YDW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAX | CAW | doub | 1.22Å | 1.20Å | |
| CAW | CAU | sing | 1.48Å | 1.56Å | |
| CAW | NAY | sing | 1.35Å | 1.45Å | |
| CAZ | NAY | sing | 1.46Å | 1.47Å | |
| CAT | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.40Å | 1.38Å | Aromatic |
| CAS | CAR | doub | 1.38Å | 1.40Å | Aromatic |
| CAV | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAP | sing | 1.51Å | 1.56Å | |
| CAP | NAN | sing | 1.47Å | 1.46Å | |
| CAM | NAN | sing | 1.36Å | 1.33Å | |
| CAM | CAL | doub | 1.34Å | 1.40Å | |
| NAN | CAO | sing | 1.35Å | 1.32Å | |
| CAL | CAH | sing | 1.46Å | 1.44Å | |
| CAO | OBE | doub | 1.22Å | 1.39Å | |
| CAO | CAI | sing | 1.47Å | 1.44Å | |
| CAH | CAI | doub | 1.42Å | 1.36Å | Aromatic |
| CAH | CAG | sing | 1.39Å | 1.42Å | Aromatic |
| CAI | CAJ | sing | 1.40Å | 1.43Å | Aromatic |
| CAG | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| FBD | CBA | sing | 1.40Å | 1.35Å | |
| CAJ | CAK | doub | 1.36Å | 1.39Å | Aromatic |
| CAF | CAK | sing | 1.40Å | 1.39Å | Aromatic |
| CAF | CAD | sing | 1.48Å | 1.52Å | |
| FBB | CBA | sing | 1.40Å | 1.38Å | |
| CBA | FBC | sing | 1.40Å | 1.37Å | |
| CBA | CAE | sing | 1.51Å | 1.52Å | |
| CAD | CAE | doub | 1.37Å | 1.41Å | Aromatic |
| CAD | CAC | sing | 1.41Å | 1.41Å | Aromatic |
| CAE | NAA | sing | 1.35Å | 1.31Å | Aromatic |
| CAC | NAB | doub | 1.31Å | 1.31Å | 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 | |
| CAS | H10 | sing | 1.08Å | 1.08Å | |
| CAT | H11 | sing | 1.08Å | 1.08Å | |
| CAV | H12 | sing | 1.08Å | 1.08Å | |
| CAZ | H13 | sing | 1.09Å | 1.10Å | |
| CAZ | H14 | sing | 1.09Å | 1.10Å | |
| CAZ | H15 | sing | 1.09Å | 1.10Å | |
| NAA | H16 | sing | 0.97Å | 1.00Å | |
| NAY | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAX | CAW | CAU | 120.3° | 120.0° |
| OAX | CAW | NAY | 119.1° | 120.0° |
| CAU | CAW | NAY | 120.6° | 120.0° |
| CAW | CAU | CAT | 121.1° | 120.1° |
| CAW | CAU | CAV | 118.8° | 120.1° |
| CAW | NAY | CAZ | 117.5° | 120.0° |
| CAW | NAY | H17 | 121.3° | 120.0° |
| NAY | CAZ | H13 | 109.5° | 109.5° |
| NAY | CAZ | H14 | 109.5° | 109.5° |
| NAY | CAZ | H15 | 109.5° | 109.5° |
| CAZ | NAY | H17 | 121.2° | 120.0° |
| CAU | CAT | CAS | 120.0° | 119.8° |
| CAT | CAU | CAV | 120.1° | 119.7° |
| CAU | CAT | H11 | 120.0° | 120.1° |
| CAT | CAS | CAR | 119.8° | 120.1° |
| CAT | CAS | H10 | 120.1° | 119.9° |
| CAS | CAT | H11 | 120.0° | 120.1° |
| CAU | CAV | CAQ | 120.3° | 119.8° |
| CAU | CAV | H12 | 119.8° | 120.1° |
| CAS | CAR | CAQ | 119.8° | 120.3° |
| CAS | CAR | H9 | 120.1° | 119.8° |
| CAR | CAS | H10 | 120.1° | 119.9° |
| CAV | CAQ | CAR | 120.0° | 120.2° |
| CAV | CAQ | CAP | 118.8° | 119.9° |
| CAQ | CAV | H12 | 119.9° | 120.1° |
| CAR | CAQ | CAP | 121.2° | 120.0° |
| CAQ | CAR | H9 | 120.1° | 119.9° |
| CAQ | CAP | NAN | 109.6° | 109.5° |
| CAQ | CAP | H7 | 109.4° | 109.5° |
| CAQ | CAP | H8 | 109.4° | 109.5° |
| CAP | NAN | CAM | 121.8° | 118.8° |
| CAP | NAN | CAO | 116.0° | 118.8° |
| NAN | CAP | H7 | 109.4° | 109.5° |
| NAN | CAP | H8 | 109.4° | 109.4° |
| NAN | CAM | CAL | 120.3° | 122.4° |
| CAM | NAN | CAO | 122.2° | 122.3° |
| NAN | CAM | H6 | 119.8° | 118.8° |
| CAM | CAL | CAH | 119.3° | 119.4° |
| CAM | CAL | H5 | 120.3° | 120.3° |
| CAL | CAM | H6 | 119.8° | 118.8° |
| NAN | CAO | OBE | 116.4° | 120.4° |
| NAN | CAO | CAI | 120.9° | 119.3° |
| CAL | CAH | CAI | 118.2° | 118.4° |
| CAL | CAH | CAG | 121.8° | 121.9° |
| CAH | CAL | H5 | 120.3° | 120.3° |
| OBE | CAO | CAI | 122.7° | 120.3° |
| CAO | CAI | CAH | 119.0° | 118.2° |
| CAO | CAI | CAJ | 121.6° | 121.9° |
| CAI | CAH | CAG | 120.0° | 119.7° |
| CAH | CAI | CAJ | 119.5° | 119.9° |
| CAH | CAG | CAF | 121.0° | 119.3° |
| CAH | CAG | H2 | 119.5° | 120.3° |
| CAI | CAJ | CAK | 119.9° | 119.8° |
| CAI | CAJ | H3 | 120.0° | 120.1° |
| CAG | CAF | CAK | 119.0° | 120.5° |
| CAG | CAF | CAD | 123.4° | 119.8° |
| CAF | CAG | H2 | 119.5° | 120.4° |
| FBD | CBA | FBB | 109.5° | 109.5° |
| FBD | CBA | FBC | 109.4° | 109.4° |
| FBD | CBA | CAE | 110.6° | 109.5° |
| CAJ | CAK | CAF | 120.7° | 120.8° |
| CAK | CAJ | H3 | 120.1° | 120.1° |
| CAJ | CAK | H4 | 119.7° | 119.7° |
| CAK | CAF | CAD | 117.6° | 119.8° |
| CAF | CAK | H4 | 119.7° | 119.6° |
| CAF | CAD | CAE | 132.5° | 126.2° |
| CAF | CAD | CAC | 124.4° | 126.3° |
| FBB | CBA | FBC | 111.5° | 109.5° |
| FBB | CBA | CAE | 109.2° | 109.5° |
| FBC | CBA | CAE | 106.6° | 109.5° |
| CBA | CAE | CAD | 129.5° | 126.2° |
| CBA | CAE | NAA | 121.7° | 126.2° |
| CAE | CAD | CAC | 103.2° | 107.6° |
| CAD | CAE | NAA | 108.8° | 107.6° |
| CAD | CAC | NAB | 107.9° | 108.1° |
| CAD | CAC | H1 | 126.1° | 126.0° |
| CAE | NAA | NAB | 109.2° | 108.3° |
| CAE | NAA | H16 | 125.4° | 125.9° |
| CAC | NAB | NAA | 110.9° | 108.5° |
| NAB | CAC | H1 | 126.0° | 125.9° |
| NAB | NAA | H16 | 125.4° | 125.9° |
| H7 | CAP | H8 | 109.5° | 109.5° |
| H13 | CAZ | H14 | 109.4° | 109.5° |
| H13 | CAZ | H15 | 109.4° | 109.4° |
| H14 | CAZ | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAX | CAW | CAU | NAY | 179.3° | 180.0° |
| OAX | CAW | NAY | CAZ | 0.3° | 0.0° |
| OAX | CAW | CAU | CAT | 41.9° | 180.0° |
| OAX | CAW | CAU | CAV | 136.6° | 0.2° |
| OAX | CAW | NAY | H17 | 179.7° | 180.0° |
| CAU | CAW | NAY | CAZ | 179.0° | 180.0° |
| CAW | CAU | CAT | CAV | 178.5° | 179.8° |
| CAW | CAU | CAT | CAS | 179.1° | 179.9° |
| CAW | CAU | CAV | CAQ | 179.2° | 179.7° |
| CAW | CAU | CAT | H11 | 0.8° | 0.3° |
| CAW | CAU | CAV | H12 | 0.8° | 0.2° |
| CAU | CAW | NAY | H17 | 1.0° | 0.0° |
| CAW | NAY | CAZ | H17 | 180.0° | 180.0° |
| NAY | CAW | CAU | CAT | 138.8° | 0.0° |
| NAY | CAW | CAU | CAV | 42.7° | 179.8° |
| CAW | NAY | CAZ | H13 | 180.0° | 60.0° |
| CAW | NAY | CAZ | H14 | 60.0° | 180.0° |
| CAW | NAY | CAZ | H15 | 60.0° | 59.9° |
| NAY | CAZ | H13 | H14 | 120.0° | 120.1° |
| NAY | CAZ | H13 | H15 | 120.0° | 120.0° |
| NAY | CAZ | H14 | H15 | 120.0° | 120.0° |
| CAU | CAT | CAS | H11 | 180.0° | 179.6° |
| CAU | CAT | CAS | CAR | 0.3° | 0.1° |
| CAT | CAU | CAV | CAQ | 0.6° | 0.6° |
| CAU | CAT | CAS | H10 | 179.7° | 180.0° |
| CAT | CAU | CAV | H12 | 179.4° | 180.0° |
| CAS | CAT | CAU | CAV | 0.6° | 0.3° |
| CAT | CAS | CAR | H10 | 180.0° | 179.9° |
| CAT | CAS | CAR | CAQ | 0.1° | 0.1° |
| CAT | CAS | CAR | H9 | 180.0° | 179.9° |
| CAU | CAV | CAQ | H12 | 180.0° | 179.4° |
| CAU | CAV | CAQ | CAR | 0.4° | 0.6° |
| CAU | CAV | CAQ | CAP | 180.0° | 179.7° |
| CAV | CAU | CAT | H11 | 179.4° | 180.0° |
| CAS | CAR | CAQ | CAV | 0.1° | 0.4° |
| CAS | CAR | CAQ | H9 | 180.0° | 179.9° |
| CAS | CAR | CAQ | CAP | 179.7° | 180.0° |
| CAR | CAS | CAT | H11 | 179.7° | 179.7° |
| CAV | CAQ | CAR | CAP | 179.6° | 179.7° |
| CAV | CAQ | CAP | NAN | 152.6° | 90.3° |
| CAV | CAQ | CAP | H7 | 32.6° | 29.7° |
| CAV | CAQ | CAP | H8 | 87.4° | 149.7° |
| CAV | CAQ | CAR | H9 | 179.9° | 179.7° |
| CAR | CAQ | CAP | NAN | 27.9° | 90.0° |
| CAR | CAQ | CAP | H7 | 147.8° | 150.0° |
| CAR | CAQ | CAP | H8 | 92.2° | 29.9° |
| CAQ | CAR | CAS | H10 | 179.9° | 179.9° |
| CAR | CAQ | CAV | H12 | 179.6° | 179.9° |
| CAQ | CAP | NAN | H7 | 120.0° | 120.0° |
| CAQ | CAP | NAN | H8 | 120.0° | 120.0° |
| CAQ | CAP | NAN | CAM | 103.2° | 90.0° |
| CAQ | CAP | NAN | CAO | 77.7° | 90.0° |
| CAQ | CAP | H7 | H8 | 119.9° | 120.0° |
| CAP | CAQ | CAR | H9 | 0.4° | 0.0° |
| CAP | CAQ | CAV | H12 | 0.1° | 0.3° |
| CAP | NAN | CAM | CAO | 179.1° | 180.0° |
| CAP | NAN | CAM | CAL | 178.9° | 179.9° |
| CAP | NAN | CAO | OBE | 1.1° | 0.0° |
| CAP | NAN | CAO | CAI | 179.1° | 180.0° |
| CAP | NAN | CAM | H6 | 1.1° | 0.1° |
| NAN | CAP | H7 | H8 | 120.0° | 119.9° |
| NAN | CAM | CAL | H6 | 180.0° | 179.9° |
| NAN | CAM | CAL | CAH | 0.3° | 0.1° |
| CAM | NAN | CAO | OBE | 179.7° | 180.0° |
| CAM | NAN | CAO | CAI | 0.0° | 0.0° |
| NAN | CAM | CAL | H5 | 179.7° | 180.0° |
| CAM | NAN | CAP | H7 | 136.8° | 30.1° |
| CAM | NAN | CAP | H8 | 16.8° | 150.0° |
| CAL | CAM | NAN | CAO | 0.1° | 0.1° |
| CAM | CAL | CAH | H5 | 180.0° | 179.9° |
| CAM | CAL | CAH | CAI | 0.3° | 0.0° |
| CAM | CAL | CAH | CAG | 179.7° | 180.0° |
| NAN | CAO | OBE | CAI | 179.8° | 179.9° |
| NAN | CAO | CAI | CAH | 0.1° | 0.1° |
| NAN | CAO | CAI | CAJ | 180.0° | 180.0° |
| CAO | NAN | CAM | H6 | 179.9° | 180.0° |
| CAO | NAN | CAP | H7 | 42.3° | 150.0° |
| CAO | NAN | CAP | H8 | 162.3° | 30.0° |
| CAL | CAH | CAI | CAO | 0.2° | 0.1° |
| CAL | CAH | CAI | CAG | 179.9° | 180.0° |
| CAL | CAH | CAI | CAJ | 179.9° | 180.0° |
| CAL | CAH | CAG | CAF | 179.7° | 180.0° |
| CAL | CAH | CAG | H2 | 0.3° | 0.0° |
| CAH | CAL | CAM | H6 | 179.7° | 180.0° |
| OBE | CAO | CAI | CAH | 179.7° | 180.0° |
| OBE | CAO | CAI | CAJ | 0.2° | 0.1° |
| CAO | CAI | CAH | CAJ | 179.9° | 179.9° |
| CAO | CAI | CAH | CAG | 179.8° | 180.0° |
| CAO | CAI | CAJ | CAK | 179.1° | 179.9° |
| CAO | CAI | CAJ | H3 | 0.9° | 0.0° |
| CAI | CAH | CAG | CAF | 0.4° | 0.1° |
| CAH | CAI | CAJ | CAK | 0.8° | 0.0° |
| CAI | CAH | CAG | H2 | 179.6° | 180.0° |
| CAH | CAI | CAJ | H3 | 179.2° | 179.9° |
| CAI | CAH | CAL | H5 | 179.7° | 179.9° |
| CAG | CAH | CAI | CAJ | 0.1° | 0.1° |
| CAH | CAG | CAF | H2 | 180.0° | 180.0° |
| CAH | CAG | CAF | CAK | 0.1° | 0.1° |
| CAH | CAG | CAF | CAD | 179.5° | 179.7° |
| CAG | CAH | CAL | H5 | 0.3° | 0.0° |
| CAI | CAJ | CAK | H3 | 180.0° | 180.0° |
| CAI | CAJ | CAK | CAF | 1.0° | 0.1° |
| CAI | CAJ | CAK | H4 | 179.0° | 179.8° |
| CAG | CAF | CAK | CAJ | 0.6° | 0.1° |
| CAG | CAF | CAK | CAD | 179.7° | 179.6° |
| CAG | CAF | CAD | CAE | 0.5° | 130.3° |
| CAG | CAF | CAD | CAC | 179.6° | 49.6° |
| CAG | CAF | CAK | H4 | 179.4° | 179.8° |
| FBD | CBA | FBB | FBC | 121.2° | 120.0° |
| FBD | CBA | FBB | CAE | 121.2° | 120.0° |
| FBD | CBA | FBC | CAE | 119.7° | 120.0° |
| FBD | CBA | CAE | CAD | 53.1° | 60.1° |
| FBD | CBA | CAE | NAA | 128.4° | 120.0° |
| CAJ | CAK | CAF | H4 | 180.0° | 179.8° |
| CAJ | CAK | CAF | CAD | 179.8° | 179.7° |
| CAK | CAF | CAD | CAE | 179.2° | 50.1° |
| CAK | CAF | CAD | CAC | 0.8° | 130.0° |
| CAK | CAF | CAG | H2 | 179.8° | 180.0° |
| CAF | CAK | CAJ | H3 | 179.0° | 179.9° |
| CAF | CAD | CAE | CBA | 1.2° | 0.1° |
| CAF | CAD | CAE | CAC | 180.0° | 179.9° |
| CAF | CAD | CAE | NAA | 179.8° | 180.0° |
| CAF | CAD | CAC | NAB | 179.9° | 180.0° |
| CAF | CAD | CAC | H1 | 0.1° | 0.3° |
| CAD | CAF | CAG | H2 | 0.5° | 0.3° |
| CAD | CAF | CAK | H4 | 0.2° | 0.2° |
| FBB | CBA | FBC | CAE | 119.1° | 120.0° |
| FBB | CBA | CAE | CAD | 67.4° | 59.9° |
| FBB | CBA | CAE | NAA | 111.1° | 119.9° |
| FBC | CBA | CAE | CAD | 172.0° | 180.0° |
| FBC | CBA | CAE | NAA | 9.5° | 0.1° |
| CBA | CAE | CAD | NAA | 178.6° | 179.9° |
| CBA | CAE | CAD | CAC | 178.8° | 180.0° |
| CBA | CAE | NAA | NAB | 179.0° | 179.9° |
| CBA | CAE | NAA | H16 | 1.0° | 0.1° |
| CAE | CAD | CAC | NAB | 0.1° | 0.1° |
| CAD | CAE | NAA | NAB | 0.2° | 0.0° |
| CAE | CAD | CAC | H1 | 179.9° | 179.8° |
| CAD | CAE | NAA | H16 | 179.8° | 180.0° |
| CAC | CAD | CAE | NAA | 0.2° | 0.1° |
| CAD | CAC | NAB | H1 | 180.0° | 179.7° |
| CAD | CAC | NAB | NAA | 0.0° | 0.1° |
| CAE | NAA | NAB | CAC | 0.1° | 0.0° |
| CAE | NAA | NAB | H16 | 180.0° | 180.0° |
| CAC | NAB | NAA | H16 | 179.9° | 180.0° |
| NAA | NAB | CAC | H1 | 180.0° | 179.7° |
| H3 | CAJ | CAK | H4 | 1.0° | 0.2° |
| H5 | CAL | CAM | H6 | 0.3° | 0.1° |
| H9 | CAR | CAS | H10 | 0.0° | 0.0° |
| H10 | CAS | CAT | H11 | 0.3° | 0.3° |
| H13 | CAZ | H14 | H15 | 120.0° | 119.9° |
| H13 | CAZ | NAY | H17 | 0.0° | 120.0° |
| H14 | CAZ | NAY | H17 | 120.0° | 0.0° |
| H15 | CAZ | NAY | H17 | 120.0° | 120.0° |
