CAV | CAI | CAO | 179.9° | 180.0° |
| FAD | CAV | CAI | CAJ | 179.9° | 180.0° |
| FAD | CAV | CAO | CBA | 180.0° | 179.9° |
| FAD | CAV | CAO | H8 | 0.0° | 0.0° |
| FAD | CAV | CAI | H9 | 0.1° | 0.0° |
| CAV | CAI | CAJ | H9 | 180.0° | 180.0° |
| CAI | CAV | CAO | CBA | 0.1° | 0.0° |
| CAV | CAI | CAJ | CAZ | 0.1° | 0.0° |
| CAI | CAV | CAO | H8 | 179.9° | 180.0° |
| CAV | CAI | CAJ | H10 | 179.9° | 180.0° |
| CAO | CAV | CAI | CAJ | 0.2° | 0.0° |
| CAV | CAO | CBA | H8 | 180.0° | 180.0° |
| CAV | CAO | CBA | CAZ | 0.3° | 0.0° |
| CAV | CAO | CBA | OAT | 179.5° | 179.7° |
| CAO | CAV | CAI | H9 | 179.8° | 180.0° |
| CAI | CAJ | CAZ | H10 | 180.0° | 180.0° |
| CAI | CAJ | CAZ | CBA | 0.5° | 0.0° |
| CAI | CAJ | CAZ | OAU | 179.6° | 179.7° |
| CAO | CBA | CAZ | CAJ | 0.6° | 0.0° |
| CAO | CBA | CAZ | OAT | 179.0° | 179.8° |
| CAO | CBA | CAZ | OAU | 179.7° | 179.8° |
| CAO | CBA | OAT | CAQ | 167.2° | 0.2° |
| OAC | CBC | NAS | NBD | 179.9° | 179.8° |
| OAC | CBC | NAS | CBB | 179.9° | 180.0° |
| OAC | CBC | NBD | CAR | 0.1° | 0.0° |
| OAC | CBC | NBD | CAL | 180.0° | 179.7° |
| OAC | CBC | NAS | H1 | 0.1° | 0.0° |
| CAJ | CAZ | CBA | OAU | 179.1° | 179.7° |
| CAJ | CAZ | CBA | OAT | 179.6° | 179.7° |
| CAJ | CAZ | OAU | CAY | 85.1° | 0.6° |
| CAZ | CAJ | CAI | H9 | 179.9° | 180.0° |
| CAZ | CBA | OAT | CAQ | 13.8° | 180.0° |
| CBA | CAZ | OAU | CAY | 95.9° | 179.1° |
| CAZ | CBA | CAO | H8 | 179.7° | 180.0° |
| CBA | CAZ | CAJ | H10 | 179.5° | 180.0° |
| OAT | CBA | CAZ | OAU | 1.4° | 0.0° |
| CBA | OAT | CAQ | CAR | 149.7° | 180.0° |
| CBA | OAT | CAQ | H6 | 30.0° | 60.0° |
| CBA | OAT | CAQ | H7 | 90.6° | 60.0° |
| OAT | CBA | CAO | H8 | 0.6° | 0.2° |
| CBC | NAS | CBB | H1 | 180.0° | 180.0° |
| CBC | NAS | CBB | OAB | 179.9° | 180.0° |
| CBC | NAS | CBB | CAK | 0.3° | 0.0° |
| NAS | CBC | NBD | CAR | 180.0° | 179.7° |
| NAS | CBC | NBD | CAL | 0.2° | 0.5° |
| CBB | NAS | CBC | NBD | 0.2° | 0.2° |
| NAS | CBB | OAB | CAK | 179.5° | 180.0° |
| NAS | CBB | CAK | CAL | 0.3° | 0.0° |
| NAS | CBB | CAK | H2 | 179.7° | 180.0° |
| CBC | NBD | CAR | CAL | 179.8° | 179.8° |
| CBC | NBD | CAR | CAQ | 108.9° | 90.0° |
| CBC | NBD | CAL | CAK | 0.2° | 0.5° |
| NBD | CBC | NAS | H1 | 179.8° | 179.7° |
| CBC | NBD | CAL | H3 | 179.8° | 179.8° |
| CBC | NBD | CAR | H4 | 11.9° | 150.0° |
| CBC | NBD | CAR | H5 | 130.4° | 30.0° |
| CAZ | OAU | CAY | CAN | 17.5° | 90.2° |
| CAZ | OAU | CAY | CAP | 163.0° | 90.0° |
| OAU | CAZ | CAJ | H10 | 0.4° | 0.3° |
| OAT | CAQ | CAR | NBD | 98.0° | 65.0° |
| OAT | CAQ | CAR | H6 | 119.7° | 120.0° |
| OAT | CAQ | CAR | H7 | 119.7° | 120.0° |
| OAT | CAQ | CAR | H4 | 22.8° | 55.0° |
| OAT | CAQ | CAR | H5 | 141.3° | 175.0° |
| OAT | CAQ | H6 | H7 | 120.9° | 120.1° |
| OAB | CBB | CAK | CAL | 179.8° | 180.0° |
| OAB | CBB | NAS | H1 | 0.1° | 0.0° |
| OAB | CBB | CAK | H2 | 0.2° | 0.0° |
| CBB | CAK | CAL | NBD | 0.2° | 0.2° |
| CBB | CAK | CAL | H2 | 180.0° | 180.0° |
| CAK | CBB | NAS | H1 | 179.7° | 180.0° |
| CBB | CAK | CAL | H3 | 179.8° | 180.0° |
| NBD | CAR | CAQ | H4 | 120.7° | 120.0° |
| NBD | CAR | CAQ | H5 | 120.7° | 120.0° |
| CAR | NBD | CAL | CAK | 180.0° | 179.8° |
| CAR | NBD | CAL | H3 | 0.0° | 0.0° |
| NBD | CAR | H4 | H5 | 117.6° | 120.0° |
| NBD | CAR | CAQ | H6 | 21.7° | 175.0° |
| NBD | CAR | CAQ | H7 | 142.3° | 55.0° |
| CAL | NBD | CAR | CAQ | 70.9° | 89.8° |
| NBD | CAL | CAK | H3 | 180.0° | 179.8° |
| NBD | CAL | CAK | H2 | 179.8° | 179.8° |
| CAL | NBD | CAR | H4 | 168.3° | 30.2° |
| CAL | NBD | CAR | H5 | 49.8° | 150.2° |
| OAU | CAY | CAN | CAP | 179.5° | 179.8° |
| OAU | CAY | CAN | CAW | 179.9° | 180.0° |
| OAU | CAY | CAP | CAX | 179.7° | 180.0° |
| OAU | CAY | CAP | H11 | 0.3° | 0.0° |
| OAU | CAY | CAN | H12 | 0.1° | 0.1° |
| CAQ | CAR | H4 | H5 | 117.7° | 120.0° |
| CAR | CAQ | H6 | H7 | 120.9° | 120.0° |
| CAY | CAN | CAW | H12 | 180.0° | 179.9° |
| CAY | CAN | CAW | FAE | 179.8° | 180.0° |
| CAY | CAN | CAW | CAM | 0.3° | 0.0° |
| CAN | CAY | CAP | CAX | 0.2° | 0.2° |
| CAN | CAY | CAP | H11 | 179.8° | 179.8° |
| CAW | CAN | CAY | CAP | 0.3° | 0.2° |
| CAN | CAW | FAE | CAM | 179.9° | 180.0° |
| CAN | CAW | CAM | CAX | 0.1° | 0.3° |
| CAN | CAW | CAM | H13 | 179.9° | 180.0° |
| CAY | CAP | CAX | H11 | 180.0° | 180.0° |
| CAY | CAP | CAX | CAM | 0.1° | 0.0° |
| CAY | CAP | CAX | CAH | 178.7° | 180.0° |
| CAP | CAY | CAN | H12 | 179.7° | 179.7° |
| FAE | CAW | CAM | CAX | 180.0° | 179.7° |
| FAE | CAW | CAN | H12 | 0.2° | 0.0° |
| FAE | CAW | CAM | H13 | 0.0° | 0.0° |
| CAW | CAM | CAX | CAP | 0.1° | 0.2° |
| CAW | CAM | CAX | H13 | 180.0° | 179.8° |
| CAW | CAM | CAX | CAH | 178.8° | 179.8° |
| CAM | CAW | CAN | H12 | 179.7° | 180.0° |
| CAP | CAX | CAM | CAH | 178.6° | 180.0° |
| CAP | CAX | CAH | CAG | 46.6° | 180.0° |
| CAP | CAX | CAM | H13 | 179.9° | 180.0° |
| CAP | CAX | CAH | H14 | 133.4° | 0.0° |
| CAM | CAX | CAH | CAG | 134.8° | 0.0° |
| CAM | CAX | CAP | H11 | 179.9° | 180.0° |
| CAM | CAX | CAH | H14 | 45.1° | 180.0° |
| CAX | CAH | CAG | H14 | 180.0° | 180.0° |
| CAX | CAH | CAG | CAF | 167.9° | 180.0° |
| CAH | CAX | CAP | H11 | 1.3° | 0.0° |
| CAH | CAX | CAM | H13 | 1.2° | 0.0° |
| CAX | CAH | CAG | H15 | 12.0° | 0.0° |
| CAH | CAG | CAF | H15 | 180.0° | 180.0° |
| CAH | CAG | CAF | NAA | 82.6° | 109.2° |
| CAF | CAG | CAH | H14 | 12.1° | 0.0° |
| NAA | CAF | CAG | H15 | 97.5° | 70.9° |
| H2 | CAK | CAL | H3 | 0.2° | 0.0° |
| H4 | CAR | CAQ | H6 | 142.5° | 65.0° |
| H4 | CAR | CAQ | H7 | 96.9° | 175.0° |
| H5 | CAR | CAQ | H6 | 99.0° | 55.0° |
| H5 | CAR | CAQ | H7 | 21.6° | 65.0° |
| H9 | CAI | CAJ | H10 | 0.1° | 0.0° |
| H14 | CAH | CAG | H15 | 167.9° | 180.0° |
