BUR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | NAS | sing | 1.32Å | 1.41Å | Aromatic |
| CAJ | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| NAS | CBC | doub | 1.32Å | 1.36Å | Aromatic |
| CAL | CBA | doub | 1.39Å | 1.41Å | Aromatic |
| CAH | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CBB | sing | 1.39Å | 1.41Å | Aromatic |
| CBC | CBA | sing | 1.39Å | 1.40Å | Aromatic |
| CBC | OAV | sing | 1.36Å | 1.38Å | |
| CBA | NAU | sing | 1.40Å | 1.36Å | |
| CAI | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CBB | OAV | sing | 1.36Å | 1.38Å | |
| CBB | CBD | doub | 1.39Å | 1.43Å | Aromatic |
| NAU | CAX | sing | 1.35Å | 1.37Å | |
| OAD | CAX | doub | 1.22Å | 1.24Å | |
| CAN | CBD | sing | 1.38Å | 1.41Å | Aromatic |
| CBD | CBE | sing | 1.51Å | 1.46Å | |
| CAX | NAT | sing | 1.35Å | 1.37Å | |
| CAB | CBE | sing | 1.53Å | 1.54Å | |
| CBE | CAA | sing | 1.53Å | 1.55Å | |
| CBE | CAC | sing | 1.53Å | 1.54Å | |
| NAT | CAY | sing | 1.40Å | 1.36Å | |
| CAP | CAY | doub | 1.39Å | 1.41Å | Aromatic |
| CAP | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | CAO | sing | 1.39Å | 1.41Å | Aromatic |
| CAR | CAZ | doub | 1.39Å | 1.40Å | Aromatic |
| CAO | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
| FAG | CBF | sing | 1.40Å | 1.42Å | |
| CAZ | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
| CAZ | OAW | sing | 1.36Å | 1.37Å | |
| OAW | CBF | sing | 1.43Å | 1.46Å | |
| CBF | FAE | sing | 1.40Å | 1.36Å | |
| CBF | FAF | sing | 1.40Å | 1.33Å | |
| CAQ | H1 | sing | 1.08Å | 1.08Å | |
| CAO | H2 | sing | 1.08Å | 1.08Å | |
| CAR | H3 | sing | 1.08Å | 1.08Å | |
| CAP | H4 | sing | 1.08Å | 1.08Å | |
| NAT | H5 | sing | 0.97Å | 1.00Å | |
| NAU | H6 | sing | 0.97Å | 1.00Å | |
| CAL | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| CAM | H10 | sing | 1.08Å | 1.08Å | |
| CAH | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAN | H13 | sing | 1.08Å | 1.08Å | |
| CAC | H14 | sing | 1.09Å | 1.10Å | |
| CAC | H15 | sing | 1.09Å | 1.10Å | |
| CAC | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAB | H20 | sing | 1.09Å | 1.10Å | |
| CAB | H21 | sing | 1.09Å | 1.10Å | |
| CAB | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | CAK | NAS | 119.1° | 121.0° |
| CAK | CAJ | CAL | 119.3° | 119.4° |
| CAK | CAJ | H8 | 120.3° | 120.3° |
| CAJ | CAK | H9 | 120.4° | 119.5° |
| CAK | NAS | CBC | 121.4° | 121.7° |
| NAS | CAK | H9 | 120.4° | 119.6° |
| CAJ | CAL | CBA | 120.8° | 118.4° |
| CAJ | CAL | H7 | 119.6° | 120.8° |
| CAL | CAJ | H8 | 120.3° | 120.3° |
| NAS | CBC | CBA | 120.6° | 120.6° |
| NAS | CBC | OAV | 123.5° | 119.7° |
| CAL | CBA | CBC | 118.7° | 119.0° |
| CAL | CBA | NAU | 125.6° | 120.5° |
| CBA | CAL | H7 | 119.6° | 120.8° |
| CAM | CAH | CAI | 119.7° | 120.1° |
| CAH | CAM | CBB | 120.9° | 119.9° |
| CAH | CAM | H10 | 119.6° | 120.1° |
| CAM | CAH | H11 | 120.2° | 119.9° |
| CAH | CAI | CAN | 119.5° | 120.1° |
| CAI | CAH | H11 | 120.2° | 120.0° |
| CAH | CAI | H12 | 120.2° | 119.9° |
| CAM | CBB | OAV | 121.0° | 120.0° |
| CAM | CBB | CBD | 120.4° | 119.9° |
| CBB | CAM | H10 | 119.5° | 120.0° |
| CBA | CBC | OAV | 115.9° | 119.7° |
| CBC | CBA | NAU | 115.7° | 120.5° |
| CBC | OAV | CBB | 121.6° | 118.0° |
| CBA | NAU | CAX | 123.9° | 120.0° |
| CBA | NAU | H6 | 118.1° | 120.0° |
| CAI | CAN | CBD | 122.9° | 120.1° |
| CAN | CAI | H12 | 120.3° | 119.9° |
| CAI | CAN | H13 | 118.5° | 120.0° |
| OAV | CBB | CBD | 118.4° | 120.1° |
| CBB | CBD | CAN | 116.5° | 119.9° |
| CBB | CBD | CBE | 125.1° | 120.0° |
| NAU | CAX | OAD | 121.6° | 120.0° |
| NAU | CAX | NAT | 115.8° | 120.0° |
| CAX | NAU | H6 | 118.1° | 120.0° |
| OAD | CAX | NAT | 122.4° | 120.0° |
| CAN | CBD | CBE | 118.4° | 120.0° |
| CBD | CAN | H13 | 118.6° | 119.9° |
| CBD | CBE | CAB | 111.2° | 109.5° |
| CBD | CBE | CAA | 112.1° | 109.5° |
| CBD | CBE | CAC | 112.0° | 109.5° |
| CAX | NAT | CAY | 125.5° | 120.0° |
| CAX | NAT | H5 | 117.2° | 120.1° |
| CAB | CBE | CAA | 106.2° | 109.4° |
| CAB | CBE | CAC | 108.4° | 109.5° |
| CBE | CAB | H20 | 109.5° | 109.4° |
| CBE | CAB | H21 | 109.5° | 109.5° |
| CBE | CAB | H22 | 109.5° | 109.5° |
| CAA | CBE | CAC | 106.7° | 109.5° |
| CBE | CAA | H17 | 109.5° | 109.5° |
| CBE | CAA | H18 | 109.5° | 109.5° |
| CBE | CAA | H19 | 109.5° | 109.4° |
| CBE | CAC | H14 | 109.5° | 109.5° |
| CBE | CAC | H15 | 109.5° | 109.5° |
| CBE | CAC | H16 | 109.4° | 109.4° |
| NAT | CAY | CAP | 124.9° | 120.1° |
| NAT | CAY | CAO | 117.2° | 120.0° |
| CAY | NAT | H5 | 117.3° | 119.9° |
| CAY | CAP | CAR | 121.3° | 120.0° |
| CAP | CAY | CAO | 117.8° | 120.0° |
| CAY | CAP | H4 | 119.3° | 120.0° |
| CAP | CAR | CAZ | 120.1° | 120.0° |
| CAP | CAR | H3 | 120.0° | 120.0° |
| CAR | CAP | H4 | 119.4° | 120.0° |
| CAY | CAO | CAQ | 121.4° | 120.0° |
| CAY | CAO | H2 | 119.3° | 120.1° |
| CAR | CAZ | CAQ | 119.4° | 120.1° |
| CAR | CAZ | OAW | 120.2° | 120.0° |
| CAZ | CAR | H3 | 120.0° | 120.0° |
| CAO | CAQ | CAZ | 120.0° | 120.0° |
| CAO | CAQ | H1 | 120.0° | 120.0° |
| CAQ | CAO | H2 | 119.3° | 119.9° |
| FAG | CBF | OAW | 111.4° | 109.5° |
| FAG | CBF | FAE | 109.1° | 109.5° |
| FAG | CBF | FAF | 109.4° | 109.4° |
| CAQ | CAZ | OAW | 120.4° | 120.0° |
| CAZ | CAQ | H1 | 120.0° | 120.0° |
| CAZ | OAW | CBF | 116.6° | 117.0° |
| OAW | CBF | FAE | 111.1° | 109.5° |
| OAW | CBF | FAF | 108.4° | 109.5° |
| FAE | CBF | FAF | 107.3° | 109.5° |
| H14 | CAC | H15 | 109.5° | 109.5° |
| H14 | CAC | H16 | 109.5° | 109.5° |
| H15 | CAC | H16 | 109.5° | 109.5° |
| H17 | CAA | H18 | 109.5° | 109.5° |
| H17 | CAA | H19 | 109.5° | 109.5° |
| H18 | CAA | H19 | 109.4° | 109.5° |
| H20 | CAB | H21 | 109.4° | 109.5° |
| H20 | CAB | H22 | 109.5° | 109.4° |
| H21 | CAB | H22 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | CAK | NAS | H9 | 180.0° | 180.0° |
| CAK | CAJ | CAL | H8 | 180.0° | 180.0° |
| CAJ | CAK | NAS | CBC | 1.7° | 0.3° |
| CAK | CAJ | CAL | CBA | 0.3° | 0.0° |
| CAK | CAJ | CAL | H7 | 179.7° | 180.0° |
| NAS | CAK | CAJ | CAL | 0.7° | 0.0° |
| CAK | NAS | CBC | CBA | 2.2° | 0.6° |
| CAK | NAS | CBC | OAV | 178.9° | 180.0° |
| NAS | CAK | CAJ | H8 | 179.3° | 180.0° |
| CAJ | CAL | CBA | H7 | 180.0° | 179.9° |
| CAJ | CAL | CBA | CBC | 0.7° | 0.3° |
| CAJ | CAL | CBA | NAU | 178.3° | 180.0° |
| CAL | CAJ | CAK | H9 | 179.3° | 180.0° |
| NAS | CBC | CBA | CAL | 1.7° | 0.6° |
| NAS | CBC | CBA | OAV | 179.0° | 179.5° |
| NAS | CBC | CBA | NAU | 177.5° | 179.7° |
| NAS | CBC | OAV | CBB | 20.9° | 4.9° |
| CBC | NAS | CAK | H9 | 178.3° | 179.7° |
| CAL | CBA | CBC | NAU | 179.2° | 179.7° |
| CAL | CBA | CBC | OAV | 179.3° | 180.0° |
| CAL | CBA | NAU | CAX | 31.6° | 31.3° |
| CAL | CBA | NAU | H6 | 148.5° | 148.7° |
| CBA | CAL | CAJ | H8 | 179.8° | 180.0° |
| CAM | CAH | CAI | H11 | 180.0° | 180.0° |
| CAH | CAM | CBB | H10 | 180.0° | 180.0° |
| CAM | CAH | CAI | CAN | 1.4° | 0.0° |
| CAH | CAM | CBB | OAV | 179.5° | 180.0° |
| CAH | CAM | CBB | CBD | 4.6° | 0.2° |
| CAM | CAH | CAI | H12 | 178.6° | 179.9° |
| CAI | CAH | CAM | CBB | 3.5° | 0.0° |
| CAH | CAI | CAN | H12 | 180.0° | 179.9° |
| CAH | CAI | CAN | CBD | 0.4° | 0.3° |
| CAI | CAH | CAM | H10 | 176.5° | 180.0° |
| CAH | CAI | CAN | H13 | 179.6° | 179.9° |
| CAM | CBB | OAV | CBC | 48.6° | 78.7° |
| CAM | CBB | OAV | CBD | 176.0° | 179.8° |
| CAM | CBB | CBD | CAN | 3.4° | 0.4° |
| CAM | CBB | CBD | CBE | 178.7° | 179.7° |
| CBB | CAM | CAH | H11 | 176.4° | 180.0° |
| CBA | CBC | OAV | CBB | 160.2° | 175.7° |
| CBC | CBA | NAU | CAX | 147.5° | 148.4° |
| CBC | CBA | NAU | H6 | 32.5° | 31.6° |
| CBC | CBA | CAL | H7 | 179.3° | 179.8° |
| OAV | CBC | CBA | NAU | 1.5° | 0.3° |
| CBC | OAV | CBB | CBD | 135.4° | 101.1° |
| CBA | NAU | CAX | H6 | 180.0° | 180.0° |
| CBA | NAU | CAX | OAD | 10.8° | 5.4° |
| CBA | NAU | CAX | NAT | 174.5° | 174.6° |
| NAU | CBA | CAL | H7 | 1.7° | 0.1° |
| CAI | CAN | CBD | CBB | 1.4° | 0.5° |
| CAI | CAN | CBD | H13 | 180.0° | 179.8° |
| CAI | CAN | CBD | CBE | 179.4° | 179.7° |
| CAN | CAI | CAH | H11 | 178.6° | 180.0° |
| OAV | CBB | CBD | CAN | 179.4° | 179.8° |
| OAV | CBB | CBD | CBE | 2.7° | 0.0° |
| OAV | CBB | CAM | H10 | 0.5° | 0.0° |
| CBB | CBD | CAN | CBE | 178.0° | 179.8° |
| CBB | CBD | CBE | CAB | 59.3° | 64.8° |
| CBB | CBD | CBE | CAA | 178.0° | 175.2° |
| CBB | CBD | CBE | CAC | 62.1° | 55.2° |
| CBD | CBB | CAM | H10 | 175.4° | 179.8° |
| CBB | CBD | CAN | H13 | 178.6° | 179.7° |
| NAU | CAX | OAD | NAT | 174.3° | 180.0° |
| NAU | CAX | NAT | CAY | 179.6° | 174.4° |
| NAU | CAX | NAT | H5 | 0.4° | 5.6° |
| OAD | CAX | NAT | CAY | 5.0° | 5.6° |
| OAD | CAX | NAT | H5 | 175.0° | 174.4° |
| OAD | CAX | NAU | H6 | 169.2° | 174.6° |
| CAN | CBD | CBE | CAB | 118.5° | 115.4° |
| CAN | CBD | CBE | CAA | 0.2° | 4.6° |
| CAN | CBD | CBE | CAC | 120.1° | 124.6° |
| CBD | CAN | CAI | H12 | 179.6° | 179.8° |
| CBD | CBE | CAB | CAA | 122.1° | 120.0° |
| CBD | CBE | CAB | CAC | 123.6° | 120.0° |
| CBD | CBE | CAA | CAC | 123.0° | 120.0° |
| CBE | CBD | CAN | H13 | 0.6° | 0.1° |
| CBD | CBE | CAC | H14 | 180.0° | 59.9° |
| CBD | CBE | CAC | H15 | 60.0° | 180.0° |
| CBD | CBE | CAC | H16 | 60.0° | 60.0° |
| CBD | CBE | CAA | H17 | 180.0° | 60.0° |
| CBD | CBE | CAA | H18 | 60.0° | 180.0° |
| CBD | CBE | CAA | H19 | 60.0° | 60.0° |
| CBD | CBE | CAB | H20 | 180.0° | 68.2° |
| CBD | CBE | CAB | H21 | 60.0° | 171.8° |
| CBD | CBE | CAB | H22 | 60.0° | 51.8° |
| CAX | NAT | CAY | H5 | 180.0° | 180.0° |
| CAX | NAT | CAY | CAP | 11.6° | 144.9° |
| CAX | NAT | CAY | CAO | 166.9° | 36.0° |
| NAT | CAX | NAU | H6 | 5.5° | 5.4° |
| CAB | CBE | CAA | CAC | 115.4° | 120.0° |
| CAB | CBE | CAC | H14 | 56.9° | 180.0° |
| CAB | CBE | CAC | H15 | 63.1° | 60.0° |
| CAB | CBE | CAC | H16 | 176.9° | 60.0° |
| CAB | CBE | CAA | H17 | 58.4° | 60.0° |
| CAB | CBE | CAA | H18 | 178.4° | 60.0° |
| CAB | CBE | CAA | H19 | 61.6° | 180.0° |
| CBE | CAB | H20 | H21 | 120.0° | 120.0° |
| CBE | CAB | H20 | H22 | 120.0° | 119.9° |
| CBE | CAB | H21 | H22 | 120.0° | 120.0° |
| CAA | CBE | CAC | H14 | 57.0° | 60.0° |
| CAA | CBE | CAC | H15 | 177.0° | 60.0° |
| CAA | CBE | CAC | H16 | 63.0° | 180.0° |
| CBE | CAA | H17 | H18 | 120.0° | 120.1° |
| CBE | CAA | H17 | H19 | 120.0° | 120.0° |
| CBE | CAA | H18 | H19 | 120.0° | 120.0° |
| CAA | CBE | CAB | H20 | 57.8° | 171.9° |
| CAA | CBE | CAB | H21 | 62.1° | 51.9° |
| CAA | CBE | CAB | H22 | 177.9° | 68.2° |
| CBE | CAC | H14 | H15 | 120.0° | 120.0° |
| CBE | CAC | H14 | H16 | 120.0° | 120.0° |
| CBE | CAC | H15 | H16 | 120.0° | 120.0° |
| CAC | CBE | CAA | H17 | 57.1° | 180.0° |
| CAC | CBE | CAA | H18 | 63.0° | 60.0° |
| CAC | CBE | CAA | H19 | 177.1° | 60.0° |
| CAC | CBE | CAB | H20 | 56.4° | 51.9° |
| CAC | CBE | CAB | H21 | 176.4° | 68.1° |
| CAC | CBE | CAB | H22 | 63.6° | 171.8° |
| NAT | CAY | CAP | CAO | 178.5° | 179.2° |
| NAT | CAY | CAP | CAR | 178.0° | 180.0° |
| NAT | CAY | CAO | CAQ | 178.5° | 179.7° |
| NAT | CAY | CAO | H2 | 1.5° | 0.3° |
| NAT | CAY | CAP | H4 | 2.0° | 0.8° |
| CAY | CAP | CAR | H4 | 180.0° | 179.2° |
| CAY | CAP | CAR | CAZ | 1.7° | 0.6° |
| CAP | CAY | CAO | CAQ | 0.1° | 0.5° |
| CAP | CAY | CAO | H2 | 179.9° | 179.4° |
| CAY | CAP | CAR | H3 | 178.4° | 179.5° |
| CAP | CAY | NAT | H5 | 168.4° | 35.1° |
| CAR | CAP | CAY | CAO | 0.5° | 0.8° |
| CAP | CAR | CAZ | H3 | 180.0° | 180.0° |
| CAP | CAR | CAZ | CAQ | 2.4° | 0.0° |
| CAP | CAR | CAZ | OAW | 179.9° | 179.8° |
| CAY | CAO | CAQ | H2 | 180.0° | 180.0° |
| CAY | CAO | CAQ | CAZ | 0.9° | 0.0° |
| CAY | CAO | CAQ | H1 | 179.1° | 180.0° |
| CAO | CAY | CAP | H4 | 179.5° | 180.0° |
| CAO | CAY | NAT | H5 | 13.1° | 144.1° |
| CAR | CAZ | CAQ | CAO | 2.0° | 0.2° |
| CAR | CAZ | CAQ | OAW | 177.5° | 179.8° |
| CAR | CAZ | OAW | CBF | 88.9° | 0.2° |
| CAR | CAZ | CAQ | H1 | 178.0° | 179.7° |
| CAZ | CAR | CAP | H4 | 178.3° | 179.7° |
| CAO | CAQ | CAZ | H1 | 180.0° | 180.0° |
| CAO | CAQ | CAZ | OAW | 179.5° | 180.0° |
| FAG | CBF | OAW | CAZ | 58.3° | 180.0° |
| FAG | CBF | OAW | FAE | 121.9° | 120.0° |
| FAG | CBF | OAW | FAF | 120.4° | 119.9° |
| FAG | CBF | FAE | FAF | 118.5° | 119.9° |
| CAQ | CAZ | OAW | CBF | 93.6° | 180.0° |
| CAZ | CAQ | CAO | H2 | 179.1° | 180.0° |
| CAQ | CAZ | CAR | H3 | 177.6° | 180.0° |
| CAZ | OAW | CBF | FAE | 63.5° | 60.0° |
| CAZ | OAW | CBF | FAF | 178.8° | 60.1° |
| OAW | CAZ | CAQ | H1 | 0.5° | 0.1° |
| OAW | CAZ | CAR | H3 | 0.1° | 0.2° |
| OAW | CBF | FAE | FAF | 118.4° | 120.0° |
| H1 | CAQ | CAO | H2 | 0.9° | 0.0° |
| H3 | CAR | CAP | H4 | 1.7° | 0.3° |
| H7 | CAL | CAJ | H8 | 0.2° | 0.1° |
| H8 | CAJ | CAK | H9 | 0.7° | 0.0° |
| H10 | CAM | CAH | H11 | 3.5° | 0.0° |
| H11 | CAH | CAI | H12 | 1.4° | 0.1° |
| H12 | CAI | CAN | H13 | 0.4° | 0.0° |
| H14 | CAC | H15 | H16 | 120.0° | 120.0° |
| H17 | CAA | H18 | H19 | 120.0° | 120.0° |
| H20 | CAB | H21 | H22 | 120.0° | 120.0° |
