0SK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CBD | sing | 1.53Å | 1.53Å | |
| CBD | OAT | sing | 1.44Å | 1.44Å | |
| CBD | CAP | sing | 1.55Å | 1.52Å | |
| OAT | CBH | sing | 1.43Å | 1.46Å | |
| FAF | CBG | sing | 1.40Å | 1.35Å | |
| CAL | NBF | sing | 1.47Å | 1.50Å | |
| CAL | CAN | sing | 1.53Å | 1.54Å | |
| OAD | CAZ | doub | 1.22Å | 1.23Å | |
| NAR | CAZ | sing | 1.31Å | 1.40Å | |
| NAR | CAY | doub | 1.33Å | 1.40Å | |
| NBF | CAY | sing | 1.37Å | 1.35Å | |
| NBF | CAM | sing | 1.47Å | 1.50Å | |
| CAZ | CBA | sing | 1.46Å | 1.40Å | |
| CAY | SAV | sing | 1.74Å | 1.78Å | |
| CAP | OAS | sing | 1.45Å | 1.45Å | |
| CAM | CAO | sing | 1.53Å | 1.53Å | |
| OAE | NBE | sing | 1.42Å | 1.51Å | |
| CBH | CAN | sing | 1.53Å | 1.54Å | |
| CBH | CAO | sing | 1.53Å | 1.55Å | |
| CBH | OAS | sing | 1.44Å | 1.46Å | |
| CBA | CAK | doub | 1.40Å | 1.40Å | Aromatic |
| CBA | CBB | sing | 1.41Å | 1.41Å | Aromatic |
| CAK | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| SAV | CBB | sing | 1.77Å | 1.80Å | |
| CBB | CAX | doub | 1.38Å | 1.42Å | Aromatic |
| CAW | CBG | sing | 1.51Å | 1.40Å | |
| CAW | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CBG | FAH | sing | 1.40Å | 1.34Å | |
| CBG | FAG | sing | 1.40Å | 1.34Å | |
| CAX | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAX | NBE | sing | 1.40Å | 1.35Å | |
| NBE | H1 | sing | 0.97Å | 1.00Å | |
| OAE | H2 | sing | 0.97Å | 0.95Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAK | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAO | H7 | sing | 1.09Å | 1.10Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CAL | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAP | H13 | sing | 1.09Å | 1.10Å | |
| CAP | H14 | sing | 1.09Å | 1.10Å | |
| CBD | H15 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CBD | OAT | 109.3° | 110.7° |
| CAA | CBD | CAP | 110.3° | 110.7° |
| CAA | CBD | H15 | 110.6° | 110.8° |
| CBD | CAA | H16 | 109.5° | 109.5° |
| CBD | CAA | H17 | 109.5° | 109.4° |
| CBD | CAA | H18 | 109.5° | 109.5° |
| OAT | CBD | CAP | 103.4° | 103.1° |
| CBD | OAT | CBH | 106.9° | 107.2° |
| OAT | CBD | H15 | 112.2° | 110.7° |
| CBD | CAP | OAS | 104.1° | 101.7° |
| CBD | CAP | H13 | 110.8° | 111.0° |
| CBD | CAP | H14 | 110.8° | 111.0° |
| CAP | CBD | H15 | 110.9° | 110.7° |
| OAT | CBH | CAN | 110.2° | 109.6° |
| OAT | CBH | CAO | 110.4° | 109.5° |
| OAT | CBH | OAS | 107.1° | 108.9° |
| FAF | CBG | CAW | 109.9° | 109.5° |
| FAF | CBG | FAH | 109.2° | 109.5° |
| FAF | CBG | FAG | 109.3° | 109.5° |
| NBF | CAL | CAN | 112.2° | 108.8° |
| CAL | NBF | CAY | 119.6° | 120.6° |
| CAL | NBF | CAM | 120.0° | 118.8° |
| NBF | CAL | H9 | 108.8° | 109.6° |
| NBF | CAL | H10 | 108.8° | 109.6° |
| CAL | CAN | CBH | 110.6° | 109.3° |
| CAN | CAL | H9 | 108.8° | 109.6° |
| CAN | CAL | H10 | 108.8° | 109.6° |
| CAL | CAN | H11 | 109.2° | 109.5° |
| CAL | CAN | H12 | 109.2° | 109.5° |
| OAD | CAZ | NAR | 115.7° | 115.1° |
| OAD | CAZ | CBA | 120.2° | 115.1° |
| CAZ | NAR | CAY | 126.0° | 127.4° |
| NAR | CAZ | CBA | 124.2° | 129.8° |
| NAR | CAY | NBF | 118.6° | 122.5° |
| NAR | CAY | SAV | 120.6° | 115.1° |
| CAY | NBF | CAM | 120.4° | 120.6° |
| NBF | CAY | SAV | 120.8° | 122.5° |
| NBF | CAM | CAO | 113.3° | 108.8° |
| NBF | CAM | H5 | 108.5° | 109.6° |
| NBF | CAM | H6 | 108.5° | 109.6° |
| CAZ | CBA | CAK | 116.5° | 121.9° |
| CAZ | CBA | CBB | 124.3° | 120.1° |
| CAY | SAV | CBB | 104.2° | 112.8° |
| CAP | OAS | CBH | 107.2° | 104.8° |
| OAS | CAP | H13 | 110.8° | 111.0° |
| OAS | CAP | H14 | 110.8° | 111.0° |
| CAM | CAO | CBH | 111.8° | 109.3° |
| CAO | CAM | H5 | 108.5° | 109.6° |
| CAO | CAM | H6 | 108.5° | 109.6° |
| CAM | CAO | H7 | 108.9° | 109.5° |
| CAM | CAO | H8 | 108.9° | 109.5° |
| OAE | NBE | CAX | 119.9° | 120.0° |
| OAE | NBE | H1 | 106.8° | 120.0° |
| NBE | OAE | H2 | 109.5° | 114.0° |
| CAN | CBH | CAO | 110.4° | 109.8° |
| CAN | CBH | OAS | 109.4° | 109.4° |
| CBH | CAN | H11 | 109.2° | 109.6° |
| CBH | CAN | H12 | 109.2° | 109.4° |
| CAO | CBH | OAS | 109.3° | 109.7° |
| CBH | CAO | H7 | 108.9° | 109.5° |
| CBH | CAO | H8 | 108.8° | 109.5° |
| CAK | CBA | CBB | 119.2° | 118.0° |
| CBA | CAK | CAW | 121.6° | 119.9° |
| CBA | CAK | H4 | 119.2° | 120.0° |
| CBA | CBB | SAV | 120.8° | 114.8° |
| CBA | CBB | CAX | 119.2° | 121.9° |
| CAK | CAW | CBG | 119.7° | 119.3° |
| CAK | CAW | CAJ | 119.4° | 121.4° |
| CAW | CAK | H4 | 119.2° | 120.1° |
| SAV | CBB | CAX | 120.1° | 123.3° |
| CBB | CAX | CAJ | 120.2° | 118.8° |
| CBB | CAX | NBE | 119.6° | 120.6° |
| CBG | CAW | CAJ | 120.8° | 119.3° |
| CAW | CBG | FAH | 110.3° | 109.5° |
| CAW | CBG | FAG | 109.3° | 109.5° |
| CAW | CAJ | CAX | 120.4° | 120.0° |
| CAW | CAJ | H3 | 119.8° | 120.0° |
| FAH | CBG | FAG | 108.9° | 109.5° |
| CAJ | CAX | NBE | 120.2° | 120.6° |
| CAX | CAJ | H3 | 119.8° | 120.0° |
| CAX | NBE | H1 | 106.8° | 120.0° |
| H5 | CAM | H6 | 109.5° | 109.7° |
| H7 | CAO | H8 | 109.5° | 109.5° |
| H9 | CAL | H10 | 109.5° | 109.7° |
| H11 | CAN | H12 | 109.5° | 109.5° |
| H13 | CAP | H14 | 109.5° | 110.9° |
| H16 | CAA | H17 | 109.4° | 109.4° |
| H16 | CAA | H18 | 109.5° | 109.5° |
| H17 | CAA | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CBD | OAT | CAP | 117.4° | 118.4° |
| CAA | CBD | OAT | H15 | 123.1° | 123.2° |
| CAA | CBD | CAP | H15 | 122.9° | 123.2° |
| CAA | CBD | OAT | CBH | 148.5° | 139.8° |
| CAA | CBD | CAP | OAS | 150.0° | 153.9° |
| CAA | CBD | CAP | H13 | 90.8° | 35.8° |
| CAA | CBD | CAP | H14 | 30.9° | 88.0° |
| CBD | CAA | H16 | H17 | 120.0° | 120.0° |
| CBD | CAA | H16 | H18 | 120.0° | 120.0° |
| CBD | CAA | H17 | H18 | 120.0° | 120.0° |
| OAT | CBD | CAP | H15 | 120.4° | 118.4° |
| OAT | CBD | CAP | OAS | 33.3° | 35.5° |
| CBD | OAT | CBH | CAN | 136.4° | 118.9° |
| CBD | OAT | CBH | CAO | 101.4° | 120.6° |
| CBD | OAT | CBH | OAS | 17.4° | 0.7° |
| OAT | CBD | CAP | H13 | 152.5° | 82.6° |
| OAT | CBD | CAP | H14 | 85.8° | 153.6° |
| OAT | CBD | CAA | H16 | 180.0° | 58.6° |
| OAT | CBD | CAA | H17 | 60.0° | 178.5° |
| OAT | CBD | CAA | H18 | 60.0° | 61.4° |
| CAP | CBD | OAT | CBH | 31.1° | 21.4° |
| CBD | CAP | OAS | H13 | 119.1° | 118.1° |
| CBD | CAP | OAS | H14 | 119.2° | 118.1° |
| CBD | CAP | OAS | CBH | 23.0° | 36.1° |
| CBD | CAP | H13 | H14 | 122.5° | 123.9° |
| CAP | CBD | CAA | H16 | 67.0° | 55.1° |
| CAP | CBD | CAA | H17 | 173.0° | 64.9° |
| CAP | CBD | CAA | H18 | 53.0° | 175.1° |
| OAT | CBH | CAN | CAL | 62.5° | 178.4° |
| OAT | CBH | OAS | CAP | 4.3° | 24.3° |
| OAT | CBH | CAO | CAM | 65.0° | 178.4° |
| OAT | CBH | CAN | CAO | 122.2° | 120.3° |
| OAT | CBH | CAN | OAS | 117.5° | 119.3° |
| OAT | CBH | CAO | OAS | 117.5° | 119.4° |
| OAT | CBH | CAO | H7 | 174.6° | 58.4° |
| OAT | CBH | CAO | H8 | 55.3° | 61.7° |
| OAT | CBH | CAN | H11 | 57.7° | 61.7° |
| OAT | CBH | CAN | H12 | 177.4° | 58.5° |
| CBH | OAT | CBD | H15 | 88.4° | 97.0° |
| FAF | CBG | CAW | CAK | 51.7° | 60.0° |
| FAF | CBG | CAW | FAH | 120.4° | 120.0° |
| FAF | CBG | CAW | FAG | 119.9° | 120.0° |
| FAF | CBG | CAW | CAJ | 128.7° | 120.0° |
| FAF | CBG | FAH | FAG | 119.3° | 120.0° |
| NBF | CAL | CAN | H9 | 120.4° | 119.8° |
| NBF | CAL | CAN | H10 | 120.4° | 119.8° |
| CAL | NBF | CAY | NAR | 0.5° | 179.7° |
| CAL | NBF | CAY | CAM | 179.1° | 179.8° |
| CAL | NBF | CAY | SAV | 179.7° | 0.9° |
| CAL | NBF | CAM | CAO | 38.5° | 53.5° |
| NBF | CAL | CAN | CBH | 50.4° | 54.5° |
| CAL | NBF | CAM | H5 | 159.1° | 66.3° |
| CAL | NBF | CAM | H6 | 82.1° | 173.3° |
| NBF | CAL | H9 | H10 | 118.8° | 120.4° |
| NBF | CAL | CAN | H11 | 170.6° | 65.5° |
| NBF | CAL | CAN | H12 | 69.7° | 174.4° |
| CAN | CAL | NBF | CAY | 139.6° | 126.2° |
| CAN | CAL | NBF | CAM | 41.3° | 53.5° |
| CAL | CAN | CBH | H11 | 120.2° | 120.0° |
| CAL | CAN | CBH | H12 | 120.2° | 119.9° |
| CAL | CAN | CBH | CAO | 59.7° | 61.3° |
| CAL | CAN | CBH | OAS | 180.0° | 59.0° |
| CAN | CAL | H9 | H10 | 118.8° | 120.3° |
| CAL | CAN | H11 | H12 | 119.5° | 120.1° |
| OAD | CAZ | NAR | CBA | 179.9° | 180.0° |
| OAD | CAZ | NAR | CAY | 179.9° | 178.9° |
| OAD | CAZ | CBA | CAK | 0.1° | 0.0° |
| OAD | CAZ | CBA | CBB | 180.0° | 179.2° |
| CAZ | NAR | CAY | NBF | 179.8° | 180.0° |
| CAZ | NAR | CAY | SAV | 0.1° | 0.6° |
| NAR | CAZ | CBA | CAK | 179.9° | 180.0° |
| NAR | CAZ | CBA | CBB | 0.0° | 0.8° |
| NAR | CAY | NBF | SAV | 179.8° | 179.3° |
| NAR | CAY | NBF | CAM | 179.6° | 0.0° |
| CAY | NAR | CAZ | CBA | 0.0° | 1.0° |
| NAR | CAY | SAV | CBB | 0.1° | 0.2° |
| CAY | NBF | CAM | CAO | 142.4° | 126.3° |
| NBF | CAY | SAV | CBB | 179.7° | 179.5° |
| CAY | NBF | CAM | H5 | 21.8° | 114.0° |
| CAY | NBF | CAM | H6 | 97.1° | 6.4° |
| CAY | NBF | CAL | H9 | 100.0° | 6.4° |
| CAY | NBF | CAL | H10 | 19.2° | 114.0° |
| CAM | NBF | CAY | SAV | 0.5° | 179.3° |
| NBF | CAM | CAO | H5 | 120.6° | 119.8° |
| NBF | CAM | CAO | H6 | 120.6° | 119.8° |
| NBF | CAM | CAO | CBH | 45.0° | 54.4° |
| NBF | CAM | H5 | H6 | 118.2° | 120.4° |
| NBF | CAM | CAO | H7 | 75.4° | 174.4° |
| NBF | CAM | CAO | H8 | 165.4° | 65.6° |
| CAM | NBF | CAL | H9 | 79.1° | 173.3° |
| CAM | NBF | CAL | H10 | 161.6° | 66.2° |
| CAZ | CBA | CAK | CBB | 179.9° | 179.2° |
| CAZ | CBA | CAK | CAW | 179.9° | 180.0° |
| CAZ | CBA | CBB | SAV | 0.2° | 0.3° |
| CAZ | CBA | CBB | CAX | 179.6° | 179.8° |
| CAZ | CBA | CAK | H4 | 0.1° | 0.5° |
| CAY | SAV | CBB | CBA | 0.2° | 0.0° |
| CAY | SAV | CBB | CAX | 179.6° | 180.0° |
| CAP | OAS | CBH | CAN | 115.1° | 95.5° |
| CAP | OAS | CBH | CAO | 123.9° | 144.1° |
| OAS | CAP | H13 | H14 | 122.5° | 123.8° |
| OAS | CAP | CBD | H15 | 87.1° | 82.9° |
| CAM | CAO | CBH | CAN | 57.0° | 61.2° |
| CAM | CAO | CBH | H7 | 120.4° | 119.9° |
| CAM | CAO | CBH | H8 | 120.4° | 119.9° |
| CAM | CAO | CBH | OAS | 177.4° | 58.9° |
| CAO | CAM | H5 | H6 | 118.3° | 120.4° |
| CAM | CAO | H7 | H8 | 118.9° | 120.0° |
| OAE | NBE | CAX | CBB | 37.6° | 180.0° |
| OAE | NBE | CAX | CAJ | 141.3° | 0.3° |
| OAE | NBE | CAX | H1 | 121.4° | 179.7° |
| CAN | CBH | CAO | OAS | 120.4° | 120.2° |
| CAN | CBH | CAO | H7 | 63.4° | 178.8° |
| CAN | CBH | CAO | H8 | 177.4° | 58.7° |
| CBH | CAN | CAL | H9 | 69.9° | 174.4° |
| CBH | CAN | CAL | H10 | 170.8° | 65.3° |
| CBH | CAN | H11 | H12 | 119.5° | 120.1° |
| CBH | CAO | CAM | H5 | 165.6° | 65.4° |
| CBH | CAO | CAM | H6 | 75.5° | 174.2° |
| CBH | CAO | H7 | H8 | 118.9° | 120.1° |
| CAO | CBH | CAN | H11 | 179.9° | 58.7° |
| CAO | CBH | CAN | H12 | 60.4° | 178.8° |
| OAS | CBH | CAO | H7 | 57.1° | 61.0° |
| OAS | CBH | CAO | H8 | 62.2° | 178.8° |
| OAS | CBH | CAN | H11 | 59.8° | 179.0° |
| OAS | CBH | CAN | H12 | 59.9° | 60.9° |
| CBH | OAS | CAP | H13 | 142.1° | 82.1° |
| CBH | OAS | CAP | H14 | 96.2° | 154.2° |
| CBA | CAK | CAW | H4 | 180.0° | 179.4° |
| CAK | CBA | CBB | SAV | 179.9° | 179.5° |
| CAK | CBA | CBB | CAX | 0.3° | 0.5° |
| CBA | CAK | CAW | CBG | 179.7° | 179.5° |
| CBA | CAK | CAW | CAJ | 0.2° | 0.6° |
| CBB | CBA | CAK | CAW | 0.1° | 0.8° |
| CBA | CBB | SAV | CAX | 179.8° | 180.0° |
| CBA | CBB | CAX | CAJ | 0.7° | 0.0° |
| CBA | CBB | CAX | NBE | 179.6° | 179.7° |
| CBB | CBA | CAK | H4 | 179.8° | 179.8° |
| CAK | CAW | CBG | CAJ | 179.6° | 180.0° |
| CAK | CAW | CBG | FAH | 172.1° | 180.0° |
| CAK | CAW | CBG | FAG | 68.2° | 60.0° |
| CAK | CAW | CAJ | CAX | 0.3° | 0.0° |
| CAK | CAW | CAJ | H3 | 179.7° | 180.0° |
| SAV | CBB | CAX | CAJ | 179.5° | 180.0° |
| SAV | CBB | CAX | NBE | 0.6° | 0.3° |
| CBB | CAX | CAJ | CAW | 0.7° | 0.3° |
| CBB | CAX | CAJ | NBE | 178.9° | 179.7° |
| CBB | CAX | NBE | H1 | 159.1° | 0.3° |
| CBB | CAX | CAJ | H3 | 179.3° | 179.7° |
| CAW | CBG | FAH | FAG | 119.9° | 120.0° |
| CBG | CAW | CAJ | CAX | 179.3° | 180.0° |
| CBG | CAW | CAJ | H3 | 0.7° | 0.0° |
| CBG | CAW | CAK | H4 | 0.2° | 0.0° |
| CAJ | CAW | CBG | FAH | 8.4° | 0.0° |
| CAJ | CAW | CBG | FAG | 111.3° | 120.0° |
| CAW | CAJ | CAX | H3 | 180.0° | 180.0° |
| CAW | CAJ | CAX | NBE | 179.6° | 179.9° |
| CAJ | CAW | CAK | H4 | 179.8° | 180.0° |
| CAJ | CAX | NBE | H1 | 19.8° | 180.0° |
| CAX | NBE | OAE | H2 | 180.0° | 179.7° |
| NBE | CAX | CAJ | H3 | 0.4° | 0.1° |
| H1 | NBE | OAE | H2 | 58.5° | 0.0° |
| H5 | CAM | CAO | H7 | 45.2° | 54.6° |
| H5 | CAM | CAO | H8 | 74.1° | 174.6° |
| H6 | CAM | CAO | H7 | 164.1° | 65.8° |
| H6 | CAM | CAO | H8 | 44.8° | 54.3° |
| H9 | CAL | CAN | H11 | 50.3° | 54.3° |
| H9 | CAL | CAN | H12 | 169.9° | 65.8° |
| H10 | CAL | CAN | H11 | 69.0° | 174.7° |
| H10 | CAL | CAN | H12 | 50.7° | 54.6° |
| H13 | CAP | CBD | H15 | 32.1° | 159.0° |
| H14 | CAP | CBD | H15 | 153.8° | 35.2° |
| H15 | CBD | CAA | H16 | 56.0° | 178.3° |
| H15 | CBD | CAA | H17 | 64.0° | 58.3° |
| H15 | CBD | CAA | H18 | 176.0° | 61.7° |
| H16 | CAA | H17 | H18 | 120.0° | 120.0° |
