YCL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | CAP | sing | 1.80Å | 1.79Å | |
| C1 | O1 | sing | 1.35Å | 1.25Å | |
| C1 | O2 | doub | 1.22Å | 1.25Å | |
| C1 | CAK | sing | 1.48Å | 1.51Å | |
| NAA | CAU | sing | 1.35Å | 1.33Å | |
| NAC | CAV | doub | 1.29Å | 1.33Å | |
| OAE | CAU | doub | 1.21Å | 1.23Å | |
| OAF | CAW | doub | 1.22Å | 1.23Å | |
| CAH | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAX | doub | 1.41Å | 1.40Å | Aromatic |
| CAL | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAM | CAO | sing | 1.53Å | 1.53Å | |
| CAN | NAR | sing | 1.46Å | 1.46Å | |
| CAO | CAZ | sing | 1.53Å | 1.54Å | |
| CAP | CAV | sing | 1.51Å | 1.50Å | |
| NAR | CAV | sing | 1.37Å | 1.34Å | |
| NAS | CAW | sing | 1.35Å | 1.34Å | |
| NAS | CAZ | sing | 1.46Å | 1.47Å | |
| CAU | CAZ | sing | 1.51Å | 1.52Å | |
| CAW | CAX | sing | 1.48Å | 1.51Å | |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| NAC | HNAC | sing | 0.97Å | 1.00Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å | |
| CAZ | HAZ | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| NAR | HAR | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | CAP | CAV | 103.5° | 109.5° |
| CL | CAP | HAP | 111.5° | 109.5° |
| CL | CAP | HAPA | 111.5° | 109.5° |
| O1 | C1 | O2 | 121.6° | 119.9° |
| O1 | C1 | CAK | 118.2° | 120.0° |
| C1 | O1 | HO1 | 109.5° | 117.0° |
| O2 | C1 | CAK | 120.2° | 120.0° |
| C1 | CAK | CAI | 118.4° | 120.2° |
| C1 | CAK | CAX | 122.0° | 120.2° |
| NAA | CAU | OAE | 121.3° | 120.0° |
| NAA | CAU | CAZ | 116.0° | 120.0° |
| CAU | NAA | HNAA | 120.0° | 120.0° |
| CAU | NAA | HNAB | 120.0° | 120.0° |
| NAC | CAV | CAP | 117.2° | 120.0° |
| NAC | CAV | NAR | 125.2° | 120.0° |
| CAV | NAC | HNAC | 112.0° | 120.0° |
| OAE | CAU | CAZ | 122.7° | 120.0° |
| OAF | CAW | NAS | 122.1° | 119.9° |
| OAF | CAW | CAX | 117.7° | 120.1° |
| CAI | CAH | CAJ | 119.9° | 120.4° |
| CAH | CAI | CAK | 120.8° | 120.0° |
| CAI | CAH | HAH | 120.1° | 119.7° |
| CAH | CAI | HAI | 119.6° | 120.1° |
| CAH | CAJ | CAL | 119.5° | 120.4° |
| CAJ | CAH | HAH | 120.0° | 119.8° |
| CAH | CAJ | HAJ | 120.3° | 119.8° |
| CAI | CAK | CAX | 119.6° | 119.6° |
| CAK | CAI | HAI | 119.6° | 120.0° |
| CAJ | CAL | CAX | 121.2° | 120.0° |
| CAL | CAJ | HAJ | 120.3° | 119.8° |
| CAJ | CAL | HAL | 119.4° | 120.0° |
| CAK | CAX | CAL | 119.1° | 119.6° |
| CAK | CAX | CAW | 122.7° | 120.2° |
| CAL | CAX | CAW | 118.2° | 120.2° |
| CAX | CAL | HAL | 119.4° | 120.0° |
| CAN | CAM | CAO | 113.6° | 109.5° |
| CAM | CAN | NAR | 106.8° | 109.5° |
| CAN | CAM | HAM | 108.1° | 109.5° |
| CAN | CAM | HAMA | 108.1° | 109.5° |
| CAM | CAN | HAN | 110.4° | 109.5° |
| CAM | CAN | HANA | 110.4° | 109.5° |
| CAM | CAO | CAZ | 119.4° | 109.5° |
| CAO | CAM | HAM | 108.1° | 109.4° |
| CAO | CAM | HAMA | 108.1° | 109.5° |
| CAM | CAO | HAO | 106.3° | 109.4° |
| CAM | CAO | HAOA | 106.3° | 109.5° |
| CAN | NAR | CAV | 131.2° | 120.0° |
| NAR | CAN | HAN | 110.4° | 109.4° |
| NAR | CAN | HANA | 110.4° | 109.5° |
| CAN | NAR | HAR | 114.4° | 120.0° |
| CAO | CAZ | NAS | 104.1° | 109.5° |
| CAO | CAZ | CAU | 113.2° | 109.5° |
| CAZ | CAO | HAO | 106.3° | 109.5° |
| CAZ | CAO | HAOA | 106.3° | 109.5° |
| CAO | CAZ | HAZ | 112.6° | 109.4° |
| CAP | CAV | NAR | 117.6° | 120.0° |
| CAV | CAP | HAP | 111.5° | 109.5° |
| CAV | CAP | HAPA | 111.5° | 109.5° |
| CAV | NAR | HAR | 114.4° | 120.0° |
| CAW | NAS | CAZ | 124.6° | 120.0° |
| NAS | CAW | CAX | 120.2° | 120.0° |
| CAW | NAS | HNAS | 117.7° | 120.0° |
| NAS | CAZ | CAU | 114.7° | 109.5° |
| CAZ | NAS | HNAS | 117.7° | 120.0° |
| NAS | CAZ | HAZ | 111.1° | 109.4° |
| CAU | CAZ | HAZ | 101.5° | 109.5° |
| HNAA | NAA | HNAB | 120.0° | 120.0° |
| HAM | CAM | HAMA | 110.8° | 109.5° |
| HAN | CAN | HANA | 108.6° | 109.4° |
| HAO | CAO | HAOA | 112.5° | 109.5° |
| HAP | CAP | HAPA | 107.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | CAP | CAV | NAC | 107.7° | 0.0° |
| CL | CAP | CAV | HAP | 120.0° | 120.0° |
| CL | CAP | CAV | HAPA | 120.0° | 120.0° |
| CL | CAP | CAV | NAR | 71.1° | 180.0° |
| CL | CAP | HAP | HAPA | 122.4° | 120.0° |
| O1 | C1 | O2 | CAK | 179.8° | 179.7° |
| O1 | C1 | CAK | CAI | 94.9° | 55.3° |
| O1 | C1 | CAK | CAX | 84.3° | 124.7° |
| O2 | C1 | CAK | CAI | 85.3° | 124.9° |
| O2 | C1 | CAK | CAX | 95.5° | 55.1° |
| O2 | C1 | O1 | HO1 | 0.0° | 0.0° |
| C1 | CAK | CAI | CAH | 179.2° | 180.0° |
| C1 | CAK | CAI | CAX | 179.2° | 180.0° |
| C1 | CAK | CAX | CAL | 178.7° | 180.0° |
| C1 | CAK | CAX | CAW | 0.9° | 0.0° |
| C1 | CAK | CAI | HAI | 0.7° | 0.0° |
| CAK | C1 | O1 | HO1 | 179.8° | 179.7° |
| NAA | CAU | OAE | CAZ | 179.7° | 179.9° |
| NAA | CAU | CAZ | CAO | 92.5° | 59.9° |
| NAA | CAU | CAZ | NAS | 26.8° | 180.0° |
| CAU | NAA | HNAA | HNAB | 180.0° | 179.9° |
| NAA | CAU | CAZ | HAZ | 146.6° | 60.1° |
| NAC | CAV | NAR | CAN | 1.9° | 0.0° |
| NAC | CAV | CAP | NAR | 178.8° | 180.0° |
| NAC | CAV | CAP | HAP | 12.3° | 120.0° |
| NAC | CAV | CAP | HAPA | 132.4° | 120.0° |
| NAC | CAV | NAR | HAR | 178.2° | 180.0° |
| OAE | CAU | CAZ | CAO | 87.2° | 120.0° |
| OAE | CAU | CAZ | NAS | 153.5° | 0.1° |
| OAE | CAU | NAA | HNAA | 0.0° | 0.1° |
| OAE | CAU | NAA | HNAB | 180.0° | 180.0° |
| OAE | CAU | CAZ | HAZ | 33.7° | 120.0° |
| OAF | CAW | CAX | CAK | 57.4° | 6.2° |
| OAF | CAW | CAX | CAL | 120.4° | 173.8° |
| OAF | CAW | NAS | CAX | 178.0° | 180.0° |
| OAF | CAW | NAS | CAZ | 1.1° | 0.1° |
| OAF | CAW | NAS | HNAS | 178.9° | 180.0° |
| CAI | CAH | CAJ | HAH | 180.0° | 179.7° |
| CAH | CAI | CAK | HAI | 180.0° | 180.0° |
| CAI | CAH | CAJ | CAL | 0.4° | 0.0° |
| CAH | CAI | CAK | CAX | 0.0° | 0.0° |
| CAI | CAH | CAJ | HAJ | 179.6° | 180.0° |
| CAJ | CAH | CAI | CAK | 0.5° | 0.0° |
| CAH | CAJ | CAL | HAJ | 180.0° | 180.0° |
| CAH | CAJ | CAL | CAX | 0.1° | 0.0° |
| CAJ | CAH | CAI | HAI | 179.5° | 180.0° |
| CAH | CAJ | CAL | HAL | 180.0° | 180.0° |
| CAI | CAK | CAX | CAL | 0.5° | 0.0° |
| CAI | CAK | CAX | CAW | 178.2° | 180.0° |
| CAK | CAI | CAH | HAH | 179.5° | 179.7° |
| CAJ | CAL | CAX | CAK | 0.5° | 0.0° |
| CAJ | CAL | CAX | HAL | 180.0° | 180.0° |
| CAJ | CAL | CAX | CAW | 178.4° | 180.0° |
| CAL | CAJ | CAH | HAH | 179.6° | 179.7° |
| CAK | CAX | CAL | CAW | 177.9° | 180.0° |
| CAK | CAX | CAW | NAS | 124.5° | 173.8° |
| CAX | CAK | CAI | HAI | 179.9° | 180.0° |
| CAK | CAX | CAL | HAL | 179.5° | 180.0° |
| CAL | CAX | CAW | NAS | 57.7° | 6.1° |
| CAX | CAL | CAJ | HAJ | 179.9° | 180.0° |
| CAN | CAM | CAO | HAM | 120.0° | 120.0° |
| CAN | CAM | CAO | HAMA | 120.0° | 120.0° |
| CAM | CAN | NAR | HAN | 120.0° | 120.1° |
| CAM | CAN | NAR | HANA | 120.0° | 120.0° |
| CAN | CAM | CAO | CAZ | 112.1° | 180.0° |
| CAM | CAN | NAR | CAV | 152.7° | 180.0° |
| CAN | CAM | HAM | HAMA | 118.3° | 120.0° |
| CAM | CAN | HAN | HANA | 121.1° | 120.0° |
| CAN | CAM | CAO | HAO | 127.9° | 60.0° |
| CAN | CAM | CAO | HAOA | 7.9° | 60.0° |
| CAM | CAN | NAR | HAR | 27.3° | 0.1° |
| CAO | CAM | CAN | NAR | 134.9° | 180.0° |
| CAM | CAO | CAZ | HAO | 120.0° | 120.0° |
| CAM | CAO | CAZ | HAOA | 120.0° | 120.0° |
| CAM | CAO | CAZ | NAS | 134.9° | 65.0° |
| CAM | CAO | CAZ | CAU | 9.7° | 175.0° |
| CAO | CAM | HAM | HAMA | 118.3° | 120.0° |
| CAO | CAM | CAN | HAN | 105.1° | 60.0° |
| CAO | CAM | CAN | HANA | 14.9° | 60.0° |
| CAM | CAO | HAO | HAOA | 115.9° | 120.0° |
| CAM | CAO | CAZ | HAZ | 104.8° | 55.0° |
| CAN | NAR | CAV | CAP | 179.5° | 180.0° |
| CAN | NAR | CAV | HAR | 180.0° | 179.9° |
| NAR | CAN | CAM | HAM | 105.1° | 60.0° |
| NAR | CAN | CAM | HAMA | 15.0° | 60.0° |
| NAR | CAN | HAN | HANA | 121.1° | 119.9° |
| CAO | CAZ | NAS | CAW | 159.3° | 155.0° |
| CAO | CAZ | NAS | CAU | 124.3° | 120.1° |
| CAO | CAZ | NAS | HAZ | 121.4° | 119.9° |
| CAO | CAZ | CAU | HAZ | 120.9° | 120.0° |
| CAZ | CAO | CAM | HAM | 7.9° | 60.0° |
| CAZ | CAO | CAM | HAMA | 127.9° | 60.0° |
| CAZ | CAO | HAO | HAOA | 115.9° | 120.0° |
| CAO | CAZ | NAS | HNAS | 20.7° | 25.0° |
| CAP | CAV | NAC | HNAC | 178.7° | 180.0° |
| CAV | CAP | HAP | HAPA | 122.4° | 120.0° |
| CAP | CAV | NAR | HAR | 0.5° | 0.1° |
| NAR | CAV | NAC | HNAC | 0.0° | 0.0° |
| CAV | NAR | CAN | HAN | 32.7° | 60.0° |
| CAV | NAR | CAN | HANA | 87.3° | 59.9° |
| NAR | CAV | CAP | HAP | 168.9° | 60.0° |
| NAR | CAV | CAP | HAPA | 48.9° | 60.0° |
| CAW | NAS | CAZ | HNAS | 180.0° | 179.9° |
| CAW | NAS | CAZ | CAU | 76.5° | 84.9° |
| CAW | NAS | CAZ | HAZ | 37.9° | 35.1° |
| NAS | CAZ | CAU | HAZ | 119.8° | 120.0° |
| CAZ | NAS | CAW | CAX | 179.0° | 180.0° |
| NAS | CAZ | CAO | HAO | 14.9° | 175.1° |
| NAS | CAZ | CAO | HAOA | 105.1° | 55.0° |
| CAZ | CAU | NAA | HNAA | 179.7° | 180.0° |
| CAZ | CAU | NAA | HNAB | 0.3° | 0.1° |
| CAU | CAZ | CAO | HAO | 110.3° | 55.0° |
| CAU | CAZ | CAO | HAOA | 129.7° | 65.0° |
| CAU | CAZ | NAS | HNAS | 103.5° | 95.0° |
| CAW | CAX | CAL | HAL | 1.6° | 0.0° |
| CAX | CAW | NAS | HNAS | 1.0° | 0.1° |
| HAH | CAH | CAI | HAI | 0.5° | 0.3° |
| HAH | CAH | CAJ | HAJ | 0.4° | 0.3° |
| HAJ | CAJ | CAL | HAL | 0.0° | 0.0° |
| HAM | CAM | CAN | HAN | 14.9° | 60.0° |
| HAM | CAM | CAN | HANA | 134.9° | 180.0° |
| HAM | CAM | CAO | HAO | 112.1° | NaN° |
| HAM | CAM | CAO | HAOA | 128.0° | 60.0° |
| HAMA | CAM | CAN | HAN | 134.9° | 180.0° |
| HAMA | CAM | CAN | HANA | 105.0° | 60.0° |
| HAMA | CAM | CAO | HAO | 7.9° | 60.0° |
| HAMA | CAM | CAO | HAOA | 112.1° | 180.0° |
| HAN | CAN | NAR | HAR | 147.2° | 120.1° |
| HANA | CAN | NAR | HAR | 92.7° | 120.0° |
| HAO | CAO | CAZ | HAZ | 135.3° | 65.0° |
| HAOA | CAO | CAZ | HAZ | 15.2° | 175.0° |
| HNAS | NAS | CAZ | HAZ | 142.1° | 145.0° |
