YE5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAK | sing | 1.53Å | 1.53Å | |
| CAK | OAP | sing | 1.43Å | 1.43Å | |
| OAP | CAU | sing | 1.36Å | 1.36Å | |
| CAH | CAU | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAU | CAV | sing | 1.40Å | 1.39Å | Aromatic |
| CAG | CAR | doub | 1.40Å | 1.40Å | Aromatic |
| CAV | CAS | sing | 1.48Å | 1.42Å | |
| CAV | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAE | CAS | doub | 1.39Å | 1.40Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CAI | sing | 1.39Å | 1.41Å | Aromatic |
| CAR | CAJ | sing | 1.40Å | 1.40Å | Aromatic |
| CAR | CAQ | sing | 1.47Å | 1.41Å | |
| CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| OAC | CAQ | doub | 1.21Å | 1.24Å | |
| CAI | CAT | doub | 1.39Å | 1.41Å | Aromatic |
| CAQ | CAB | sing | 1.51Å | 1.53Å | |
| CAF | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| CAT | CAW | sing | 1.48Å | 1.37Å | |
| CAW | NAN | sing | 1.34Å | 1.33Å | Aromatic |
| CAW | NAM | doub | 1.32Å | 1.33Å | Aromatic |
| NAN | NAO | doub | 1.29Å | 1.29Å | Aromatic |
| NAM | NAL | sing | 1.29Å | 1.32Å | Aromatic |
| NAO | NAL | sing | 1.29Å | 1.27Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAH | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| NAL | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAK | OAP | 107.6° | 109.5° |
| CAK | CAA | H1 | 109.5° | 109.5° |
| CAK | CAA | H2 | 109.5° | 109.5° |
| CAK | CAA | H3 | 109.5° | 109.5° |
| CAA | CAK | H14 | 109.9° | 109.5° |
| CAA | CAK | H15 | 110.0° | 109.5° |
| CAK | OAP | CAU | 117.1° | 117.0° |
| OAP | CAK | H14 | 109.9° | 109.5° |
| OAP | CAK | H15 | 109.9° | 109.5° |
| OAP | CAU | CAH | 123.4° | 119.9° |
| OAP | CAU | CAV | 115.0° | 120.0° |
| CAU | CAH | CAG | 120.1° | 120.3° |
| CAH | CAU | CAV | 121.6° | 120.1° |
| CAU | CAH | H11 | 119.9° | 119.8° |
| CAH | CAG | CAR | 120.4° | 120.1° |
| CAH | CAG | H10 | 119.8° | 120.0° |
| CAG | CAH | H11 | 119.9° | 119.9° |
| CAU | CAV | CAS | 124.2° | 120.1° |
| CAU | CAV | CAJ | 116.6° | 119.8° |
| CAG | CAR | CAJ | 117.8° | 119.9° |
| CAG | CAR | CAQ | 119.4° | 120.1° |
| CAR | CAG | H10 | 119.8° | 119.9° |
| CAS | CAV | CAJ | 119.2° | 120.1° |
| CAV | CAS | CAE | 119.0° | 120.0° |
| CAV | CAS | CAI | 122.8° | 120.1° |
| CAV | CAJ | CAR | 123.5° | 119.8° |
| CAV | CAJ | H13 | 118.3° | 120.1° |
| CAS | CAE | CAD | 121.0° | 120.1° |
| CAE | CAS | CAI | 118.1° | 119.9° |
| CAS | CAE | H8 | 119.5° | 119.9° |
| CAE | CAD | CAF | 119.6° | 120.3° |
| CAE | CAD | H7 | 120.2° | 119.9° |
| CAD | CAE | H8 | 119.5° | 120.0° |
| CAS | CAI | CAT | 121.9° | 119.8° |
| CAS | CAI | H12 | 119.0° | 120.1° |
| CAJ | CAR | CAQ | 122.8° | 120.1° |
| CAR | CAJ | H13 | 118.2° | 120.1° |
| CAR | CAQ | OAC | 122.3° | 120.0° |
| CAR | CAQ | CAB | 118.8° | 120.0° |
| CAD | CAF | CAT | 121.9° | 120.1° |
| CAF | CAD | H7 | 120.2° | 119.8° |
| CAD | CAF | H9 | 119.0° | 119.9° |
| OAC | CAQ | CAB | 118.2° | 120.0° |
| CAI | CAT | CAF | 117.6° | 119.8° |
| CAI | CAT | CAW | 123.8° | 120.1° |
| CAT | CAI | H12 | 119.1° | 120.1° |
| CAQ | CAB | H4 | 109.5° | 109.5° |
| CAQ | CAB | H5 | 109.5° | 109.5° |
| CAQ | CAB | H6 | 109.4° | 109.5° |
| CAF | CAT | CAW | 118.6° | 120.1° |
| CAT | CAF | H9 | 119.1° | 119.9° |
| CAT | CAW | NAN | 126.5° | 126.6° |
| CAT | CAW | NAM | 127.1° | 126.7° |
| NAN | CAW | NAM | 106.2° | 106.7° |
| CAW | NAN | NAO | 108.2° | 107.2° |
| CAW | NAM | NAL | 107.2° | 107.8° |
| NAN | NAO | NAL | 109.7° | 108.9° |
| NAM | NAL | NAO | 108.8° | 109.3° |
| NAM | NAL | H16 | 125.6° | 125.3° |
| NAO | NAL | H16 | 125.6° | 125.3° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.4° |
| H14 | CAK | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAK | OAP | H14 | 119.7° | 120.0° |
| CAA | CAK | OAP | H15 | 119.7° | 120.1° |
| CAA | CAK | OAP | CAU | 171.1° | 180.0° |
| CAK | CAA | H1 | H2 | 120.0° | 120.0° |
| CAK | CAA | H1 | H3 | 120.0° | 120.0° |
| CAK | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAK | H14 | H15 | 120.9° | 120.0° |
| CAK | OAP | CAU | CAH | 11.1° | 0.0° |
| CAK | OAP | CAU | CAV | 169.6° | 179.9° |
| OAP | CAK | CAA | H1 | 180.0° | 60.0° |
| OAP | CAK | CAA | H2 | 60.0° | 180.0° |
| OAP | CAK | CAA | H3 | 60.0° | 60.0° |
| OAP | CAK | H14 | H15 | 120.9° | 120.0° |
| OAP | CAU | CAH | CAV | 179.3° | 179.9° |
| OAP | CAU | CAH | CAG | 179.8° | 179.9° |
| OAP | CAU | CAV | CAS | 0.1° | 0.1° |
| OAP | CAU | CAV | CAJ | 179.7° | 179.7° |
| OAP | CAU | CAH | H11 | 0.2° | 0.0° |
| CAU | OAP | CAK | H14 | 69.2° | 60.0° |
| CAU | OAP | CAK | H15 | 51.4° | 59.9° |
| CAU | CAH | CAG | H11 | 180.0° | 179.9° |
| CAU | CAH | CAG | CAR | 0.1° | 0.1° |
| CAH | CAU | CAV | CAS | 179.5° | 180.0° |
| CAH | CAU | CAV | CAJ | 0.9° | 0.2° |
| CAU | CAH | CAG | H10 | 179.9° | 179.7° |
| CAG | CAH | CAU | CAV | 0.9° | 0.0° |
| CAH | CAG | CAR | H10 | 180.0° | 179.6° |
| CAH | CAG | CAR | CAJ | 0.6° | 0.4° |
| CAH | CAG | CAR | CAQ | 177.6° | 179.6° |
| CAU | CAV | CAS | CAJ | 179.6° | 179.8° |
| CAU | CAV | CAS | CAE | 120.3° | 50.1° |
| CAU | CAV | CAS | CAI | 62.2° | 129.9° |
| CAU | CAV | CAJ | CAR | 0.2° | 0.5° |
| CAV | CAU | CAH | H11 | 179.1° | 179.9° |
| CAU | CAV | CAJ | H13 | 179.8° | 179.9° |
| CAG | CAR | CAJ | CAV | 0.5° | 0.6° |
| CAG | CAR | CAJ | CAQ | 178.2° | 180.0° |
| CAG | CAR | CAQ | OAC | 3.2° | 5.5° |
| CAG | CAR | CAQ | CAB | 167.2° | 174.5° |
| CAR | CAG | CAH | H11 | 179.9° | 180.0° |
| CAG | CAR | CAJ | H13 | 179.5° | 180.0° |
| CAV | CAS | CAE | CAI | 177.7° | 180.0° |
| CAV | CAS | CAE | CAD | 177.4° | 180.0° |
| CAS | CAV | CAJ | CAR | 179.8° | 179.7° |
| CAV | CAS | CAI | CAT | 177.5° | 179.7° |
| CAV | CAS | CAE | H8 | 2.6° | 0.0° |
| CAV | CAS | CAI | H12 | 2.5° | 0.3° |
| CAS | CAV | CAJ | H13 | 0.2° | 0.3° |
| CAJ | CAV | CAS | CAE | 60.1° | 129.7° |
| CAJ | CAV | CAS | CAI | 117.4° | 50.3° |
| CAV | CAJ | CAR | H13 | 180.0° | 179.5° |
| CAV | CAJ | CAR | CAQ | 177.6° | 179.4° |
| CAS | CAE | CAD | H8 | 180.0° | 180.0° |
| CAS | CAE | CAD | CAF | 0.0° | 0.0° |
| CAE | CAS | CAI | CAT | 0.0° | 0.3° |
| CAS | CAE | CAD | H7 | 180.0° | 179.8° |
| CAE | CAS | CAI | H12 | 180.0° | 179.7° |
| CAD | CAE | CAS | CAI | 0.2° | 0.0° |
| CAE | CAD | CAF | H7 | 180.0° | 179.8° |
| CAE | CAD | CAF | CAT | 0.3° | 0.3° |
| CAE | CAD | CAF | H9 | 179.7° | 179.7° |
| CAS | CAI | CAT | H12 | 180.0° | 179.4° |
| CAS | CAI | CAT | CAF | 0.3° | 0.5° |
| CAS | CAI | CAT | CAW | 177.9° | 179.9° |
| CAI | CAS | CAE | H8 | 179.8° | 180.0° |
| CAJ | CAR | CAQ | OAC | 178.7° | 174.5° |
| CAJ | CAR | CAQ | CAB | 11.0° | 5.5° |
| CAJ | CAR | CAG | H10 | 179.4° | 180.0° |
| CAR | CAQ | OAC | CAB | 170.4° | 179.9° |
| CAR | CAQ | CAB | H4 | 170.8° | 5.0° |
| CAR | CAQ | CAB | H5 | 50.8° | 115.0° |
| CAR | CAQ | CAB | H6 | 69.2° | 125.1° |
| CAQ | CAR | CAG | H10 | 2.4° | 0.1° |
| CAQ | CAR | CAJ | H13 | 2.4° | 0.0° |
| CAD | CAF | CAT | CAI | 0.5° | 0.5° |
| CAD | CAF | CAT | H9 | 180.0° | 179.9° |
| CAD | CAF | CAT | CAW | 178.3° | 179.9° |
| CAF | CAD | CAE | H8 | 180.0° | 180.0° |
| OAC | CAQ | CAB | H4 | 0.0° | 174.9° |
| OAC | CAQ | CAB | H5 | 120.0° | 65.1° |
| OAC | CAQ | CAB | H6 | 120.0° | 54.9° |
| CAI | CAT | CAF | CAW | 177.8° | 179.4° |
| CAI | CAT | CAW | NAN | 169.5° | 0.6° |
| CAI | CAT | CAW | NAM | 14.6° | 179.6° |
| CAI | CAT | CAF | H9 | 179.5° | 179.4° |
| CAQ | CAB | H4 | H5 | 120.0° | 120.0° |
| CAQ | CAB | H4 | H6 | 120.0° | 120.1° |
| CAQ | CAB | H5 | H6 | 120.0° | 120.0° |
| CAF | CAT | CAW | NAN | 12.9° | 180.0° |
| CAF | CAT | CAW | NAM | 163.0° | 0.2° |
| CAT | CAF | CAD | H7 | 179.6° | 180.0° |
| CAF | CAT | CAI | H12 | 179.7° | 180.0° |
| CAT | CAW | NAN | NAM | 176.6° | 179.8° |
| CAT | CAW | NAN | NAO | 177.8° | 180.0° |
| CAT | CAW | NAM | NAL | 177.8° | 180.0° |
| CAW | CAT | CAF | H9 | 1.7° | 0.0° |
| CAW | CAT | CAI | H12 | 2.1° | 0.6° |
| NAN | CAW | NAM | NAL | 1.3° | 0.2° |
| CAW | NAN | NAO | NAL | 0.6° | 0.2° |
| NAM | CAW | NAN | NAO | 1.2° | 0.2° |
| CAW | NAM | NAL | NAO | 0.9° | 0.1° |
| CAW | NAM | NAL | H16 | 179.1° | 179.9° |
| NAN | NAO | NAL | NAM | 0.2° | 0.1° |
| NAN | NAO | NAL | H16 | 179.8° | 179.9° |
| NAM | NAL | NAO | H16 | 180.0° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAK | H14 | 60.3° | 180.0° |
| H1 | CAA | CAK | H15 | 60.3° | 60.1° |
| H2 | CAA | CAK | H14 | 59.7° | 60.0° |
| H2 | CAA | CAK | H15 | 179.7° | 59.9° |
| H3 | CAA | CAK | H14 | 179.7° | 60.1° |
| H3 | CAA | CAK | H15 | 59.7° | 180.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAD | CAE | H8 | 0.0° | 0.3° |
| H7 | CAD | CAF | H9 | 0.4° | 0.1° |
| H10 | CAG | CAH | H11 | 0.1° | 0.5° |
