LBU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAP | CAK | doub | 1.22Å | 1.26Å | |
| OAQ | CAL | sing | 1.36Å | 1.36Å | |
| CAK | CAL | sing | 1.46Å | 1.35Å | |
| CAK | OAJ | sing | 1.35Å | 1.36Å | |
| CAZ | OAY | sing | 1.45Å | 1.45Å | |
| CAL | CAM | doub | 1.36Å | 1.36Å | |
| OAY | CAR | sing | 1.34Å | 1.38Å | |
| OAJ | CAI | sing | 1.43Å | 1.48Å | |
| CAM | CAI | sing | 1.51Å | 1.47Å | |
| CAM | CAN | sing | 1.47Å | 1.38Å | |
| CAR | CAI | sing | 1.51Å | 1.44Å | |
| CAR | OAX | doub | 1.21Å | 1.24Å | |
| CAI | CAG | sing | 1.53Å | 1.55Å | |
| CAN | CAW | doub | 1.40Å | 1.42Å | Aromatic |
| CAN | CAS | sing | 1.40Å | 1.42Å | Aromatic |
| CAW | CAV | sing | 1.38Å | 1.43Å | Aromatic |
| CAS | CAT | doub | 1.38Å | 1.42Å | Aromatic |
| CAE | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | CAC | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAF | sing | 1.51Å | 1.44Å | |
| CAV | CAU | doub | 1.39Å | 1.41Å | Aromatic |
| CAT | CAU | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAA | doub | 1.38Å | 1.41Å | Aromatic |
| CAU | OBA | sing | 1.36Å | 1.40Å | |
| CAC | OAO | sing | 1.36Å | 1.37Å | |
| CAC | CAB | doub | 1.39Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAB | H2 | sing | 1.08Å | 1.08Å | |
| OAO | H3 | sing | 0.97Å | 0.95Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAZ | H8 | sing | 1.09Å | 1.10Å | |
| CAZ | H9 | sing | 1.09Å | 1.10Å | |
| CAZ | H10 | sing | 1.09Å | 1.10Å | |
| OAQ | H11 | sing | 0.97Å | 0.95Å | |
| CAS | H12 | sing | 1.08Å | 1.08Å | |
| CAT | H13 | sing | 1.08Å | 1.08Å | |
| OBA | H14 | sing | 0.97Å | 0.95Å | |
| CAV | H15 | sing | 1.08Å | 1.08Å | |
| CAW | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAP | CAK | CAL | 122.2° | 125.0° |
| OAP | CAK | OAJ | 125.8° | 125.0° |
| OAQ | CAL | CAK | 121.6° | 125.7° |
| OAQ | CAL | CAM | 127.9° | 125.6° |
| CAL | OAQ | H11 | 109.5° | 114.0° |
| CAL | CAK | OAJ | 112.0° | 110.0° |
| CAK | CAL | CAM | 110.5° | 108.7° |
| CAK | OAJ | CAI | 105.5° | 108.4° |
| CAZ | OAY | CAR | 112.6° | 117.0° |
| OAY | CAZ | H8 | 109.5° | 109.4° |
| OAY | CAZ | H9 | 109.5° | 109.5° |
| OAY | CAZ | H10 | 109.5° | 109.5° |
| CAL | CAM | CAI | 107.0° | 106.4° |
| CAL | CAM | CAN | 123.2° | 126.7° |
| OAY | CAR | CAI | 117.2° | 120.0° |
| OAY | CAR | OAX | 121.6° | 120.0° |
| OAJ | CAI | CAM | 104.8° | 106.5° |
| OAJ | CAI | CAR | 110.3° | 110.1° |
| OAJ | CAI | CAG | 106.7° | 110.1° |
| CAI | CAM | CAN | 129.6° | 126.9° |
| CAM | CAI | CAR | 105.7° | 110.1° |
| CAM | CAI | CAG | 117.7° | 110.0° |
| CAM | CAN | CAW | 130.3° | 120.1° |
| CAM | CAN | CAS | 115.3° | 120.1° |
| CAI | CAR | OAX | 121.1° | 120.0° |
| CAR | CAI | CAG | 111.3° | 110.0° |
| CAI | CAG | CAF | 110.8° | 109.4° |
| CAI | CAG | H6 | 109.2° | 109.5° |
| CAI | CAG | H7 | 109.2° | 109.4° |
| CAW | CAN | CAS | 114.4° | 119.8° |
| CAN | CAW | CAV | 123.1° | 119.9° |
| CAN | CAW | H16 | 118.5° | 120.0° |
| CAN | CAS | CAT | 122.7° | 119.8° |
| CAN | CAS | H12 | 118.7° | 120.1° |
| CAW | CAV | CAU | 121.2° | 120.1° |
| CAW | CAV | H15 | 119.4° | 119.9° |
| CAV | CAW | H16 | 118.4° | 120.1° |
| CAS | CAT | CAU | 122.3° | 120.1° |
| CAT | CAS | H12 | 118.7° | 120.0° |
| CAS | CAT | H13 | 118.9° | 119.9° |
| CAD | CAE | CAF | 120.3° | 120.1° |
| CAE | CAD | CAC | 121.3° | 120.0° |
| CAE | CAD | H4 | 119.3° | 120.1° |
| CAD | CAE | H5 | 119.8° | 119.9° |
| CAE | CAF | CAG | 121.2° | 120.0° |
| CAE | CAF | CAA | 117.6° | 120.1° |
| CAF | CAE | H5 | 119.8° | 120.0° |
| CAD | CAC | OAO | 121.6° | 120.1° |
| CAD | CAC | CAB | 118.9° | 119.9° |
| CAC | CAD | H4 | 119.3° | 120.0° |
| CAG | CAF | CAA | 121.1° | 119.9° |
| CAF | CAG | H6 | 109.2° | 109.5° |
| CAF | CAG | H7 | 109.2° | 109.5° |
| CAV | CAU | CAT | 116.4° | 120.2° |
| CAV | CAU | OBA | 123.4° | 119.9° |
| CAU | CAV | H15 | 119.4° | 120.0° |
| CAT | CAU | OBA | 120.2° | 119.9° |
| CAU | CAT | H13 | 118.9° | 119.9° |
| CAF | CAA | CAB | 122.2° | 120.1° |
| CAF | CAA | H1 | 118.9° | 120.0° |
| CAU | OBA | H14 | 109.5° | 114.0° |
| OAO | CAC | CAB | 119.4° | 120.1° |
| CAC | OAO | H3 | 109.5° | 114.0° |
| CAC | CAB | CAA | 119.6° | 119.9° |
| CAC | CAB | H2 | 120.2° | 120.0° |
| CAB | CAA | H1 | 118.9° | 120.0° |
| CAA | CAB | H2 | 120.2° | 120.0° |
| H6 | CAG | H7 | 109.4° | 109.5° |
| H8 | CAZ | H9 | 109.4° | 109.5° |
| H8 | CAZ | H10 | 109.5° | 109.4° |
| H9 | CAZ | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAP | CAK | CAL | OAQ | 3.2° | 0.0° |
| OAP | CAK | CAL | OAJ | 178.9° | 180.0° |
| OAP | CAK | CAL | CAM | 178.3° | 179.9° |
| OAP | CAK | OAJ | CAI | 178.8° | 180.0° |
| OAQ | CAL | CAK | CAM | 178.5° | 179.9° |
| OAQ | CAL | CAK | OAJ | 177.8° | 180.0° |
| OAQ | CAL | CAM | CAI | 175.0° | 180.0° |
| OAQ | CAL | CAM | CAN | 9.1° | 0.1° |
| CAL | CAK | OAJ | CAI | 2.3° | 0.0° |
| CAK | CAL | CAM | CAI | 3.4° | 0.1° |
| CAK | CAL | CAM | CAN | 172.5° | 180.0° |
| CAK | CAL | OAQ | H11 | 1.5° | 0.0° |
| OAJ | CAK | CAL | CAM | 0.6° | 0.0° |
| CAK | OAJ | CAI | CAM | 4.1° | 0.0° |
| CAK | OAJ | CAI | CAR | 109.2° | 119.3° |
| CAK | OAJ | CAI | CAG | 129.7° | 119.2° |
| CAZ | OAY | CAR | CAI | 142.9° | 180.0° |
| CAZ | OAY | CAR | OAX | 34.6° | 0.1° |
| OAY | CAZ | H8 | H9 | 120.0° | 120.0° |
| OAY | CAZ | H8 | H10 | 120.0° | 119.9° |
| OAY | CAZ | H9 | H10 | 120.0° | 120.0° |
| CAL | CAM | CAI | OAJ | 4.6° | 0.1° |
| CAL | CAM | CAI | CAN | 175.6° | 179.9° |
| CAL | CAM | CAI | CAR | 112.0° | 119.3° |
| CAL | CAM | CAI | CAG | 122.9° | 119.2° |
| CAL | CAM | CAN | CAW | 117.9° | 65.0° |
| CAL | CAM | CAN | CAS | 62.1° | 114.7° |
| CAM | CAL | OAQ | H11 | 179.7° | 179.9° |
| OAY | CAR | CAI | OAJ | 12.6° | 33.6° |
| OAY | CAR | CAI | CAM | 100.1° | 83.5° |
| OAY | CAR | CAI | OAX | 177.5° | 180.0° |
| OAY | CAR | CAI | CAG | 130.9° | 155.0° |
| CAR | OAY | CAZ | H8 | 180.0° | 180.0° |
| CAR | OAY | CAZ | H9 | 60.0° | 60.0° |
| CAR | OAY | CAZ | H10 | 60.0° | 60.1° |
| OAJ | CAI | CAM | CAR | 116.6° | 119.3° |
| OAJ | CAI | CAM | CAG | 118.4° | 119.3° |
| OAJ | CAI | CAM | CAN | 171.0° | 180.0° |
| OAJ | CAI | CAR | CAG | 118.3° | 121.5° |
| OAJ | CAI | CAR | OAX | 169.9° | 146.5° |
| OAJ | CAI | CAG | CAF | 66.1° | 62.1° |
| OAJ | CAI | CAG | H6 | 54.1° | 177.9° |
| OAJ | CAI | CAG | H7 | 173.7° | 57.8° |
| CAM | CAI | CAR | CAG | 128.9° | 121.4° |
| CAM | CAI | CAR | OAX | 77.4° | 96.4° |
| CAI | CAM | CAN | CAW | 67.1° | 115.0° |
| CAI | CAM | CAN | CAS | 112.8° | 65.2° |
| CAM | CAI | CAG | CAF | 176.6° | 179.2° |
| CAM | CAI | CAG | H6 | 63.2° | 60.8° |
| CAM | CAI | CAG | H7 | 56.4° | 59.3° |
| CAN | CAM | CAI | CAR | 72.4° | 60.7° |
| CAN | CAM | CAI | CAG | 52.6° | 60.7° |
| CAM | CAN | CAW | CAS | 180.0° | 179.8° |
| CAM | CAN | CAW | CAV | 179.7° | 179.7° |
| CAM | CAN | CAS | CAT | 179.6° | 180.0° |
| CAM | CAN | CAS | H12 | 0.4° | 0.0° |
| CAM | CAN | CAW | H16 | 0.3° | 0.1° |
| CAR | CAI | CAG | CAF | 54.3° | 59.3° |
| CAR | CAI | CAG | H6 | 174.6° | 60.7° |
| CAR | CAI | CAG | H7 | 65.9° | 179.3° |
| OAX | CAR | CAI | CAG | 51.5° | 25.0° |
| CAI | CAG | CAF | CAE | 83.7° | 90.0° |
| CAI | CAG | CAF | H6 | 120.2° | 120.0° |
| CAI | CAG | CAF | H7 | 120.2° | 119.9° |
| CAI | CAG | CAF | CAA | 95.2° | 90.6° |
| CAI | CAG | H6 | H7 | 119.4° | 120.0° |
| CAN | CAW | CAV | H16 | 180.0° | 179.8° |
| CAW | CAN | CAS | CAT | 0.4° | 0.3° |
| CAN | CAW | CAV | CAU | 0.5° | 0.5° |
| CAW | CAN | CAS | H12 | 179.5° | 179.7° |
| CAN | CAW | CAV | H15 | 179.5° | 179.7° |
| CAS | CAN | CAW | CAV | 0.3° | 0.5° |
| CAN | CAS | CAT | H12 | 180.0° | 180.0° |
| CAN | CAS | CAT | CAU | 1.9° | 0.0° |
| CAN | CAS | CAT | H13 | 178.1° | 180.0° |
| CAS | CAN | CAW | H16 | 179.7° | 179.7° |
| CAW | CAV | CAU | H15 | 180.0° | 179.7° |
| CAW | CAV | CAU | CAT | 1.8° | 0.2° |
| CAW | CAV | CAU | OBA | 179.8° | 179.8° |
| CAS | CAT | CAU | CAV | 2.5° | 0.1° |
| CAS | CAT | CAU | H13 | 180.0° | 179.9° |
| CAS | CAT | CAU | OBA | 179.0° | 180.0° |
| CAD | CAE | CAF | H5 | 180.0° | 179.8° |
| CAE | CAD | CAC | H4 | 180.0° | 180.0° |
| CAD | CAE | CAF | CAG | 179.2° | 180.0° |
| CAD | CAE | CAF | CAA | 0.3° | 0.5° |
| CAE | CAD | CAC | OAO | 179.7° | 179.9° |
| CAE | CAD | CAC | CAB | 0.6° | 0.0° |
| CAF | CAE | CAD | CAC | 0.2° | 0.3° |
| CAE | CAF | CAG | CAA | 178.9° | 179.4° |
| CAE | CAF | CAA | CAB | 0.3° | 0.5° |
| CAE | CAF | CAA | H1 | 179.7° | 179.7° |
| CAF | CAE | CAD | H4 | 179.8° | 179.7° |
| CAE | CAF | CAG | H6 | 36.5° | 150.0° |
| CAE | CAF | CAG | H7 | 156.1° | 29.9° |
| CAD | CAC | OAO | CAB | 179.6° | 180.0° |
| CAD | CAC | CAB | CAA | 0.6° | 0.1° |
| CAD | CAC | CAB | H2 | 179.4° | 180.0° |
| CAD | CAC | OAO | H3 | 180.0° | 89.9° |
| CAC | CAD | CAE | H5 | 179.8° | 179.9° |
| CAG | CAF | CAA | CAB | 179.2° | 179.9° |
| CAG | CAF | CAA | H1 | 0.8° | 0.2° |
| CAG | CAF | CAE | H5 | 0.8° | 0.2° |
| CAF | CAG | H6 | H7 | 119.4° | 120.0° |
| CAV | CAU | CAT | OBA | 178.4° | 180.0° |
| CAV | CAU | CAT | H13 | 177.5° | 180.0° |
| CAV | CAU | OBA | H14 | 180.0° | 90.0° |
| CAU | CAV | CAW | H16 | 179.5° | 179.7° |
| CAU | CAT | CAS | H12 | 178.1° | 180.0° |
| CAT | CAU | OBA | H14 | 1.7° | 90.0° |
| CAT | CAU | CAV | H15 | 178.2° | 180.0° |
| CAF | CAA | CAB | CAC | 0.1° | 0.2° |
| CAF | CAA | CAB | H1 | 180.0° | 179.8° |
| CAF | CAA | CAB | H2 | 179.8° | 179.7° |
| CAA | CAF | CAE | H5 | 179.7° | 179.7° |
| CAA | CAF | CAG | H6 | 144.6° | 29.4° |
| CAA | CAF | CAG | H7 | 25.0° | 149.5° |
| OBA | CAU | CAT | H13 | 1.0° | 0.0° |
| OBA | CAU | CAV | H15 | 0.2° | 0.0° |
| OAO | CAC | CAB | CAA | 179.8° | 179.9° |
| OAO | CAC | CAB | H2 | 0.3° | 0.0° |
| OAO | CAC | CAD | H4 | 0.3° | 0.0° |
| CAC | CAB | CAA | H2 | 180.0° | 179.9° |
| CAC | CAB | CAA | H1 | 179.9° | 180.0° |
| CAB | CAC | OAO | H3 | 0.3° | 90.0° |
| CAB | CAC | CAD | H4 | 179.4° | 180.0° |
| H1 | CAA | CAB | H2 | 0.2° | 0.1° |
| H4 | CAD | CAE | H5 | 0.2° | 0.1° |
| H8 | CAZ | H9 | H10 | 120.0° | 120.0° |
| H12 | CAS | CAT | H13 | 1.9° | 0.0° |
| H15 | CAV | CAW | H16 | 0.5° | 0.0° |
