YEA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAY | CAW | doub | 1.22Å | 1.20Å | |
| CAW | CAU | sing | 1.48Å | 1.54Å | |
| CAW | NAX | sing | 1.35Å | 1.47Å | |
| CAT | CAU | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.40Å | 1.39Å | Aromatic |
| CAZ | NAX | sing | 1.47Å | 1.45Å | |
| FBF | CAS | sing | 1.35Å | 1.36Å | |
| CAS | CAR | doub | 1.39Å | 1.38Å | Aromatic |
| CAV | CAQ | doub | 1.38Å | 1.38Å | Aromatic |
| CAR | CAQ | sing | 1.38Å | 1.38Å | Aromatic |
| CAQ | CAP | sing | 1.51Å | 1.52Å | |
| CAP | NAN | sing | 1.47Å | 1.45Å | |
| CAM | NAN | sing | 1.37Å | 1.33Å | |
| CAM | CAL | doub | 1.34Å | 1.40Å | |
| NAN | CAO | sing | 1.35Å | 1.31Å | |
| CAL | CAH | sing | 1.46Å | 1.43Å | |
| CAO | OBE | doub | 1.22Å | 1.39Å | |
| CAO | CAI | sing | 1.47Å | 1.42Å | |
| CAH | CAI | doub | 1.41Å | 1.37Å | Aromatic |
| CAH | CAG | sing | 1.39Å | 1.44Å | Aromatic |
| CAI | CAJ | sing | 1.40Å | 1.43Å | Aromatic |
| CAG | CAF | doub | 1.39Å | 1.41Å | Aromatic |
| CAJ | CAK | doub | 1.36Å | 1.40Å | Aromatic |
| FBD | CBA | sing | 1.40Å | 1.37Å | |
| CAK | CAF | sing | 1.40Å | 1.40Å | Aromatic |
| CAF | CAD | sing | 1.48Å | 1.53Å | |
| CBA | FBB | sing | 1.40Å | 1.36Å | |
| CBA | FBC | sing | 1.40Å | 1.36Å | |
| CBA | CAE | sing | 1.51Å | 1.51Å | |
| CAD | CAE | doub | 1.36Å | 1.42Å | Aromatic |
| CAD | CAC | sing | 1.41Å | 1.40Å | Aromatic |
| CAE | NAA | sing | 1.35Å | 1.30Å | Aromatic |
| CAC | NAB | doub | 1.31Å | 1.32Å | Aromatic |
| NAA | NAB | sing | 1.40Å | 1.32Å | Aromatic |
| CAC | H1 | sing | 1.08Å | 1.08Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAK | H4 | sing | 1.08Å | 1.08Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å | |
| CAM | H6 | sing | 1.08Å | 1.08Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| CAR | H9 | sing | 1.08Å | 1.08Å | |
| CAT | H10 | sing | 1.08Å | 1.08Å | |
| CAV | H11 | sing | 1.08Å | 1.08Å | |
| CAZ | H12 | sing | 1.09Å | 1.10Å | |
| CAZ | H13 | sing | 1.09Å | 1.10Å | |
| CAZ | H14 | sing | 1.09Å | 1.10Å | |
| NAA | H15 | sing | 0.97Å | 1.00Å | |
| NAX | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAY | CAW | CAU | 121.8° | 120.0° |
| OAY | CAW | NAX | 123.1° | 120.0° |
| CAU | CAW | NAX | 115.1° | 120.0° |
| CAW | CAU | CAT | 123.1° | 120.2° |
| CAW | CAU | CAV | 118.3° | 120.1° |
| CAW | NAX | CAZ | 123.3° | 120.0° |
| CAW | NAX | H16 | 118.4° | 120.0° |
| CAU | CAT | CAS | 119.8° | 119.9° |
| CAT | CAU | CAV | 118.6° | 119.7° |
| CAU | CAT | H10 | 120.1° | 120.1° |
| CAT | CAS | FBF | 120.4° | 120.0° |
| CAT | CAS | CAR | 121.3° | 120.1° |
| CAS | CAT | H10 | 120.2° | 120.1° |
| CAU | CAV | CAQ | 121.0° | 119.9° |
| CAU | CAV | H11 | 119.5° | 120.1° |
| NAX | CAZ | H12 | 109.5° | 109.5° |
| NAX | CAZ | H13 | 109.5° | 109.4° |
| NAX | CAZ | H14 | 109.5° | 109.4° |
| CAZ | NAX | H16 | 118.4° | 120.0° |
| FBF | CAS | CAR | 118.3° | 119.9° |
| CAS | CAR | CAQ | 118.9° | 120.3° |
| CAS | CAR | H9 | 120.5° | 119.9° |
| CAV | CAQ | CAR | 120.4° | 120.2° |
| CAV | CAQ | CAP | 119.9° | 120.0° |
| CAQ | CAV | H11 | 119.5° | 120.0° |
| CAR | CAQ | CAP | 119.7° | 119.9° |
| CAQ | CAR | H9 | 120.5° | 119.9° |
| CAQ | CAP | NAN | 108.6° | 109.4° |
| CAQ | CAP | H7 | 109.7° | 109.5° |
| CAQ | CAP | H8 | 109.7° | 109.5° |
| CAP | NAN | CAM | 119.5° | 118.9° |
| CAP | NAN | CAO | 119.5° | 118.8° |
| NAN | CAP | H7 | 109.7° | 109.4° |
| NAN | CAP | H8 | 109.6° | 109.5° |
| NAN | CAM | CAL | 121.6° | 122.4° |
| CAM | NAN | CAO | 120.9° | 122.3° |
| NAN | CAM | H6 | 119.2° | 118.8° |
| CAM | CAL | CAH | 119.0° | 119.4° |
| CAM | CAL | H5 | 120.5° | 120.3° |
| CAL | CAM | H6 | 119.2° | 118.8° |
| NAN | CAO | OBE | 119.8° | 120.4° |
| NAN | CAO | CAI | 121.0° | 119.2° |
| CAL | CAH | CAI | 116.9° | 118.4° |
| CAL | CAH | CAG | 122.9° | 121.9° |
| CAH | CAL | H5 | 120.5° | 120.3° |
| OBE | CAO | CAI | 119.1° | 120.4° |
| CAO | CAI | CAH | 120.5° | 118.3° |
| CAO | CAI | CAJ | 119.8° | 121.8° |
| CAI | CAH | CAG | 120.2° | 119.7° |
| CAH | CAI | CAJ | 119.6° | 119.9° |
| CAH | CAG | CAF | 120.6° | 119.3° |
| CAH | CAG | H2 | 119.7° | 120.3° |
| CAI | CAJ | CAK | 119.9° | 119.8° |
| CAI | CAJ | H3 | 120.1° | 120.1° |
| CAG | CAF | CAK | 118.4° | 120.4° |
| CAG | CAF | CAD | 124.4° | 119.8° |
| CAF | CAG | H2 | 119.7° | 120.3° |
| CAJ | CAK | CAF | 121.3° | 120.8° |
| CAK | CAJ | H3 | 120.0° | 120.1° |
| CAJ | CAK | H4 | 119.3° | 119.6° |
| FBD | CBA | FBB | 112.6° | 109.5° |
| FBD | CBA | FBC | 110.1° | 109.4° |
| FBD | CBA | CAE | 109.0° | 109.5° |
| CAK | CAF | CAD | 117.0° | 119.7° |
| CAF | CAK | H4 | 119.3° | 119.6° |
| CAF | CAD | CAE | 133.8° | 126.2° |
| CAF | CAD | CAC | 124.2° | 126.2° |
| FBB | CBA | FBC | 109.2° | 109.4° |
| FBB | CBA | CAE | 106.8° | 109.5° |
| FBC | CBA | CAE | 109.0° | 109.5° |
| CBA | CAE | CAD | 129.1° | 126.2° |
| CBA | CAE | NAA | 121.2° | 126.2° |
| CAE | CAD | CAC | 101.7° | 107.6° |
| CAD | CAE | NAA | 109.7° | 107.6° |
| CAD | CAC | NAB | 109.5° | 108.0° |
| CAD | CAC | H1 | 125.3° | 126.0° |
| CAE | NAA | NAB | 109.1° | 108.3° |
| CAE | NAA | H15 | 125.4° | 125.8° |
| CAC | NAB | NAA | 109.9° | 108.6° |
| NAB | CAC | H1 | 125.3° | 126.0° |
| NAB | NAA | H15 | 125.5° | 125.9° |
| H7 | CAP | H8 | 109.5° | 109.5° |
| H12 | CAZ | H13 | 109.4° | 109.5° |
| H12 | CAZ | H14 | 109.5° | 109.5° |
| H13 | CAZ | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAY | CAW | CAU | NAX | 179.9° | 180.0° |
| OAY | CAW | CAU | CAT | 37.3° | 180.0° |
| OAY | CAW | CAU | CAV | 143.7° | 0.3° |
| OAY | CAW | NAX | CAZ | 0.3° | 0.0° |
| OAY | CAW | NAX | H16 | 179.8° | 179.9° |
| CAW | CAU | CAT | CAV | 179.0° | 179.7° |
| CAW | CAU | CAT | CAS | 179.4° | 180.0° |
| CAU | CAW | NAX | CAZ | 179.6° | 180.0° |
| CAW | CAU | CAV | CAQ | 179.7° | 179.7° |
| CAW | CAU | CAT | H10 | 0.5° | 0.3° |
| CAW | CAU | CAV | H11 | 0.3° | 0.2° |
| CAU | CAW | NAX | H16 | 0.3° | 0.1° |
| NAX | CAW | CAU | CAT | 142.8° | 0.0° |
| NAX | CAW | CAU | CAV | 36.2° | 179.7° |
| CAW | NAX | CAZ | H16 | 180.0° | 179.9° |
| CAW | NAX | CAZ | H12 | 180.0° | 60.0° |
| CAW | NAX | CAZ | H13 | 60.0° | 180.0° |
| CAW | NAX | CAZ | H14 | 60.0° | 60.0° |
| CAU | CAT | CAS | H10 | 180.0° | 179.7° |
| CAU | CAT | CAS | FBF | 179.4° | 179.9° |
| CAU | CAT | CAS | CAR | 0.1° | 0.0° |
| CAT | CAU | CAV | CAQ | 0.7° | 0.5° |
| CAT | CAU | CAV | H11 | 179.3° | 180.0° |
| CAS | CAT | CAU | CAV | 0.5° | 0.3° |
| CAT | CAS | FBF | CAR | 179.5° | 179.9° |
| CAT | CAS | CAR | CAQ | 0.5° | 0.1° |
| CAT | CAS | CAR | H9 | 179.5° | 180.0° |
| CAU | CAV | CAQ | H11 | 180.0° | 179.5° |
| CAU | CAV | CAQ | CAR | 0.3° | 0.5° |
| CAU | CAV | CAQ | CAP | 179.9° | 179.8° |
| CAV | CAU | CAT | H10 | 179.5° | 180.0° |
| NAX | CAZ | H12 | H13 | 120.0° | 120.0° |
| NAX | CAZ | H12 | H14 | 120.0° | 120.0° |
| NAX | CAZ | H13 | H14 | 120.0° | 120.0° |
| FBF | CAS | CAR | CAQ | 179.1° | 180.0° |
| FBF | CAS | CAR | H9 | 0.9° | 0.1° |
| FBF | CAS | CAT | H10 | 0.6° | 0.2° |
| CAS | CAR | CAQ | CAV | 0.3° | 0.2° |
| CAS | CAR | CAQ | H9 | 180.0° | 179.9° |
| CAS | CAR | CAQ | CAP | 179.3° | 179.9° |
| CAR | CAS | CAT | H10 | 179.9° | 179.7° |
| CAV | CAQ | CAR | CAP | 179.6° | 179.7° |
| CAV | CAQ | CAP | NAN | 142.4° | 90.2° |
| CAV | CAQ | CAP | H7 | 22.5° | 29.7° |
| CAV | CAQ | CAP | H8 | 97.8° | 149.8° |
| CAV | CAQ | CAR | H9 | 179.8° | 179.7° |
| CAR | CAQ | CAP | NAN | 37.2° | 90.0° |
| CAR | CAQ | CAP | H7 | 157.1° | 150.1° |
| CAR | CAQ | CAP | H8 | 82.6° | 30.0° |
| CAR | CAQ | CAV | H11 | 179.7° | 180.0° |
| CAQ | CAP | NAN | H7 | 119.8° | 120.0° |
| CAQ | CAP | NAN | H8 | 119.9° | 120.0° |
| CAQ | CAP | NAN | CAM | 110.8° | 90.0° |
| CAQ | CAP | NAN | CAO | 69.2° | 90.0° |
| CAQ | CAP | H7 | H8 | 120.4° | 120.1° |
| CAP | CAQ | CAR | H9 | 0.6° | 0.0° |
| CAP | CAQ | CAV | H11 | 0.1° | 0.3° |
| CAP | NAN | CAM | CAO | 179.9° | 180.0° |
| CAP | NAN | CAM | CAL | 179.6° | 180.0° |
| CAP | NAN | CAO | OBE | 0.9° | 0.0° |
| CAP | NAN | CAO | CAI | 179.5° | 180.0° |
| CAP | NAN | CAM | H6 | 0.4° | 0.0° |
| NAN | CAP | H7 | H8 | 120.4° | 120.0° |
| NAN | CAM | CAL | H6 | 180.0° | 180.0° |
| NAN | CAM | CAL | CAH | 0.1° | 0.0° |
| CAM | NAN | CAO | OBE | 179.1° | 180.0° |
| CAM | NAN | CAO | CAI | 0.4° | 0.0° |
| NAN | CAM | CAL | H5 | 179.9° | 180.0° |
| CAM | NAN | CAP | H7 | 129.3° | 30.0° |
| CAM | NAN | CAP | H8 | 9.0° | 150.0° |
| CAL | CAM | NAN | CAO | 0.4° | 0.0° |
| CAM | CAL | CAH | H5 | 180.0° | 180.0° |
| CAM | CAL | CAH | CAI | 0.2° | 0.0° |
| CAM | CAL | CAH | CAG | 179.6° | 180.0° |
| NAN | CAO | OBE | CAI | 179.5° | 180.0° |
| NAN | CAO | CAI | CAH | 0.1° | 0.0° |
| NAN | CAO | CAI | CAJ | 179.9° | 179.9° |
| CAO | NAN | CAM | H6 | 179.6° | 180.0° |
| CAO | NAN | CAP | H7 | 50.6° | 150.0° |
| CAO | NAN | CAP | H8 | 170.9° | 30.0° |
| CAL | CAH | CAI | CAO | 0.1° | 0.0° |
| CAL | CAH | CAI | CAG | 179.8° | 180.0° |
| CAL | CAH | CAI | CAJ | 179.8° | 179.9° |
| CAL | CAH | CAG | CAF | 178.9° | 179.9° |
| CAL | CAH | CAG | H2 | 1.1° | 0.0° |
| CAH | CAL | CAM | H6 | 179.9° | 180.0° |
| OBE | CAO | CAI | CAH | 179.4° | 180.0° |
| OBE | CAO | CAI | CAJ | 0.6° | 0.1° |
| CAO | CAI | CAH | CAJ | 180.0° | 179.9° |
| CAO | CAI | CAH | CAG | 179.6° | 180.0° |
| CAO | CAI | CAJ | CAK | 179.5° | 179.8° |
| CAO | CAI | CAJ | H3 | 0.5° | 0.0° |
| CAI | CAH | CAG | CAF | 0.8° | 0.0° |
| CAH | CAI | CAJ | CAK | 0.6° | 0.3° |
| CAI | CAH | CAG | H2 | 179.2° | 179.9° |
| CAH | CAI | CAJ | H3 | 179.4° | 180.0° |
| CAI | CAH | CAL | H5 | 179.9° | 180.0° |
| CAG | CAH | CAI | CAJ | 0.4° | 0.0° |
| CAH | CAG | CAF | H2 | 180.0° | 179.9° |
| CAH | CAG | CAF | CAK | 1.9° | 0.3° |
| CAH | CAG | CAF | CAD | 177.3° | 180.0° |
| CAG | CAH | CAL | H5 | 0.3° | 0.0° |
| CAI | CAJ | CAK | H3 | 180.0° | 179.7° |
| CAI | CAJ | CAK | CAF | 0.5° | 0.6° |
| CAI | CAJ | CAK | H4 | 179.5° | 180.0° |
| CAG | CAF | CAK | CAJ | 1.7° | 0.6° |
| CAG | CAF | CAK | CAD | 175.8° | 179.7° |
| CAG | CAF | CAD | CAE | 7.1° | 130.0° |
| CAG | CAF | CAD | CAC | 179.9° | 50.0° |
| CAG | CAF | CAK | H4 | 178.3° | 180.0° |
| CAJ | CAK | CAF | H4 | 180.0° | 179.4° |
| CAJ | CAK | CAF | CAD | 177.5° | 179.7° |
| FBD | CBA | FBB | FBC | 122.6° | 120.0° |
| FBD | CBA | FBB | CAE | 119.6° | 120.0° |
| FBD | CBA | FBC | CAE | 119.5° | 120.0° |
| FBD | CBA | CAE | CAD | 52.1° | 60.0° |
| FBD | CBA | CAE | NAA | 129.8° | 120.0° |
| CAK | CAF | CAD | CAE | 168.5° | 50.2° |
| CAK | CAF | CAD | CAC | 4.6° | 129.7° |
| CAK | CAF | CAG | H2 | 178.1° | 179.8° |
| CAF | CAK | CAJ | H3 | 179.5° | 179.7° |
| CAF | CAD | CAE | CBA | 5.3° | 0.0° |
| CAF | CAD | CAE | CAC | 174.1° | 180.0° |
| CAF | CAD | CAE | NAA | 176.5° | 180.0° |
| CAF | CAD | CAC | NAB | 177.1° | 180.0° |
| CAF | CAD | CAC | H1 | 2.9° | 0.2° |
| CAD | CAF | CAG | H2 | 2.7° | 0.1° |
| CAD | CAF | CAK | H4 | 2.5° | 0.3° |
| FBB | CBA | FBC | CAE | 116.4° | 120.0° |
| FBB | CBA | CAE | CAD | 69.8° | 180.0° |
| FBB | CBA | CAE | NAA | 108.2° | 0.0° |
| FBC | CBA | CAE | CAD | 172.3° | 60.0° |
| FBC | CBA | CAE | NAA | 9.7° | 120.0° |
| CBA | CAE | CAD | NAA | 178.2° | 180.0° |
| CBA | CAE | CAD | CAC | 179.4° | 179.9° |
| CBA | CAE | NAA | NAB | 179.9° | 180.0° |
| CBA | CAE | NAA | H15 | 0.1° | 0.0° |
| CAE | CAD | CAC | NAB | 2.2° | 0.0° |
| CAD | CAE | NAA | NAB | 1.7° | 0.0° |
| CAE | CAD | CAC | H1 | 177.8° | 179.8° |
| CAD | CAE | NAA | H15 | 178.3° | 180.0° |
| CAC | CAD | CAE | NAA | 2.4° | 0.0° |
| CAD | CAC | NAB | H1 | 180.0° | 179.8° |
| CAD | CAC | NAB | NAA | 1.4° | 0.0° |
| CAE | NAA | NAB | CAC | 0.2° | 0.0° |
| CAE | NAA | NAB | H15 | 180.0° | 180.0° |
| CAC | NAB | NAA | H15 | 179.8° | 180.0° |
| NAA | NAB | CAC | H1 | 178.6° | 179.8° |
| H3 | CAJ | CAK | H4 | 0.5° | 0.3° |
| H5 | CAL | CAM | H6 | 0.1° | 0.0° |
| H12 | CAZ | H13 | H14 | 120.0° | 120.0° |
| H12 | CAZ | NAX | H16 | 0.0° | 119.9° |
| H13 | CAZ | NAX | H16 | 120.0° | 0.1° |
| H14 | CAZ | NAX | H16 | 120.0° | 120.1° |
