17N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | OAL | sing | 1.43Å | 1.47Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
OAB | CAO | doub | 1.22Å | 1.25Å | |
OAC | CAY | doub | 1.22Å | 1.46Å | |
CAO | OAD | sing | 1.35Å | 1.26Å | |
OAD | HOAD | sing | 0.97Å | 0.95Å | |
CAY | OAE | sing | 1.35Å | 1.44Å | |
OAE | HOAE | sing | 0.97Å | 0.95Å | |
CAG | CAF | doub | 1.39Å | 1.38Å | Aromatic |
CAF | CAH | sing | 1.38Å | 1.40Å | Aromatic |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAG | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAH | CAV | doub | 1.40Å | 1.41Å | Aromatic |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAR | CAI | doub | 1.39Å | 1.38Å | Aromatic |
CAP | CAI | sing | 1.39Å | 1.38Å | Aromatic |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAU | CAJ | sing | 1.41Å | 1.38Å | Aromatic |
CAJ | CAS | doub | 1.38Å | 1.40Å | Aromatic |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
OAN | CAK | sing | 1.44Å | 1.49Å | |
CAK | OAM | sing | 1.44Å | 1.43Å | |
CAK | HAK | sing | 1.09Å | 1.10Å | |
CAK | HAKA | sing | 1.09Å | 1.10Å | |
OAL | CAQ | sing | 1.36Å | 1.37Å | |
CAP | OAM | sing | 1.37Å | 1.36Å | |
CAT | OAN | sing | 1.36Å | 1.38Å | |
CAR | CAO | sing | 1.47Å | 1.54Å | |
CAT | CAP | doub | 1.39Å | 1.42Å | Aromatic |
CAQ | CAU | doub | 1.41Å | 1.42Å | Aromatic |
CAW | CAR | sing | 1.41Å | 1.42Å | Aromatic |
CAS | CAY | sing | 1.47Å | 1.33Å | |
CAS | CAW | sing | 1.46Å | 1.41Å | Aromatic |
CAX | CAT | sing | 1.40Å | 1.44Å | Aromatic |
CAU | CAV | sing | 1.41Å | 1.43Å | Aromatic |
CAV | CAX | sing | 1.47Å | 1.44Å | Aromatic |
CAX | CAW | doub | 1.41Å | 1.42Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAL | CAA | HAA | 109.5° | 109.4° |
OAL | CAA | HAAA | 109.5° | 109.4° |
OAL | CAA | HAAB | 109.5° | 109.5° |
CAA | OAL | CAQ | 109.9° | 117.0° |
HAA | CAA | HAAA | 109.5° | 109.5° |
HAA | CAA | HAAB | 109.4° | 109.5° |
HAAA | CAA | HAAB | 109.5° | 109.5° |
OAB | CAO | OAD | 124.0° | 120.0° |
OAB | CAO | CAR | 118.1° | 120.0° |
OAC | CAY | OAE | 122.8° | 120.0° |
OAC | CAY | CAS | 117.6° | 120.0° |
CAO | OAD | HOAD | 109.5° | 117.0° |
OAD | CAO | CAR | 117.0° | 120.0° |
CAY | OAE | HOAE | 109.5° | 117.0° |
OAE | CAY | CAS | 119.6° | 120.0° |
CAG | CAF | CAH | 120.5° | 120.7° |
CAG | CAF | HAF | 119.7° | 119.6° |
CAF | CAG | CAQ | 119.5° | 120.6° |
CAF | CAG | HAG | 120.2° | 119.7° |
CAH | CAF | HAF | 119.7° | 119.6° |
CAF | CAH | CAV | 122.6° | 120.0° |
CAF | CAH | HAH | 118.7° | 120.0° |
CAQ | CAG | HAG | 120.2° | 119.6° |
CAG | CAQ | OAL | 118.9° | 120.2° |
CAG | CAQ | CAU | 119.7° | 119.7° |
CAV | CAH | HAH | 118.7° | 120.0° |
CAH | CAV | CAU | 115.6° | 119.8° |
CAH | CAV | CAX | 122.8° | 120.7° |
CAR | CAI | CAP | 121.4° | 120.7° |
CAR | CAI | HAI | 119.3° | 119.7° |
CAI | CAR | CAO | 111.8° | 120.2° |
CAI | CAR | CAW | 120.8° | 119.6° |
CAP | CAI | HAI | 119.3° | 119.7° |
CAI | CAP | OAM | 128.1° | 131.0° |
CAI | CAP | CAT | 119.4° | 120.5° |
CAU | CAJ | CAS | 121.0° | 121.2° |
CAU | CAJ | HAJ | 119.5° | 119.4° |
CAJ | CAU | CAQ | 119.8° | 120.3° |
CAJ | CAU | CAV | 118.2° | 120.5° |
CAS | CAJ | HAJ | 119.5° | 119.4° |
CAJ | CAS | CAY | 115.5° | 119.9° |
CAJ | CAS | CAW | 122.4° | 120.2° |
OAN | CAK | OAM | 104.4° | 103.6° |
OAN | CAK | HAK | 111.2° | 110.5° |
OAN | CAK | HAKA | 111.2° | 110.7° |
CAK | OAN | CAT | 108.1° | 105.5° |
OAM | CAK | HAK | 111.2° | 110.6° |
OAM | CAK | HAKA | 111.2° | 110.6° |
CAK | OAM | CAP | 106.6° | 105.5° |
HAK | CAK | HAKA | 107.7° | 110.6° |
OAL | CAQ | CAU | 121.4° | 120.1° |
OAM | CAP | CAT | 112.5° | 108.5° |
OAN | CAT | CAP | 105.6° | 108.7° |
OAN | CAT | CAX | 133.3° | 131.3° |
CAO | CAR | CAW | 127.3° | 120.2° |
CAP | CAT | CAX | 121.1° | 119.9° |
CAQ | CAU | CAV | 122.0° | 119.1° |
CAR | CAW | CAS | 122.0° | 121.0° |
CAR | CAW | CAX | 119.6° | 119.5° |
CAY | CAS | CAW | 122.1° | 119.9° |
CAS | CAW | CAX | 118.3° | 119.5° |
CAT | CAX | CAV | 123.9° | 121.1° |
CAT | CAX | CAW | 117.6° | 119.9° |
CAU | CAV | CAX | 121.6° | 119.5° |
CAV | CAX | CAW | 118.5° | 119.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAL | CAA | HAA | HAAA | 120.0° | 119.9° |
OAL | CAA | HAA | HAAB | 120.0° | 120.0° |
OAL | CAA | HAAA | HAAB | 120.0° | 120.0° |
CAA | OAL | CAQ | CAG | 19.8° | 0.1° |
CAA | OAL | CAQ | CAU | 161.8° | 180.0° |
HAA | CAA | HAAA | HAAB | 120.0° | 120.1° |
HAA | CAA | OAL | CAQ | 180.0° | 60.0° |
HAAA | CAA | OAL | CAQ | 60.0° | 179.9° |
HAAB | CAA | OAL | CAQ | 60.0° | 60.1° |
OAB | CAO | OAD | CAR | 168.8° | 180.0° |
OAB | CAO | OAD | HOAD | 0.0° | 0.0° |
OAB | CAO | CAR | CAI | 58.3° | 113.7° |
OAB | CAO | CAR | CAW | 123.6° | 66.2° |
OAC | CAY | OAE | CAS | 176.8° | 180.0° |
OAC | CAY | OAE | HOAE | 0.0° | 0.1° |
OAC | CAY | CAS | CAJ | 102.4° | 113.7° |
OAC | CAY | CAS | CAW | 76.1° | 66.3° |
OAD | CAO | CAR | CAI | 111.1° | 66.3° |
OAD | CAO | CAR | CAW | 66.9° | 113.8° |
HOAD | OAD | CAO | CAR | 168.8° | 180.0° |
OAE | CAY | CAS | CAJ | 74.6° | 66.3° |
OAE | CAY | CAS | CAW | 106.9° | 113.7° |
HOAE | OAE | CAY | CAS | 176.9° | 180.0° |
CAG | CAF | CAH | HAF | 180.0° | 179.8° |
CAF | CAG | CAQ | HAG | 180.0° | 180.0° |
CAG | CAF | CAH | CAV | 0.3° | 0.2° |
CAG | CAF | CAH | HAH | 179.7° | 179.8° |
CAF | CAG | CAQ | OAL | 179.0° | 180.0° |
CAF | CAG | CAQ | CAU | 0.5° | 0.1° |
CAH | CAF | CAG | CAQ | 0.1° | 0.0° |
CAH | CAF | CAG | HAG | 179.9° | 180.0° |
CAF | CAH | CAV | HAH | 180.0° | 179.9° |
CAF | CAH | CAV | CAU | 0.2° | 0.3° |
CAF | CAH | CAV | CAX | 179.8° | 179.9° |
HAF | CAF | CAG | CAQ | 179.9° | 179.7° |
HAF | CAF | CAG | HAG | 0.1° | 0.2° |
HAF | CAF | CAH | CAV | 179.7° | 179.9° |
HAF | CAF | CAH | HAH | 0.3° | 0.0° |
CAG | CAQ | CAU | CAJ | 179.6° | 179.9° |
CAG | CAQ | OAL | CAU | 178.4° | 179.9° |
CAG | CAQ | CAU | CAV | 0.7° | 0.1° |
HAG | CAG | CAQ | OAL | 1.0° | 0.0° |
HAG | CAG | CAQ | CAU | 179.5° | 180.0° |
CAH | CAV | CAU | CAJ | 179.2° | 179.9° |
CAH | CAV | CAU | CAQ | 0.3° | 0.3° |
CAH | CAV | CAX | CAT | 1.2° | 0.2° |
CAH | CAV | CAU | CAX | 179.6° | 179.5° |
CAH | CAV | CAX | CAW | 179.1° | 179.9° |
HAH | CAH | CAV | CAU | 179.8° | 179.6° |
HAH | CAH | CAV | CAX | 0.2° | 0.1° |
CAR | CAI | CAP | HAI | 180.0° | 179.9° |
CAR | CAI | CAP | OAM | 179.9° | 180.0° |
CAI | CAR | CAO | CAW | 178.0° | 180.0° |
CAR | CAI | CAP | CAT | 1.6° | 0.1° |
CAI | CAR | CAW | CAS | 178.6° | 179.2° |
CAI | CAR | CAW | CAX | 0.1° | 0.0° |
CAI | CAP | OAM | CAK | 170.5° | 162.7° |
CAI | CAP | OAM | CAT | 178.4° | 179.9° |
CAI | CAP | CAT | OAN | 179.2° | 179.9° |
CAP | CAI | CAR | CAO | 179.0° | 180.0° |
CAP | CAI | CAR | CAW | 0.8° | 0.0° |
CAI | CAP | CAT | CAX | 1.4° | 0.1° |
HAI | CAI | CAP | OAM | 0.1° | 0.1° |
HAI | CAI | CAR | CAO | 1.0° | 0.1° |
HAI | CAI | CAP | CAT | 178.4° | 180.0° |
HAI | CAI | CAR | CAW | 179.2° | 179.9° |
CAU | CAJ | CAS | HAJ | 180.0° | 179.4° |
CAJ | CAU | CAQ | OAL | 2.0° | 0.1° |
CAJ | CAU | CAQ | CAV | 178.9° | 179.8° |
CAU | CAJ | CAS | CAY | 179.7° | 179.5° |
CAU | CAJ | CAS | CAW | 1.2° | 0.5° |
CAJ | CAU | CAV | CAX | 0.4° | 0.4° |
CAS | CAJ | CAU | CAQ | 179.6° | 179.8° |
CAJ | CAS | CAW | CAR | 179.8° | 179.9° |
CAJ | CAS | CAY | CAW | 178.5° | 180.0° |
CAS | CAJ | CAU | CAV | 0.7° | 0.4° |
CAJ | CAS | CAW | CAX | 1.3° | 0.7° |
HAJ | CAJ | CAU | CAQ | 0.4° | 0.4° |
HAJ | CAJ | CAS | CAY | 0.3° | 0.1° |
HAJ | CAJ | CAS | CAW | 178.8° | 179.9° |
HAJ | CAJ | CAU | CAV | 179.3° | 179.8° |
OAN | CAK | OAM | HAK | 120.0° | 118.5° |
OAN | CAK | OAM | HAKA | 120.0° | 118.7° |
OAN | CAK | HAK | HAKA | 122.1° | 123.0° |
OAN | CAK | OAM | CAP | 16.1° | 27.2° |
CAK | OAN | CAT | CAP | 9.8° | 17.5° |
CAK | OAN | CAT | CAX | 169.6° | 162.6° |
OAM | CAK | HAK | HAKA | 122.1° | 122.9° |
OAM | CAK | OAN | CAT | 16.2° | 27.3° |
CAK | OAM | CAP | CAT | 11.1° | 17.3° |
HAK | CAK | OAM | CAP | 136.1° | 145.7° |
HAK | CAK | OAN | CAT | 136.2° | 145.8° |
HAKA | CAK | OAM | CAP | 103.9° | 91.5° |
HAKA | CAK | OAN | CAT | 103.8° | 91.3° |
OAL | CAQ | CAU | CAV | 179.1° | 179.9° |
OAM | CAP | CAT | OAN | 0.6° | 0.1° |
OAM | CAP | CAT | CAX | 180.0° | 179.9° |
OAN | CAT | CAP | CAX | 179.4° | 180.0° |
OAN | CAT | CAX | CAV | 0.6° | 0.2° |
OAN | CAT | CAX | CAW | 179.7° | 179.9° |
CAO | CAR | CAW | CAS | 0.8° | 0.9° |
CAO | CAR | CAW | CAX | 177.7° | 179.9° |
CAP | CAT | CAX | CAV | 179.8° | 179.9° |
CAP | CAT | CAX | CAW | 0.5° | 0.1° |
CAQ | CAU | CAV | CAX | 179.3° | 179.8° |
CAR | CAW | CAS | CAY | 1.8° | 0.1° |
CAR | CAW | CAS | CAX | 178.5° | 179.2° |
CAR | CAW | CAX | CAT | 0.3° | 0.0° |
CAR | CAW | CAX | CAV | 179.4° | 179.9° |
CAY | CAS | CAW | CAX | 179.7° | 179.3° |
CAS | CAW | CAX | CAT | 178.8° | 179.2° |
CAS | CAW | CAX | CAV | 0.9° | 0.7° |
CAT | CAX | CAV | CAU | 179.3° | 179.4° |
CAT | CAX | CAV | CAW | 179.7° | 179.9° |
CAU | CAV | CAX | CAW | 0.5° | 0.6° |