TNN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAB | CBF | sing | 1.53Å | 1.51Å | |
CBF | OAG | sing | 1.43Å | 1.42Å | |
CBF | CBJ | sing | 1.55Å | 1.51Å | |
CBJ | OAT | sing | 1.42Å | 1.29Å | |
CBJ | CBI | sing | 1.52Å | 1.46Å | |
CBJ | CBH | sing | 1.51Å | 1.55Å | |
OAT | CBI | sing | 1.43Å | 1.36Å | |
CBI | CAY | sing | 1.51Å | 1.45Å | |
CBI | CBG | sing | 1.52Å | 1.53Å | |
CAY | CAQ | doub | 1.37Å | 1.38Å | Aromatic |
CAY | CAX | sing | 1.40Å | 1.39Å | Aromatic |
CAQ | CAU | sing | 1.40Å | 1.36Å | Aromatic |
CAU | OAE | sing | 1.36Å | 1.31Å | |
CAU | CBC | doub | 1.40Å | 1.38Å | Aromatic |
CBC | CAZ | sing | 1.47Å | 1.39Å | |
CBC | CBE | sing | 1.41Å | 1.39Å | Aromatic |
CAZ | OAC | doub | 1.22Å | 1.20Å | |
CAZ | CBB | sing | 1.47Å | 1.39Å | |
CBB | CAP | doub | 1.39Å | 1.40Å | Aromatic |
CBB | CBD | sing | 1.41Å | 1.37Å | Aromatic |
CAP | CAO | sing | 1.38Å | 1.39Å | Aromatic |
CAO | CAW | doub | 1.39Å | 1.39Å | Aromatic |
CAW | OAS | sing | 1.36Å | 1.33Å | |
CAW | CAV | sing | 1.40Å | 1.37Å | Aromatic |
OAS | CAA | sing | 1.43Å | 1.39Å | |
CAV | OAF | sing | 1.36Å | 1.33Å | |
CAV | CBD | doub | 1.39Å | 1.39Å | Aromatic |
CBD | CBA | sing | 1.47Å | 1.38Å | |
CBA | OAD | doub | 1.22Å | 1.21Å | |
CBA | CBE | sing | 1.47Å | 1.39Å | |
CBE | CAX | doub | 1.40Å | 1.40Å | Aromatic |
CAX | NAR | sing | 1.36Å | 1.35Å | |
NAR | CBH | sing | 1.43Å | 1.48Å | |
CBH | CAL | sing | 1.51Å | 1.52Å | |
CAJ | CAN | sing | 1.44Å | 1.52Å | |
CAN | CAM | doub | 1.34Å | 1.40Å | |
CAM | CAI | sing | 1.44Å | 1.60Å | |
CAK | CBG | sing | 1.49Å | 1.68Å | |
CBG | OAH | sing | 1.43Å | 1.31Å | |
CAL | CAJ | trip | 1.21Å | 0.58Å | |
CAB | HAF | sing | 1.09Å | 1.10Å | |
CAB | HAD | sing | 1.09Å | 1.10Å | |
CAB | HAE | sing | 1.09Å | 1.10Å | |
CBF | HBF | sing | 1.09Å | 1.10Å | |
OAG | HAG | sing | 0.97Å | 0.95Å | |
CAQ | HAQ | sing | 1.08Å | 1.08Å | |
OAE | HBI | sing | 0.97Å | 0.95Å | |
CAP | HAP | sing | 1.08Å | 1.08Å | |
CAO | HAO | sing | 1.08Å | 1.08Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAB | sing | 1.09Å | 1.10Å | |
CAA | HAC | sing | 1.09Å | 1.10Å | |
OAF | HBJ | sing | 0.97Å | 0.95Å | |
NAR | HAR | sing | 1.01Å | 1.00Å | |
CBH | HBH | sing | 1.09Å | 1.10Å | |
CAN | HAN | sing | 1.09Å | 1.08Å | |
CAM | HAM | sing | 1.09Å | 1.08Å | |
CBG | HBG | sing | 1.09Å | 1.10Å | |
OAH | HAH | sing | 0.97Å | 0.95Å | |
CAI | CAK | trip | 1.20Å | 0.66Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAB | CBF | OAG | 108.5° | 109.4° |
CAB | CBF | CBJ | 114.2° | 109.5° |
CBF | CAB | HAF | 109.5° | 109.5° |
CBF | CAB | HAD | 109.5° | 109.4° |
CBF | CAB | HAE | 109.5° | 109.5° |
CAB | CBF | HBF | 107.3° | 109.5° |
OAG | CBF | CBJ | 111.0° | 109.5° |
OAG | CBF | HBF | 108.3° | 109.5° |
CBF | OAG | HAG | 109.5° | 114.0° |
CBF | CBJ | OAT | 115.3° | 111.4° |
CBF | CBJ | CBI | 132.9° | 119.7° |
CBF | CBJ | CBH | 108.3° | 113.6° |
CBJ | CBF | HBF | 107.3° | 109.5° |
OAT | CBJ | CBI | 59.0° | 58.2° |
OAT | CBJ | CBH | 122.3° | 124.7° |
CBJ | OAT | CBI | 66.5° | 64.2° |
CBI | CBJ | CBH | 112.3° | 118.7° |
CBJ | CBI | OAT | 54.5° | 57.7° |
CBJ | CBI | CAY | 122.5° | 116.6° |
CBJ | CBI | CBG | 104.6° | 118.2° |
CBJ | CBH | NAR | 109.0° | 113.1° |
CBJ | CBH | CAL | 109.3° | 105.8° |
CBJ | CBH | HBH | 109.0° | 111.8° |
OAT | CBI | CAY | 120.1° | 109.9° |
OAT | CBI | CBG | 125.1° | 123.4° |
CAY | CBI | CBG | 113.6° | 117.6° |
CBI | CAY | CAQ | 122.4° | 121.0° |
CBI | CAY | CAX | 119.3° | 117.9° |
CBI | CBG | CAK | 111.8° | 107.9° |
CBI | CBG | OAH | 111.6° | 109.8° |
CBI | CBG | HBG | 104.9° | 109.8° |
CAQ | CAY | CAX | 118.3° | 121.1° |
CAY | CAQ | CAU | 120.7° | 120.5° |
CAY | CAQ | HAQ | 119.7° | 119.7° |
CAY | CAX | CBE | 121.1° | 118.9° |
CAY | CAX | NAR | 117.4° | 120.3° |
CAQ | CAU | OAE | 119.3° | 120.2° |
CAQ | CAU | CBC | 121.9° | 119.5° |
CAU | CAQ | HAQ | 119.6° | 119.7° |
OAE | CAU | CBC | 118.8° | 120.3° |
CAU | OAE | HBI | 109.5° | 114.0° |
CAU | CBC | CAZ | 120.3° | 120.3° |
CAU | CBC | CBE | 119.0° | 119.8° |
CAZ | CBC | CBE | 120.7° | 120.0° |
CBC | CAZ | OAC | 120.7° | 120.1° |
CBC | CAZ | CBB | 119.5° | 119.8° |
CBC | CBE | CBA | 119.0° | 120.0° |
CBC | CBE | CAX | 119.0° | 119.9° |
OAC | CAZ | CBB | 119.8° | 120.1° |
CAZ | CBB | CAP | 120.8° | 120.2° |
CAZ | CBB | CBD | 120.1° | 120.0° |
CAP | CBB | CBD | 119.1° | 119.8° |
CBB | CAP | CAO | 121.8° | 120.2° |
CBB | CAP | HAP | 119.1° | 119.9° |
CBB | CBD | CAV | 118.1° | 119.6° |
CBB | CBD | CBA | 120.5° | 120.0° |
CAP | CAO | CAW | 119.1° | 120.4° |
CAO | CAP | HAP | 119.1° | 119.9° |
CAP | CAO | HAO | 120.4° | 119.8° |
CAO | CAW | OAS | 126.9° | 119.8° |
CAO | CAW | CAV | 118.3° | 120.3° |
CAW | CAO | HAO | 120.5° | 119.8° |
OAS | CAW | CAV | 114.8° | 119.9° |
CAW | OAS | CAA | 118.9° | 117.0° |
CAW | CAV | OAF | 117.1° | 120.2° |
CAW | CAV | CBD | 123.5° | 119.7° |
OAS | CAA | HAA | 109.5° | 109.5° |
OAS | CAA | HAB | 109.4° | 109.5° |
OAS | CAA | HAC | 109.5° | 109.5° |
OAF | CAV | CBD | 119.4° | 120.2° |
CAV | OAF | HBJ | 109.5° | 114.0° |
CAV | CBD | CBA | 121.3° | 120.4° |
CBD | CBA | OAD | 119.3° | 120.0° |
CBD | CBA | CBE | 120.1° | 119.9° |
OAD | CBA | CBE | 120.6° | 120.1° |
CBA | CBE | CAX | 122.0° | 120.1° |
CBE | CAX | NAR | 121.5° | 120.8° |
CAX | NAR | CBH | 120.8° | 123.3° |
CAX | NAR | HAR | 106.6° | 111.0° |
NAR | CBH | CAL | 110.0° | 106.0° |
CBH | NAR | HAR | 106.6° | 110.9° |
NAR | CBH | HBH | 110.0° | 112.3° |
CBH | CAL | CAJ | 173.5° | 146.2° |
CAL | CBH | HBH | 109.4° | 107.3° |
CAJ | CAN | CAM | 119.7° | 122.1° |
CAN | CAJ | CAL | 169.3° | 155.4° |
CAJ | CAN | HAN | 120.2° | 118.7° |
CAN | CAM | CAI | 115.0° | 122.2° |
CAM | CAN | HAN | 120.2° | 119.3° |
CAN | CAM | HAM | 122.5° | 119.6° |
CAI | CAM | HAM | 122.5° | 118.3° |
CAM | CAI | CAK | 164.9° | 158.1° |
CAK | CBG | OAH | 116.4° | 109.8° |
CAK | CBG | HBG | 103.6° | 109.7° |
CBG | CAK | CAI | 171.0° | 153.8° |
OAH | CBG | HBG | 107.6° | 109.8° |
CBG | OAH | HAH | 109.5° | 114.0° |
HAF | CAB | HAD | 109.5° | 109.5° |
HAF | CAB | HAE | 109.4° | 109.5° |
HAD | CAB | HAE | 109.5° | 109.4° |
HAA | CAA | HAB | 109.4° | 109.4° |
HAA | CAA | HAC | 109.4° | 109.5° |
HAB | CAA | HAC | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAB | CBF | OAG | CBJ | 126.3° | 120.0° |
CAB | CBF | OAG | HBF | 116.1° | 120.0° |
CAB | CBF | CBJ | HBF | 118.7° | 120.0° |
CAB | CBF | CBJ | OAT | 94.1° | 41.3° |
CAB | CBF | CBJ | CBI | 164.3° | 23.3° |
CAB | CBF | CBJ | CBH | 47.0° | 171.7° |
CBF | CAB | HAF | HAD | 120.0° | 120.0° |
CBF | CAB | HAF | HAE | 120.0° | 120.0° |
CBF | CAB | HAD | HAE | 120.0° | 119.9° |
CAB | CBF | OAG | HAG | 180.0° | 64.1° |
OAG | CBF | CBJ | HBF | 118.2° | 120.0° |
OAG | CBF | CBJ | OAT | 142.8° | 78.7° |
OAG | CBF | CBJ | CBI | 72.6° | 143.3° |
OAG | CBF | CBJ | CBH | 76.1° | 68.3° |
OAG | CBF | CAB | HAF | 180.0° | 37.5° |
OAG | CBF | CAB | HAD | 60.0° | 157.5° |
OAG | CBF | CAB | HAE | 60.0° | 82.6° |
CBF | CBJ | OAT | CBI | 126.5° | 112.5° |
CBF | CBJ | OAT | CBH | 135.2° | 142.6° |
CBF | CBJ | CBI | CBH | 147.8° | 146.8° |
CBF | CBJ | CBI | CAY | 157.0° | 164.2° |
CBF | CBJ | CBI | CBG | 26.0° | 15.5° |
CBF | CBJ | CBH | NAR | 167.7° | 145.2° |
CBF | CBJ | CBH | CAL | 72.0° | 29.7° |
CBJ | CBF | CAB | HAF | 55.6° | 157.5° |
CBJ | CBF | CAB | HAD | 64.4° | 82.5° |
CBJ | CBF | CAB | HAE | 175.6° | 37.4° |
CBJ | CBF | OAG | HAG | 53.7° | 55.9° |
CBF | CBJ | CBH | HBH | 47.6° | 86.7° |
OAT | CBJ | CBI | CBH | 115.3° | 115.1° |
OAT | CBJ | CBI | CAY | 106.0° | 97.7° |
OAT | CBJ | CBI | CBG | 122.9° | 113.5° |
OAT | CBJ | CBH | NAR | 29.9° | 72.9° |
OAT | CBJ | CBH | CAL | 150.1° | 171.6° |
OAT | CBJ | CBF | HBF | 24.5° | 161.3° |
OAT | CBJ | CBH | HBH | 90.3° | 55.1° |
CBJ | CBI | CAY | CBG | 127.2° | 148.9° |
CBJ | CBI | CAY | CAQ | 166.9° | 164.8° |
CBJ | CBI | CAY | CAX | 11.1° | 14.8° |
CBI | CBJ | CBH | NAR | 36.6° | 3.5° |
CBI | CBJ | CBH | CAL | 83.7° | 119.1° |
CBJ | CBI | CBG | CAK | 74.0° | 55.5° |
CBJ | CBI | CBG | OAH | 153.8° | 175.1° |
CBI | CBJ | CBF | HBF | 45.6° | 96.7° |
CBI | CBJ | CBH | HBH | 156.7° | 124.5° |
CBJ | CBI | CBG | HBG | 37.6° | 64.1° |
CBH | CBJ | CBI | CAY | 9.3° | 17.4° |
CBH | CBJ | CBI | CBG | 121.8° | 131.3° |
CBJ | CBH | NAR | CAX | 52.2° | 31.0° |
CBJ | CBH | NAR | CAL | 119.8° | 115.4° |
CBJ | CBH | NAR | HBH | 119.6° | 127.7° |
CBJ | CBH | CAL | HBH | 119.3° | 119.5° |
CBJ | CBH | CAL | CAJ | 36.5° | 47.5° |
CBH | CBJ | CBF | HBF | 165.7° | 51.7° |
CBJ | CBH | NAR | HAR | 69.4° | 166.3° |
OAT | CBI | CAY | CBG | 168.0° | 148.1° |
OAT | CBI | CAY | CAQ | 128.4° | 101.9° |
OAT | CBI | CAY | CAX | 53.7° | 77.7° |
OAT | CBI | CBG | CAK | 130.6° | 123.5° |
OAT | CBI | CBG | OAH | 97.2° | 116.9° |
OAT | CBI | CBG | HBG | 18.9° | 4.0° |
CBI | CAY | CAQ | CAX | 177.9° | 179.6° |
CBI | CAY | CAQ | CAU | 179.0° | 174.5° |
CBI | CAY | CAX | CBE | 179.7° | 173.1° |
CBI | CAY | CAX | NAR | 0.0° | 10.3° |
CAY | CBI | CBG | CAK | 62.1° | 93.0° |
CAY | CBI | CBG | OAH | 70.1° | 26.7° |
CBI | CAY | CAQ | HAQ | 1.1° | 5.4° |
CAY | CBI | CBG | HBG | 173.7° | 147.5° |
CBG | CBI | CAY | CAQ | 39.6° | 46.3° |
CBG | CBI | CAY | CAX | 138.3° | 134.2° |
CBI | CBG | CAK | OAH | 129.7° | 119.6° |
CBI | CBG | CAK | HBG | 112.4° | 119.6° |
CBI | CBG | OAH | HBG | 114.5° | 120.8° |
CBI | CBG | OAH | HAH | 180.0° | 180.0° |
CBI | CBG | CAK | CAI | 41.4° | 34.3° |
CAY | CAQ | CAU | HAQ | 180.0° | 179.9° |
CAY | CAQ | CAU | OAE | 179.5° | 179.5° |
CAY | CAQ | CAU | CBC | 0.1° | 0.5° |
CAQ | CAY | CAX | CBE | 1.7° | 6.5° |
CAQ | CAY | CAX | NAR | 178.0° | 170.1° |
CAX | CAY | CAQ | CAU | 1.0° | 5.1° |
CAY | CAX | CBE | CBC | 1.4° | 2.4° |
CAY | CAX | CBE | CBA | 179.8° | 176.1° |
CAY | CAX | CBE | NAR | 179.7° | 176.6° |
CAY | CAX | NAR | CBH | 33.7° | 35.9° |
CAX | CAY | CAQ | HAQ | 179.0° | 175.0° |
CAY | CAX | NAR | HAR | 87.9° | 171.1° |
CAQ | CAU | OAE | CBC | 179.5° | 180.0° |
CAQ | CAU | CBC | CAZ | 179.8° | 176.0° |
CAQ | CAU | CBC | CBE | 0.3° | 4.5° |
CAQ | CAU | OAE | HBI | 179.9° | 89.9° |
OAE | CAU | CBC | CAZ | 0.7° | 4.0° |
OAE | CAU | CBC | CBE | 179.8° | 175.5° |
OAE | CAU | CAQ | HAQ | 0.5° | 0.6° |
CAU | CBC | CAZ | CBE | 179.5° | 179.5° |
CAU | CBC | CAZ | OAC | 0.5° | 3.3° |
CAU | CBC | CAZ | CBB | 178.1° | 176.8° |
CAU | CBC | CBE | CBA | 179.2° | 178.4° |
CAU | CBC | CBE | CAX | 0.4° | 3.1° |
CBC | CAU | CAQ | HAQ | 180.0° | 179.4° |
CBC | CAU | OAE | HBI | 0.4° | 90.0° |
CBC | CAZ | OAC | CBB | 178.5° | 179.9° |
CBC | CAZ | CBB | CAP | 179.0° | 174.7° |
CBC | CAZ | CBB | CBD | 0.1° | 5.2° |
CAZ | CBC | CBE | CBA | 0.3° | 1.0° |
CAZ | CBC | CBE | CAX | 179.2° | 177.5° |
CBE | CBC | CAZ | OAC | 180.0° | 176.2° |
CBE | CBC | CAZ | CBB | 1.5° | 3.8° |
CBC | CBE | CBA | CBD | 2.2° | 4.4° |
CBC | CBE | CBA | OAD | 178.9° | 175.6° |
CBC | CBE | CBA | CAX | 178.8° | 178.5° |
CBC | CBE | CAX | NAR | 178.3° | 174.2° |
OAC | CAZ | CBB | CAP | 0.5° | 5.4° |
OAC | CAZ | CBB | CBD | 178.7° | 174.7° |
CAZ | CBB | CAP | CBD | 179.2° | 179.9° |
CAZ | CBB | CAP | CAO | 179.0° | 179.6° |
CAZ | CBB | CBD | CAV | 178.9° | 179.2° |
CAZ | CBB | CBD | CBA | 2.4° | 1.8° |
CAZ | CBB | CAP | HAP | 1.0° | 0.4° |
CBB | CAP | CAO | HAP | 180.0° | 180.0° |
CBB | CAP | CAO | CAW | 1.7° | 0.1° |
CAP | CBB | CBD | CAV | 1.9° | 0.9° |
CAP | CBB | CBD | CBA | 178.4° | 178.1° |
CBB | CAP | CAO | HAO | 178.3° | 179.9° |
CBD | CBB | CAP | CAO | 1.9° | 0.5° |
CBB | CBD | CAV | CAW | 1.9° | 0.7° |
CBB | CBD | CAV | OAF | 177.7° | 179.2° |
CBB | CBD | CAV | CBA | 176.5° | 179.0° |
CBB | CBD | CBA | OAD | 177.6° | 177.0° |
CBB | CBD | CBA | CBE | 3.6° | 3.0° |
CBD | CBB | CAP | HAP | 178.2° | 179.5° |
CAP | CAO | CAW | HAO | 180.0° | 180.0° |
CAP | CAO | CAW | OAS | 178.4° | 179.7° |
CAP | CAO | CAW | CAV | 1.5° | 0.3° |
CAO | CAW | OAS | CAV | 177.0° | 180.0° |
CAO | CAW | OAS | CAA | 18.4° | 0.0° |
CAO | CAW | CAV | OAF | 177.9° | 179.8° |
CAO | CAW | CAV | CBD | 1.7° | 0.1° |
CAW | CAO | CAP | HAP | 178.3° | 180.0° |
OAS | CAW | CAV | OAF | 0.6° | 0.2° |
OAS | CAW | CAV | CBD | 178.9° | 179.9° |
OAS | CAW | CAO | HAO | 1.6° | 0.2° |
CAW | OAS | CAA | HAA | 180.0° | 60.0° |
CAW | OAS | CAA | HAB | 60.0° | 60.0° |
CAW | OAS | CAA | HAC | 60.0° | 180.0° |
CAV | CAW | OAS | CAA | 164.7° | 180.0° |
CAW | CAV | OAF | CBD | 179.6° | 180.0° |
CAW | CAV | CBD | CBA | 178.4° | 178.3° |
CAV | CAW | CAO | HAO | 178.4° | 179.8° |
CAW | CAV | OAF | HBJ | 179.0° | 90.0° |
OAS | CAA | HAA | HAB | 120.0° | 120.0° |
OAS | CAA | HAA | HAC | 120.0° | 120.0° |
OAS | CAA | HAB | HAC | 120.0° | 120.0° |
OAF | CAV | CBD | CBA | 1.2° | 1.8° |
CAV | CBD | CBA | OAD | 1.1° | 4.0° |
CAV | CBD | CBA | CBE | 180.0° | 176.0° |
CBD | CAV | OAF | HBJ | 0.6° | 89.9° |
CBD | CBA | OAD | CBE | 178.8° | 180.0° |
CBD | CBA | CBE | CAX | 176.6° | 174.1° |
OAD | CBA | CBE | CAX | 2.2° | 5.9° |
CBA | CBE | CAX | NAR | 0.5° | 7.3° |
CBE | CAX | NAR | CBH | 146.0° | 147.6° |
CBE | CAX | NAR | HAR | 92.4° | 12.3° |
CAX | NAR | CBH | HAR | 121.6° | 135.3° |
CAX | NAR | CBH | CAL | 67.6° | 146.4° |
CAX | NAR | CBH | HBH | 171.7° | 96.7° |
NAR | CBH | CAL | HBH | 121.0° | 120.2° |
NAR | CBH | CAL | CAJ | 83.2° | 72.8° |
CBH | CAL | CAJ | CAN | 17.4° | 60.8° |
CAL | CBH | NAR | HAR | 170.8° | 78.3° |
CAJ | CAN | CAM | HAN | 180.0° | 179.6° |
CAJ | CAN | CAM | CAI | 0.0° | 0.8° |
CAJ | CAN | CAM | HAM | 180.0° | 178.4° |
CAN | CAM | CAI | HAM | 180.0° | 179.2° |
CAM | CAN | CAJ | CAL | 3.8° | 59.1° |
CAN | CAM | CAI | CAK | 1.7° | 106.1° |
CAM | CAI | CAK | CBG | 15.3° | 72.7° |
CAI | CAM | CAN | HAN | 180.0° | 179.5° |
CAK | CBG | OAH | HBG | 115.6° | 120.7° |
CAK | CBG | OAH | HAH | 50.1° | 61.5° |
OAH | CBG | CAK | CAI | 171.1° | 154.0° |
CAJ | CAL | CBH | HBH | 155.8° | 167.0° |
CAL | CAJ | CAN | HAN | 176.3° | 120.5° |
HAF | CAB | HAD | HAE | 120.0° | 120.1° |
HAF | CAB | CBF | HBF | 63.1° | 82.5° |
HAD | CAB | CBF | HBF | 176.9° | 37.5° |
HAE | CAB | CBF | HBF | 56.8° | 157.4° |
HBF | CBF | OAG | HAG | 63.9° | 175.9° |
HAP | CAP | CAO | HAO | 1.7° | 0.0° |
HAA | CAA | HAB | HAC | 120.0° | 120.0° |
HAR | NAR | CBH | HBH | 50.2° | 38.5° |
HAN | CAN | CAM | HAM | 0.0° | 1.2° |
HAM | CAM | CAI | CAK | 178.3° | 73.1° |
HBG | CBG | OAH | HAH | 65.5° | 59.2° |
HBG | CBG | CAK | CAI | 71.0° | 85.2° |