OUY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
| OAD | CAU | doub | 1.22Å | 1.23Å | |
| CAI | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| NAB | CAX | sing | 1.37Å | 1.33Å | |
| CAP | CAZ | sing | 1.51Å | 1.39Å | |
| CAP | NAR | sing | 1.47Å | 1.47Å | |
| CAZ | CAY | doub | 1.39Å | 1.39Å | Aromatic |
| CAU | NAR | sing | 1.35Å | 1.34Å | |
| CAU | CBA | sing | 1.47Å | 1.39Å | |
| CAV | FAG | sing | 1.35Å | 1.35Å | |
| CAV | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAX | CBA | doub | 1.40Å | 1.39Å | |
| CAX | CBC | sing | 1.47Å | 1.39Å | |
| CBA | CBB | sing | 1.42Å | 1.39Å | |
| CAY | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | FAH | sing | 1.35Å | 1.33Å | |
| CAM | CBC | doub | 1.40Å | 1.39Å | Aromatic |
| CAM | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| OAC | CAT | doub | 1.21Å | 1.23Å | |
| CBC | CBD | sing | 1.41Å | 1.39Å | Aromatic |
| CAT | CAN | sing | 1.51Å | 1.53Å | |
| CAT | OAS | sing | 1.34Å | 1.36Å | |
| CAA | OAS | sing | 1.45Å | 1.43Å | |
| CAO | CAN | sing | 1.53Å | 1.53Å | |
| CAO | CAW | sing | 1.51Å | 1.39Å | |
| CAW | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CBB | OAE | doub | 1.22Å | 1.23Å | |
| CBB | NBE | sing | 1.34Å | 1.35Å | |
| CBD | NBE | sing | 1.38Å | 1.35Å | |
| CBD | NAQ | doub | 1.33Å | 1.34Å | Aromatic |
| NBE | OAF | sing | 1.42Å | 1.39Å | |
| CAK | NAQ | sing | 1.32Å | 1.40Å | Aromatic |
| CAL | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAP | H4 | sing | 1.09Å | 1.10Å | |
| CAP | H5 | sing | 1.09Å | 1.10Å | |
| NAR | H6 | sing | 0.97Å | 1.00Å | |
| OAF | H7 | sing | 0.97Å | 0.95Å | |
| NAB | H8 | sing | 0.97Å | 1.00Å | |
| NAB | H9 | sing | 0.97Å | 1.00Å | |
| CAM | H10 | sing | 1.08Å | 1.08Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAJ | CAZ | 120.2° | 120.0° |
| CAJ | CAI | CAV | 120.0° | 120.1° |
| CAJ | CAI | H2 | 120.0° | 120.0° |
| CAI | CAJ | H3 | 119.9° | 120.0° |
| CAJ | CAZ | CAP | 119.1° | 120.0° |
| CAJ | CAZ | CAY | 119.7° | 120.0° |
| CAZ | CAJ | H3 | 119.9° | 120.0° |
| OAD | CAU | NAR | 123.7° | 120.0° |
| OAD | CAU | CBA | 120.4° | 120.0° |
| CAI | CAV | FAG | 120.3° | 120.1° |
| CAI | CAV | CAL | 119.9° | 119.9° |
| CAV | CAI | H2 | 120.0° | 119.9° |
| NAB | CAX | CBA | 119.2° | 121.0° |
| NAB | CAX | CBC | 119.0° | 121.0° |
| CAX | NAB | H8 | 109.5° | 120.0° |
| CAX | NAB | H9 | 109.5° | 120.0° |
| CAZ | CAP | NAR | 112.8° | 109.5° |
| CAP | CAZ | CAY | 121.2° | 119.9° |
| CAZ | CAP | H4 | 108.6° | 109.5° |
| CAZ | CAP | H5 | 108.7° | 109.5° |
| CAP | NAR | CAU | 121.3° | 120.0° |
| NAR | CAP | H4 | 108.6° | 109.5° |
| NAR | CAP | H5 | 108.6° | 109.5° |
| CAP | NAR | H6 | 119.3° | 120.0° |
| CAZ | CAY | CAL | 120.1° | 119.9° |
| CAZ | CAY | FAH | 120.1° | 120.0° |
| NAR | CAU | CBA | 115.9° | 120.0° |
| CAU | NAR | H6 | 119.4° | 120.0° |
| CAU | CBA | CAX | 120.7° | 120.3° |
| CAU | CBA | CBB | 121.3° | 120.3° |
| FAG | CAV | CAL | 119.8° | 120.0° |
| CAV | CAL | CAY | 120.1° | 120.0° |
| CAV | CAL | H1 | 119.9° | 120.0° |
| CBA | CAX | CBC | 121.8° | 118.0° |
| CAX | CBA | CBB | 118.0° | 119.4° |
| CAX | CBC | CAM | 121.7° | 121.2° |
| CAX | CBC | CBD | 117.5° | 119.3° |
| CBA | CBB | OAE | 120.6° | 119.2° |
| CBA | CBB | NBE | 120.0° | 121.7° |
| CAL | CAY | FAH | 119.8° | 120.1° |
| CAY | CAL | H1 | 120.0° | 120.0° |
| CBC | CAM | CAW | 119.1° | 118.0° |
| CAM | CBC | CBD | 120.7° | 119.5° |
| CBC | CAM | H10 | 120.4° | 121.0° |
| CAM | CAW | CAO | 122.0° | 120.3° |
| CAM | CAW | CAK | 119.2° | 119.4° |
| CAW | CAM | H10 | 120.5° | 121.0° |
| OAC | CAT | CAN | 121.1° | 120.0° |
| OAC | CAT | OAS | 124.1° | 120.0° |
| CBC | CBD | NBE | 120.5° | 119.8° |
| CBC | CBD | NAQ | 120.2° | 119.8° |
| CAN | CAT | OAS | 114.8° | 120.0° |
| CAT | CAN | CAO | 110.0° | 109.5° |
| CAT | CAN | H14 | 109.3° | 109.5° |
| CAT | CAN | H15 | 109.3° | 109.5° |
| CAT | OAS | CAA | 110.5° | 117.0° |
| OAS | CAA | H16 | 109.5° | 109.5° |
| OAS | CAA | H17 | 109.5° | 109.5° |
| OAS | CAA | H18 | 109.4° | 109.5° |
| CAN | CAO | CAW | 110.3° | 109.5° |
| CAN | CAO | H12 | 109.3° | 109.5° |
| CAN | CAO | H13 | 109.3° | 109.5° |
| CAO | CAN | H14 | 109.3° | 109.5° |
| CAO | CAN | H15 | 109.3° | 109.5° |
| CAO | CAW | CAK | 118.7° | 120.3° |
| CAW | CAO | H12 | 109.2° | 109.5° |
| CAW | CAO | H13 | 109.3° | 109.4° |
| CAW | CAK | NAQ | 120.4° | 121.6° |
| CAW | CAK | H11 | 119.8° | 119.2° |
| OAE | CBB | NBE | 119.4° | 119.1° |
| CBB | NBE | CBD | 122.1° | 121.8° |
| CBB | NBE | OAF | 119.2° | 119.1° |
| NBE | CBD | NAQ | 119.3° | 120.5° |
| CBD | NBE | OAF | 118.7° | 119.1° |
| CBD | NAQ | CAK | 120.4° | 121.7° |
| NBE | OAF | H7 | 109.5° | 114.0° |
| NAQ | CAK | H11 | 119.8° | 119.1° |
| H4 | CAP | H5 | 109.4° | 109.5° |
| H8 | NAB | H9 | 109.5° | 120.0° |
| H12 | CAO | H13 | 109.5° | 109.5° |
| H14 | CAN | H15 | 109.5° | 109.5° |
| H16 | CAA | H17 | 109.5° | 109.5° |
| H16 | CAA | H18 | 109.5° | 109.5° |
| H17 | CAA | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAJ | CAZ | H3 | 180.0° | 179.8° |
| CAJ | CAI | CAV | H2 | 180.0° | 180.0° |
| CAI | CAJ | CAZ | CAP | 179.8° | 180.0° |
| CAI | CAJ | CAZ | CAY | 0.5° | 0.5° |
| CAJ | CAI | CAV | FAG | 180.0° | 180.0° |
| CAJ | CAI | CAV | CAL | 0.1° | 0.1° |
| CAZ | CAJ | CAI | CAV | 0.3° | 0.3° |
| CAJ | CAZ | CAP | CAY | 179.3° | 179.5° |
| CAJ | CAZ | CAP | NAR | 126.8° | 105.0° |
| CAJ | CAZ | CAY | CAL | 0.5° | 0.5° |
| CAJ | CAZ | CAY | FAH | 179.9° | 179.8° |
| CAZ | CAJ | CAI | H2 | 179.7° | 179.8° |
| CAJ | CAZ | CAP | H4 | 6.3° | 135.0° |
| CAJ | CAZ | CAP | H5 | 112.7° | 15.0° |
| OAD | CAU | NAR | CAP | 0.1° | 5.3° |
| OAD | CAU | NAR | CBA | 179.9° | 180.0° |
| OAD | CAU | CBA | CAX | 0.9° | 6.3° |
| OAD | CAU | CBA | CBB | 177.9° | 173.4° |
| OAD | CAU | NAR | H6 | 179.9° | 174.7° |
| CAI | CAV | FAG | CAL | 179.9° | 179.9° |
| CAI | CAV | CAL | CAY | 0.1° | 0.0° |
| CAI | CAV | CAL | H1 | 179.9° | 180.0° |
| CAV | CAI | CAJ | H3 | 179.7° | 179.9° |
| NAB | CAX | CBA | CAU | 1.0° | 0.0° |
| NAB | CAX | CBA | CBC | 179.3° | 180.0° |
| NAB | CAX | CBA | CBB | 179.9° | 179.8° |
| NAB | CAX | CBC | CAM | 0.2° | 0.0° |
| NAB | CAX | CBC | CBD | 179.9° | 180.0° |
| CAX | NAB | H8 | H9 | 120.0° | 179.9° |
| CAZ | CAP | NAR | H4 | 120.5° | 120.0° |
| CAZ | CAP | NAR | H5 | 120.5° | 120.0° |
| CAZ | CAP | NAR | CAU | 111.4° | 180.0° |
| CAP | CAZ | CAY | CAL | 179.8° | 180.0° |
| CAP | CAZ | CAY | FAH | 0.6° | 0.3° |
| CAP | CAZ | CAJ | H3 | 0.2° | 0.2° |
| CAZ | CAP | H4 | H5 | 118.5° | 120.0° |
| CAZ | CAP | NAR | H6 | 68.6° | 0.0° |
| NAR | CAP | CAZ | CAY | 53.9° | 75.5° |
| CAP | NAR | CAU | H6 | 180.0° | 179.9° |
| CAP | NAR | CAU | CBA | 180.0° | 174.7° |
| NAR | CAP | H4 | H5 | 118.5° | 120.0° |
| CAZ | CAY | CAL | CAV | 0.3° | 0.2° |
| CAZ | CAY | CAL | FAH | 179.6° | 179.8° |
| CAZ | CAY | CAL | H1 | 179.7° | 179.8° |
| CAY | CAZ | CAJ | H3 | 179.5° | 179.7° |
| CAY | CAZ | CAP | H4 | 174.4° | 44.5° |
| CAY | CAZ | CAP | H5 | 66.6° | 164.5° |
| NAR | CAU | CBA | CAX | 179.0° | 173.7° |
| NAR | CAU | CBA | CBB | 2.2° | 6.6° |
| CAU | NAR | CAP | H4 | 9.1° | 60.0° |
| CAU | NAR | CAP | H5 | 128.1° | 60.0° |
| CAU | CBA | CAX | CBB | 178.8° | 179.7° |
| CAU | CBA | CAX | CBC | 179.6° | 180.0° |
| CAU | CBA | CBB | OAE | 0.7° | 0.0° |
| CAU | CBA | CBB | NBE | 179.5° | 180.0° |
| CBA | CAU | NAR | H6 | 0.0° | 5.3° |
| FAG | CAV | CAL | CAY | 180.0° | 179.9° |
| FAG | CAV | CAL | H1 | 0.0° | 0.0° |
| FAG | CAV | CAI | H2 | 0.0° | 0.1° |
| CAV | CAL | CAY | H1 | 180.0° | 180.0° |
| CAV | CAL | CAY | FAH | 179.9° | 180.0° |
| CAL | CAV | CAI | H2 | 179.9° | 180.0° |
| CBA | CAX | CBC | CAM | 179.6° | 180.0° |
| CBA | CAX | CBC | CBD | 0.5° | 0.0° |
| CAX | CBA | CBB | OAE | 179.6° | 179.7° |
| CAX | CBA | CBB | NBE | 0.7° | 0.2° |
| CBA | CAX | NAB | H8 | 180.0° | 21.6° |
| CBA | CAX | NAB | H9 | 60.0° | 158.3° |
| CBC | CAX | CBA | CBB | 0.8° | 0.2° |
| CAX | CBC | CAM | CBD | 179.9° | 180.0° |
| CAX | CBC | CAM | CAW | 180.0° | 180.0° |
| CAX | CBC | CBD | NBE | 0.1° | 0.2° |
| CAX | CBC | CBD | NAQ | 179.9° | 179.9° |
| CBC | CAX | NAB | H8 | 0.6° | 158.4° |
| CBC | CAX | NAB | H9 | 119.4° | 21.7° |
| CAX | CBC | CAM | H10 | 0.0° | 0.1° |
| CBA | CBB | OAE | NBE | 179.7° | 179.9° |
| CBA | CBB | NBE | CBD | 0.3° | 0.0° |
| CBA | CBB | NBE | OAF | 179.8° | 179.9° |
| FAH | CAY | CAL | H1 | 0.1° | 0.0° |
| CBC | CAM | CAW | H10 | 180.0° | 179.9° |
| CBC | CAM | CAW | CAO | 179.9° | 180.0° |
| CBC | CAM | CAW | CAK | 0.2° | 0.1° |
| CAM | CBC | CBD | NBE | 180.0° | 179.8° |
| CAM | CBC | CBD | NAQ | 0.0° | 0.1° |
| CAW | CAM | CBC | CBD | 0.1° | 0.0° |
| CAM | CAW | CAO | CAN | 85.9° | 90.0° |
| CAM | CAW | CAO | CAK | 179.7° | 180.0° |
| CAM | CAW | CAK | NAQ | 0.2° | 0.1° |
| CAM | CAW | CAK | H11 | 179.8° | 180.0° |
| CAM | CAW | CAO | H12 | 153.9° | 150.0° |
| CAM | CAW | CAO | H13 | 34.2° | 30.0° |
| OAC | CAT | CAN | OAS | 178.5° | 179.9° |
| OAC | CAT | OAS | CAA | 0.6° | 0.0° |
| OAC | CAT | CAN | CAO | 11.1° | 0.0° |
| OAC | CAT | CAN | H14 | 109.0° | 119.9° |
| OAC | CAT | CAN | H15 | 131.2° | 120.0° |
| CBC | CBD | NBE | CBB | 0.0° | 0.2° |
| CBC | CBD | NBE | NAQ | 180.0° | 179.9° |
| CBC | CBD | NBE | OAF | 179.9° | 179.7° |
| CBC | CBD | NAQ | CAK | 0.0° | 0.0° |
| CBD | CBC | CAM | H10 | 179.9° | 179.9° |
| CAN | CAT | OAS | CAA | 179.1° | 180.0° |
| CAT | CAN | CAO | H14 | 120.1° | 120.0° |
| CAT | CAN | CAO | H15 | 120.1° | 120.0° |
| CAT | CAN | CAO | CAW | 178.5° | NaN° |
| CAT | CAN | CAO | H12 | 58.4° | 60.0° |
| CAT | CAN | CAO | H13 | 61.3° | 60.0° |
| CAT | CAN | H14 | H15 | 119.7° | 120.0° |
| OAS | CAT | CAN | CAO | 167.4° | 180.0° |
| OAS | CAT | CAN | H14 | 72.5° | 60.0° |
| OAS | CAT | CAN | H15 | 47.3° | 60.0° |
| CAT | OAS | CAA | H16 | 180.0° | 180.0° |
| CAT | OAS | CAA | H17 | 60.0° | 60.0° |
| CAT | OAS | CAA | H18 | 60.0° | 60.0° |
| OAS | CAA | H16 | H17 | 120.0° | 120.0° |
| OAS | CAA | H16 | H18 | 120.0° | 120.0° |
| OAS | CAA | H17 | H18 | 120.0° | 120.0° |
| CAN | CAO | CAW | H12 | 120.1° | 120.0° |
| CAN | CAO | CAW | H13 | 120.1° | 120.0° |
| CAN | CAO | CAW | CAK | 94.4° | 90.0° |
| CAN | CAO | H12 | H13 | 119.7° | 120.0° |
| CAO | CAN | H14 | H15 | 119.8° | 120.0° |
| CAO | CAW | CAK | NAQ | 179.8° | 179.9° |
| CAO | CAW | CAM | H10 | 0.1° | 0.0° |
| CAO | CAW | CAK | H11 | 0.1° | 0.0° |
| CAW | CAO | H12 | H13 | 119.6° | 120.0° |
| CAW | CAO | CAN | H14 | 61.4° | 60.0° |
| CAW | CAO | CAN | H15 | 58.4° | 60.0° |
| CAW | CAK | NAQ | CBD | 0.0° | 0.0° |
| CAW | CAK | NAQ | H11 | 180.0° | 179.9° |
| CAK | CAW | CAM | H10 | 179.8° | 180.0° |
| CAK | CAW | CAO | H12 | 25.7° | 30.0° |
| CAK | CAW | CAO | H13 | 145.4° | 150.0° |
| OAE | CBB | NBE | CBD | 179.9° | 179.9° |
| OAE | CBB | NBE | OAF | 0.0° | 0.0° |
| CBB | NBE | CBD | OAF | 179.9° | 179.9° |
| CBB | NBE | CBD | NAQ | 180.0° | 179.9° |
| CBB | NBE | OAF | H7 | 0.0° | 0.1° |
| NBE | CBD | NAQ | CAK | 179.9° | 179.8° |
| CBD | NBE | OAF | H7 | 179.9° | 180.0° |
| NAQ | CBD | NBE | OAF | 0.1° | 0.2° |
| CBD | NAQ | CAK | H11 | 179.9° | 180.0° |
| H2 | CAI | CAJ | H3 | 0.3° | 0.0° |
| H4 | CAP | NAR | H6 | 170.9° | 120.1° |
| H5 | CAP | NAR | H6 | 51.9° | 120.0° |
| H12 | CAO | CAN | H14 | 178.5° | 180.0° |
| H12 | CAO | CAN | H15 | 61.7° | 60.1° |
| H13 | CAO | CAN | H14 | 58.7° | 60.0° |
| H13 | CAO | CAN | H15 | 178.6° | 179.9° |
| H16 | CAA | H17 | H18 | 120.0° | 120.0° |
