YEI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAU | CAR | doub | 1.22Å | 1.18Å | |
| CAT | NAS | sing | 1.46Å | 1.45Å | |
| CAR | CAP | sing | 1.48Å | 1.53Å | |
| CAR | NAS | sing | 1.35Å | 1.43Å | |
| CAO | CAP | doub | 1.40Å | 1.38Å | Aromatic |
| CAO | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAQ | sing | 1.40Å | 1.38Å | Aromatic |
| CAN | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAK | sing | 1.51Å | 1.53Å | |
| CAK | NAI | sing | 1.46Å | 1.45Å | |
| CAH | NAI | sing | 1.37Å | 1.34Å | |
| CAH | CAG | doub | 1.34Å | 1.40Å | |
| NAI | CAJ | sing | 1.35Å | 1.31Å | |
| CAG | CAC | sing | 1.47Å | 1.43Å | |
| CAJ | OAV | doub | 1.22Å | 1.38Å | |
| CAJ | CAD | sing | 1.47Å | 1.42Å | |
| CAC | CAD | doub | 1.42Å | 1.37Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.43Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.41Å | Aromatic |
| CAB | CAA | doub | 1.39Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.36Å | 1.39Å | Aromatic |
| CBB | CAX | sing | 1.51Å | 1.49Å | |
| CAA | CAF | sing | 1.40Å | 1.39Å | Aromatic |
| CAA | CAW | sing | 1.48Å | 1.55Å | |
| CAX | CAW | sing | 1.42Å | 1.45Å | Aromatic |
| CAX | NAY | doub | 1.30Å | 1.31Å | Aromatic |
| CAW | CBA | doub | 1.37Å | 1.42Å | Aromatic |
| NAY | OAZ | sing | 1.21Å | 1.34Å | Aromatic |
| CBA | OAZ | sing | 1.34Å | 1.31Å | Aromatic |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAK | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.08Å | 1.08Å | |
| CAN | H9 | sing | 1.08Å | 1.08Å | |
| CAO | H10 | sing | 1.08Å | 1.08Å | |
| CAQ | H11 | sing | 1.08Å | 1.08Å | |
| CAT | H12 | sing | 1.09Å | 1.10Å | |
| CAT | H13 | sing | 1.09Å | 1.10Å | |
| CAT | H14 | sing | 1.09Å | 1.10Å | |
| CBA | H15 | sing | 1.08Å | 1.08Å | |
| CBB | H16 | sing | 1.09Å | 1.10Å | |
| CBB | H17 | sing | 1.09Å | 1.10Å | |
| CBB | H18 | sing | 1.09Å | 1.10Å | |
| NAS | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAU | CAR | CAP | 120.3° | 120.0° |
| OAU | CAR | NAS | 116.7° | 120.0° |
| CAT | NAS | CAR | 114.0° | 120.0° |
| NAS | CAT | H12 | 109.5° | 109.5° |
| NAS | CAT | H13 | 109.5° | 109.4° |
| NAS | CAT | H14 | 109.4° | 109.5° |
| CAT | NAS | H19 | 123.0° | 120.0° |
| CAP | CAR | NAS | 123.0° | 120.0° |
| CAR | CAP | CAO | 120.3° | 120.1° |
| CAR | CAP | CAQ | 119.3° | 120.2° |
| CAR | NAS | H19 | 123.0° | 120.0° |
| CAP | CAO | CAN | 119.9° | 119.8° |
| CAO | CAP | CAQ | 120.3° | 119.7° |
| CAP | CAO | H10 | 120.0° | 120.1° |
| CAO | CAN | CAM | 119.9° | 120.2° |
| CAO | CAN | H9 | 120.1° | 119.9° |
| CAN | CAO | H10 | 120.1° | 120.1° |
| CAP | CAQ | CAL | 120.1° | 119.9° |
| CAP | CAQ | H11 | 119.9° | 120.0° |
| CAN | CAM | CAL | 120.0° | 120.3° |
| CAN | CAM | H8 | 120.0° | 119.9° |
| CAM | CAN | H9 | 120.0° | 119.9° |
| CAQ | CAL | CAM | 119.8° | 120.1° |
| CAQ | CAL | CAK | 118.7° | 119.9° |
| CAL | CAQ | H11 | 119.9° | 120.1° |
| CAM | CAL | CAK | 121.4° | 120.0° |
| CAL | CAM | H8 | 120.0° | 119.8° |
| CAL | CAK | NAI | 111.9° | 109.5° |
| CAL | CAK | H6 | 108.8° | 109.5° |
| CAL | CAK | H7 | 108.9° | 109.4° |
| CAK | NAI | CAH | 122.4° | 118.8° |
| CAK | NAI | CAJ | 115.9° | 118.9° |
| NAI | CAK | H6 | 108.9° | 109.5° |
| NAI | CAK | H7 | 108.9° | 109.4° |
| NAI | CAH | CAG | 121.3° | 122.4° |
| CAH | NAI | CAJ | 121.8° | 122.3° |
| NAI | CAH | H5 | 119.3° | 118.9° |
| CAH | CAG | CAC | 118.1° | 119.4° |
| CAH | CAG | H4 | 121.0° | 120.3° |
| CAG | CAH | H5 | 119.3° | 118.8° |
| NAI | CAJ | OAV | 118.6° | 120.4° |
| NAI | CAJ | CAD | 120.3° | 119.3° |
| CAG | CAC | CAD | 117.9° | 118.3° |
| CAG | CAC | CAB | 123.0° | 121.9° |
| CAC | CAG | H4 | 120.9° | 120.2° |
| OAV | CAJ | CAD | 121.2° | 120.4° |
| CAJ | CAD | CAC | 120.6° | 118.3° |
| CAJ | CAD | CAE | 118.6° | 121.8° |
| CAD | CAC | CAB | 119.1° | 119.8° |
| CAC | CAD | CAE | 120.8° | 119.9° |
| CAC | CAB | CAA | 120.3° | 119.3° |
| CAC | CAB | H1 | 119.9° | 120.3° |
| CAD | CAE | CAF | 119.7° | 119.8° |
| CAD | CAE | H2 | 120.2° | 120.1° |
| CAB | CAA | CAF | 119.1° | 120.4° |
| CAB | CAA | CAW | 124.5° | 119.8° |
| CAA | CAB | H1 | 119.8° | 120.3° |
| CAE | CAF | CAA | 121.1° | 120.8° |
| CAF | CAE | H2 | 120.1° | 120.1° |
| CAE | CAF | H3 | 119.5° | 119.6° |
| CBB | CAX | CAW | 127.8° | 126.9° |
| CBB | CAX | NAY | 123.3° | 126.9° |
| CAX | CBB | H16 | 109.5° | 109.5° |
| CAX | CBB | H17 | 109.5° | 109.5° |
| CAX | CBB | H18 | 109.5° | 109.5° |
| CAF | CAA | CAW | 116.4° | 119.8° |
| CAA | CAF | H3 | 119.5° | 119.6° |
| CAA | CAW | CAX | 130.1° | 128.2° |
| CAA | CAW | CBA | 126.7° | 128.2° |
| CAW | CAX | NAY | 108.9° | 106.2° |
| CAX | CAW | CBA | 103.1° | 103.7° |
| CAX | NAY | OAZ | 108.1° | 112.0° |
| CAW | CBA | OAZ | 107.0° | 106.2° |
| CAW | CBA | H15 | 126.5° | 126.9° |
| NAY | OAZ | CBA | 112.8° | 111.9° |
| OAZ | CBA | H15 | 126.5° | 126.9° |
| H6 | CAK | H7 | 109.5° | 109.5° |
| H12 | CAT | H13 | 109.5° | 109.4° |
| H12 | CAT | H14 | 109.5° | 109.5° |
| H13 | CAT | H14 | 109.5° | 109.4° |
| H16 | CBB | H17 | 109.5° | 109.5° |
| H16 | CBB | H18 | 109.5° | 109.5° |
| H17 | CBB | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAU | CAR | NAS | CAT | 1.3° | 0.0° |
| OAU | CAR | CAP | NAS | 177.9° | 180.0° |
| OAU | CAR | CAP | CAO | 36.0° | 180.0° |
| OAU | CAR | CAP | CAQ | 141.9° | 0.2° |
| OAU | CAR | NAS | H19 | 178.7° | 180.0° |
| CAT | NAS | CAR | CAP | 179.3° | 180.0° |
| CAT | NAS | CAR | H19 | 180.0° | 180.0° |
| NAS | CAT | H12 | H13 | 120.0° | 119.9° |
| NAS | CAT | H12 | H14 | 120.0° | 120.1° |
| NAS | CAT | H13 | H14 | 120.0° | 120.1° |
| CAR | CAP | CAO | CAQ | 178.0° | 179.7° |
| CAR | CAP | CAO | CAN | 178.6° | 180.0° |
| CAR | CAP | CAQ | CAL | 178.4° | 179.7° |
| CAR | CAP | CAO | H10 | 1.4° | 0.3° |
| CAR | CAP | CAQ | H11 | 1.7° | 0.3° |
| CAP | CAR | NAS | H19 | 0.7° | 0.0° |
| NAS | CAR | CAP | CAO | 146.1° | 0.0° |
| NAS | CAR | CAP | CAQ | 35.9° | 179.7° |
| CAR | NAS | CAT | H12 | 180.0° | 60.0° |
| CAR | NAS | CAT | H13 | 60.0° | 60.0° |
| CAR | NAS | CAT | H14 | 60.0° | 180.0° |
| CAP | CAO | CAN | H10 | 180.0° | 179.7° |
| CAP | CAO | CAN | CAM | 0.7° | 0.0° |
| CAO | CAP | CAQ | CAL | 0.4° | 0.6° |
| CAP | CAO | CAN | H9 | 179.3° | 179.9° |
| CAO | CAP | CAQ | H11 | 179.7° | 180.0° |
| CAN | CAO | CAP | CAQ | 0.7° | 0.3° |
| CAO | CAN | CAM | H9 | 180.0° | 179.9° |
| CAO | CAN | CAM | CAL | 0.4° | 0.0° |
| CAO | CAN | CAM | H8 | 179.6° | 180.0° |
| CAP | CAQ | CAL | H11 | 180.0° | 179.4° |
| CAP | CAQ | CAL | CAM | 0.1° | 0.6° |
| CAP | CAQ | CAL | CAK | 179.5° | 179.7° |
| CAQ | CAP | CAO | H10 | 179.3° | 180.0° |
| CAN | CAM | CAL | CAQ | 0.1° | 0.3° |
| CAN | CAM | CAL | H8 | 180.0° | 180.0° |
| CAN | CAM | CAL | CAK | 179.5° | 180.0° |
| CAM | CAN | CAO | H10 | 179.3° | 179.7° |
| CAQ | CAL | CAM | CAK | 179.4° | 179.7° |
| CAQ | CAL | CAK | NAI | 159.4° | 90.3° |
| CAQ | CAL | CAK | H6 | 39.0° | 29.7° |
| CAQ | CAL | CAK | H7 | 80.2° | 149.7° |
| CAQ | CAL | CAM | H8 | 179.9° | 179.7° |
| CAM | CAL | CAK | NAI | 21.2° | 90.0° |
| CAM | CAL | CAK | H6 | 141.6° | 150.0° |
| CAM | CAL | CAK | H7 | 99.2° | 30.0° |
| CAL | CAM | CAN | H9 | 179.6° | 179.9° |
| CAM | CAL | CAQ | H11 | 179.9° | 180.0° |
| CAL | CAK | NAI | H6 | 120.3° | 120.0° |
| CAL | CAK | NAI | H7 | 120.4° | 119.9° |
| CAL | CAK | NAI | CAH | 104.5° | 90.0° |
| CAL | CAK | NAI | CAJ | 76.7° | 90.0° |
| CAL | CAK | H6 | H7 | 118.9° | 120.0° |
| CAK | CAL | CAM | H8 | 0.5° | 0.0° |
| CAK | CAL | CAQ | H11 | 0.5° | 0.3° |
| CAK | NAI | CAH | CAJ | 178.8° | 180.0° |
| CAK | NAI | CAH | CAG | 178.5° | 180.0° |
| CAK | NAI | CAJ | OAV | 0.8° | 0.1° |
| CAK | NAI | CAJ | CAD | 179.4° | 180.0° |
| CAK | NAI | CAH | H5 | 1.4° | 0.0° |
| NAI | CAK | H6 | H7 | 118.9° | 120.0° |
| NAI | CAH | CAG | H5 | 180.0° | 179.9° |
| NAI | CAH | CAG | CAC | 0.7° | 0.0° |
| CAH | NAI | CAJ | OAV | 179.6° | 179.9° |
| CAH | NAI | CAJ | CAD | 0.5° | 0.0° |
| NAI | CAH | CAG | H4 | 179.3° | 180.0° |
| CAH | NAI | CAK | H6 | 135.2° | 30.0° |
| CAH | NAI | CAK | H7 | 15.9° | 150.1° |
| CAG | CAH | NAI | CAJ | 0.2° | 0.0° |
| CAH | CAG | CAC | H4 | 180.0° | 180.0° |
| CAH | CAG | CAC | CAD | 0.5° | 0.0° |
| CAH | CAG | CAC | CAB | 179.3° | 180.0° |
| NAI | CAJ | OAV | CAD | 179.8° | 180.0° |
| NAI | CAJ | CAD | CAC | 0.8° | 0.0° |
| NAI | CAJ | CAD | CAE | 180.0° | 180.0° |
| CAJ | NAI | CAH | H5 | 179.8° | 180.0° |
| CAJ | NAI | CAK | H6 | 43.6° | 150.0° |
| CAJ | NAI | CAK | H7 | 162.9° | 29.9° |
| CAG | CAC | CAD | CAJ | 0.2° | 0.0° |
| CAG | CAC | CAD | CAB | 179.8° | 180.0° |
| CAG | CAC | CAD | CAE | 179.4° | 180.0° |
| CAG | CAC | CAB | CAA | 179.9° | 180.0° |
| CAG | CAC | CAB | H1 | 0.1° | 0.1° |
| CAC | CAG | CAH | H5 | 179.3° | 180.0° |
| OAV | CAJ | CAD | CAC | 179.4° | 180.0° |
| OAV | CAJ | CAD | CAE | 0.2° | 0.1° |
| CAJ | CAD | CAC | CAE | 179.2° | 180.0° |
| CAJ | CAD | CAC | CAB | 180.0° | 179.9° |
| CAJ | CAD | CAE | CAF | 179.9° | 179.9° |
| CAJ | CAD | CAE | H2 | 0.1° | 0.0° |
| CAD | CAC | CAB | CAA | 0.3° | 0.1° |
| CAC | CAD | CAE | CAF | 0.9° | 0.0° |
| CAD | CAC | CAB | H1 | 179.7° | 180.0° |
| CAC | CAD | CAE | H2 | 179.1° | 180.0° |
| CAD | CAC | CAG | H4 | 179.5° | 180.0° |
| CAB | CAC | CAD | CAE | 0.8° | 0.0° |
| CAC | CAB | CAA | H1 | 180.0° | 179.9° |
| CAC | CAB | CAA | CAF | 0.0° | 0.1° |
| CAC | CAB | CAA | CAW | 179.5° | 179.7° |
| CAB | CAC | CAG | H4 | 0.7° | 0.1° |
| CAD | CAE | CAF | H2 | 180.0° | 179.9° |
| CAD | CAE | CAF | CAA | 0.5° | 0.0° |
| CAD | CAE | CAF | H3 | 179.4° | 179.7° |
| CAB | CAA | CAF | CAE | 0.1° | 0.1° |
| CAB | CAA | CAF | CAW | 179.6° | 179.8° |
| CAB | CAA | CAW | CAX | 15.8° | 130.5° |
| CAB | CAA | CAW | CBA | 165.8° | 49.8° |
| CAB | CAA | CAF | H3 | 179.9° | 179.7° |
| CAE | CAF | CAA | H3 | 180.0° | 179.6° |
| CAE | CAF | CAA | CAW | 179.7° | 179.7° |
| CBB | CAX | CAW | CAA | 1.8° | 0.1° |
| CBB | CAX | CAW | NAY | 178.5° | 179.9° |
| CBB | CAX | CAW | CBA | 179.5° | 179.7° |
| CBB | CAX | NAY | OAZ | 179.6° | 179.8° |
| CAX | CBB | H16 | H17 | 120.0° | 120.0° |
| CAX | CBB | H16 | H18 | 120.0° | 120.0° |
| CAX | CBB | H17 | H18 | 120.0° | 120.0° |
| CAF | CAA | CAW | CAX | 163.7° | 49.7° |
| CAF | CAA | CAW | CBA | 14.7° | 130.0° |
| CAF | CAA | CAB | H1 | 180.0° | 180.0° |
| CAA | CAF | CAE | H2 | 179.5° | 180.0° |
| CAA | CAW | CAX | CBA | 178.7° | 179.8° |
| CAA | CAW | CAX | NAY | 179.7° | 180.0° |
| CAA | CAW | CBA | OAZ | 179.4° | 180.0° |
| CAW | CAA | CAB | H1 | 0.5° | 0.2° |
| CAW | CAA | CAF | H3 | 0.3° | 0.1° |
| CAA | CAW | CBA | H15 | 0.7° | 0.1° |
| CAW | CAX | NAY | OAZ | 1.1° | 0.2° |
| CAX | CAW | CBA | OAZ | 0.6° | 0.2° |
| CAX | CAW | CBA | H15 | 179.4° | 179.7° |
| CAW | CAX | CBB | H16 | 178.3° | 90.0° |
| CAW | CAX | CBB | H17 | 58.3° | 150.0° |
| CAW | CAX | CBB | H18 | 61.7° | 30.0° |
| NAY | CAX | CAW | CBA | 1.1° | 0.2° |
| CAX | NAY | OAZ | CBA | 0.7° | 0.0° |
| NAY | CAX | CBB | H16 | 0.0° | 89.9° |
| NAY | CAX | CBB | H17 | 120.0° | 30.1° |
| NAY | CAX | CBB | H18 | 120.0° | 150.1° |
| CAW | CBA | OAZ | NAY | 0.0° | 0.1° |
| CAW | CBA | OAZ | H15 | 180.0° | 179.9° |
| NAY | OAZ | CBA | H15 | 180.0° | 179.8° |
| H2 | CAE | CAF | H3 | 0.6° | 0.4° |
| H4 | CAG | CAH | H5 | 0.7° | 0.1° |
| H8 | CAM | CAN | H9 | 0.4° | 0.1° |
| H9 | CAN | CAO | H10 | 0.7° | 0.2° |
| H12 | CAT | H13 | H14 | 120.0° | 120.0° |
| H12 | CAT | NAS | H19 | 0.0° | 120.0° |
| H13 | CAT | NAS | H19 | 120.0° | 120.0° |
| H14 | CAT | NAS | H19 | 120.0° | 0.0° |
| H16 | CBB | H17 | H18 | 120.0° | 120.0° |
