G2N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAC | CAS | sing | 1.39Å | 1.35Å | |
CAE | CAF | sing | 1.38Å | 1.40Å | Aromatic |
CAF | CAH | doub | 1.38Å | 1.38Å | Aromatic |
CAG | CAE | doub | 1.38Å | 1.40Å | Aromatic |
CAG | CAI | sing | 1.38Å | 1.39Å | Aromatic |
CAI | CAT | doub | 1.40Å | 1.39Å | Aromatic |
CAJ | CAU | sing | 1.39Å | 1.38Å | Aromatic |
CAK | CAA | sing | 1.53Å | 1.55Å | |
NAL | CAW | sing | 1.36Å | 1.30Å | |
NAM | CAU | doub | 1.33Å | 1.35Å | Aromatic |
NAN | CAQ | sing | 1.35Å | 1.34Å | |
NAO | CAV | sing | 1.39Å | 1.41Å | |
OAP | CAK | sing | 1.45Å | 1.50Å | |
CAQ | OAD | doub | 1.22Å | 1.23Å | |
CAQ | OAP | sing | 1.35Å | 1.36Å | |
CAR | NAL | doub | 1.30Å | 1.31Å | |
CAS | NAM | sing | 1.33Å | 1.34Å | Aromatic |
CAT | CAH | sing | 1.40Å | 1.40Å | Aromatic |
CAT | CAR | sing | 1.47Å | 1.37Å | |
CAU | NAN | sing | 1.39Å | 1.31Å | |
CAV | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
CAW | CAS | doub | 1.40Å | 1.38Å | Aromatic |
CAW | CAV | sing | 1.41Å | 1.39Å | Aromatic |
CAX | CAB | sing | 1.53Å | 1.52Å | |
CAX | NAO | sing | 1.47Å | 1.46Å | |
CAX | CAR | sing | 1.51Å | 1.55Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
CAB | HAB | sing | 1.09Å | 1.10Å | |
CAB | HABA | sing | 1.09Å | 1.10Å | |
CAB | HABB | sing | 1.09Å | 1.10Å | |
NAC | HNAC | sing | 0.97Å | 1.00Å | |
NAC | HNAA | sing | 0.97Å | 1.00Å | |
CAE | HAE | sing | 1.08Å | 1.08Å | |
CAF | HAF | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAK | HAK | sing | 1.09Å | 1.10Å | |
CAK | H16 | sing | 1.09Å | 1.10Å | |
NAN | HNAN | sing | 0.97Å | 1.00Å | |
NAO | H18 | sing | 0.97Å | 1.00Å | |
CAX | H19 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAC | CAS | NAM | 123.7° | 119.9° |
NAC | CAS | CAW | 119.0° | 119.9° |
CAS | NAC | HNAC | 109.5° | 120.0° |
CAS | NAC | HNAA | 109.5° | 120.0° |
CAE | CAF | CAH | 117.2° | 120.1° |
CAF | CAE | CAG | 122.3° | 120.3° |
CAF | CAE | HAE | 118.9° | 119.8° |
CAE | CAF | HAF | 121.4° | 119.9° |
CAF | CAH | CAT | 120.8° | 119.9° |
CAH | CAF | HAF | 121.4° | 120.0° |
CAF | CAH | HAH | 119.6° | 120.0° |
CAE | CAG | CAI | 120.0° | 120.2° |
CAG | CAE | HAE | 118.8° | 119.9° |
CAE | CAG | HAG | 120.0° | 119.9° |
CAG | CAI | CAT | 117.8° | 119.8° |
CAI | CAG | HAG | 120.0° | 119.9° |
CAG | CAI | HAI | 121.1° | 120.1° |
CAI | CAT | CAH | 121.8° | 119.7° |
CAI | CAT | CAR | 124.5° | 120.1° |
CAT | CAI | HAI | 121.1° | 120.1° |
CAJ | CAU | NAM | 122.6° | 121.1° |
CAJ | CAU | NAN | 120.5° | 119.5° |
CAU | CAJ | CAV | 117.3° | 118.8° |
CAU | CAJ | HAJ | 121.3° | 120.6° |
CAA | CAK | OAP | 126.1° | 109.5° |
CAK | CAA | HAA | 109.5° | 109.4° |
CAK | CAA | HAAA | 109.5° | 109.5° |
CAK | CAA | H3 | 109.5° | 109.5° |
CAA | CAK | HAK | 104.3° | 109.5° |
CAA | CAK | H16 | 104.3° | 109.4° |
CAW | NAL | CAR | 123.7° | 121.7° |
NAL | CAW | CAS | 116.4° | 121.7° |
NAL | CAW | CAV | 120.4° | 119.7° |
CAU | NAM | CAS | 121.6° | 122.3° |
NAM | CAU | NAN | 116.8° | 119.4° |
NAN | CAQ | OAD | 120.8° | 120.0° |
NAN | CAQ | OAP | 122.7° | 120.0° |
CAQ | NAN | CAU | 129.8° | 120.0° |
CAQ | NAN | HNAN | 115.1° | 120.0° |
NAO | CAV | CAJ | 121.5° | 122.3° |
NAO | CAV | CAW | 120.3° | 118.6° |
CAV | NAO | CAX | 122.7° | 117.1° |
CAV | NAO | H18 | 105.3° | 121.4° |
CAK | OAP | CAQ | 112.3° | 117.0° |
OAP | CAK | HAK | 104.3° | 109.5° |
OAP | CAK | H16 | 104.3° | 109.5° |
OAD | CAQ | OAP | 116.6° | 120.0° |
NAL | CAR | CAT | 105.6° | 119.2° |
NAL | CAR | CAX | 123.8° | 121.6° |
NAM | CAS | CAW | 117.3° | 120.1° |
CAH | CAT | CAR | 113.5° | 120.2° |
CAT | CAH | HAH | 119.6° | 120.1° |
CAT | CAR | CAX | 130.6° | 119.2° |
CAU | NAN | HNAN | 115.1° | 120.0° |
CAJ | CAV | CAW | 118.1° | 119.1° |
CAV | CAJ | HAJ | 121.3° | 120.6° |
CAS | CAW | CAV | 122.9° | 118.7° |
CAB | CAX | NAO | 104.9° | 109.6° |
CAB | CAX | CAR | 112.9° | 109.5° |
CAX | CAB | HAB | 109.5° | 109.5° |
CAX | CAB | HABA | 109.5° | 109.5° |
CAX | CAB | HABB | 109.5° | 109.5° |
CAB | CAX | H19 | 110.0° | 109.5° |
NAO | CAX | CAR | 108.6° | 109.0° |
CAX | NAO | H18 | 105.3° | 121.4° |
NAO | CAX | H19 | 114.2° | 109.6° |
CAR | CAX | H19 | 106.4° | 109.6° |
HAA | CAA | HAAA | 109.5° | 109.5° |
HAA | CAA | H3 | 109.5° | 109.4° |
HAAA | CAA | H3 | 109.4° | 109.4° |
HAB | CAB | HABA | 109.5° | 109.4° |
HAB | CAB | HABB | 109.5° | 109.5° |
HABA | CAB | HABB | 109.5° | 109.4° |
HNAC | NAC | HNAA | 109.5° | 120.0° |
HAK | CAK | H16 | 114.1° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAC | CAS | CAW | NAL | 5.1° | 0.1° |
NAC | CAS | NAM | CAU | 179.2° | 180.0° |
NAC | CAS | NAM | CAW | 178.7° | 179.6° |
NAC | CAS | CAW | CAV | 178.5° | 179.9° |
CAS | NAC | HNAC | HNAA | 120.0° | 180.0° |
CAE | CAF | CAH | HAF | 180.0° | 180.0° |
CAF | CAE | CAG | HAE | 180.0° | 179.7° |
CAF | CAE | CAG | CAI | 0.3° | 0.1° |
CAE | CAF | CAH | CAT | 0.9° | 0.1° |
CAF | CAE | CAG | HAG | 179.7° | 180.0° |
CAE | CAF | CAH | HAH | 179.1° | 180.0° |
CAH | CAF | CAE | CAG | 0.2° | 0.3° |
CAF | CAH | CAT | CAI | 2.6° | 0.6° |
CAF | CAH | CAT | HAH | 180.0° | 179.9° |
CAF | CAH | CAT | CAR | 178.5° | 179.8° |
CAH | CAF | CAE | HAE | 179.8° | 179.9° |
CAE | CAG | CAI | HAG | 180.0° | 179.9° |
CAE | CAG | CAI | CAT | 1.9° | 0.4° |
CAG | CAE | CAF | HAF | 179.8° | 179.7° |
CAE | CAG | CAI | HAI | 178.1° | 180.0° |
CAG | CAI | CAT | HAI | 180.0° | 179.5° |
CAG | CAI | CAT | CAH | 3.1° | 0.8° |
CAG | CAI | CAT | CAR | 178.5° | 180.0° |
CAI | CAG | CAE | HAE | 179.7° | 179.8° |
CAI | CAT | CAR | NAL | 113.5° | 0.0° |
CAI | CAT | CAH | CAR | 175.9° | 179.2° |
CAI | CAT | CAR | CAX | 66.9° | 180.0° |
CAT | CAI | CAG | HAG | 178.1° | 179.5° |
CAI | CAT | CAH | HAH | 177.4° | 179.5° |
CAJ | CAU | NAM | NAN | 176.2° | 180.0° |
CAJ | CAU | NAN | CAQ | 17.8° | 174.9° |
CAU | CAJ | CAV | NAO | 179.9° | 179.6° |
CAJ | CAU | NAM | CAS | 1.5° | 0.2° |
CAU | CAJ | CAV | HAJ | 180.0° | 179.7° |
CAU | CAJ | CAV | CAW | 1.9° | 0.3° |
CAJ | CAU | NAN | HNAN | 162.1° | 5.1° |
CAA | CAK | OAP | HAK | 120.0° | 120.0° |
CAA | CAK | OAP | H16 | 120.0° | 120.0° |
CAA | CAK | OAP | CAQ | 20.2° | 180.0° |
CAK | CAA | HAA | HAAA | 120.0° | 120.1° |
CAK | CAA | HAA | H3 | 120.0° | 120.0° |
CAK | CAA | HAAA | H3 | 120.0° | 120.1° |
CAA | CAK | HAK | H16 | 113.1° | 119.9° |
NAL | CAW | CAV | NAO | 6.0° | 0.6° |
NAL | CAW | CAS | NAM | 176.1° | 179.4° |
CAW | NAL | CAR | CAT | 174.2° | 178.7° |
NAL | CAW | CAV | CAJ | 175.8° | 179.5° |
NAL | CAW | CAS | CAV | 173.4° | 179.9° |
CAW | NAL | CAR | CAX | 5.4° | 1.3° |
NAM | CAU | NAN | CAQ | 165.9° | 5.1° |
NAM | CAU | CAJ | CAV | 1.4° | 0.2° |
CAU | NAM | CAS | CAW | 2.1° | 0.4° |
NAM | CAU | CAJ | HAJ | 178.6° | 179.9° |
NAM | CAU | NAN | HNAN | 14.1° | 174.9° |
NAN | CAQ | OAP | CAK | 179.2° | 180.0° |
NAN | CAQ | OAD | OAP | 178.9° | 180.0° |
CAQ | NAN | CAU | HNAN | 180.0° | 180.0° |
NAO | CAV | CAJ | CAW | 178.2° | 179.9° |
NAO | CAV | CAW | CAS | 179.2° | 179.4° |
CAV | NAO | CAX | CAB | 119.2° | 80.0° |
CAV | NAO | CAX | H18 | 120.0° | 180.0° |
CAV | NAO | CAX | CAR | 1.8° | 39.9° |
NAO | CAV | CAJ | HAJ | 0.0° | 0.2° |
CAV | NAO | CAX | H19 | 120.3° | 159.8° |
CAK | OAP | CAQ | OAD | 0.3° | 0.0° |
OAP | CAK | CAA | HAA | 180.0° | 60.1° |
OAP | CAK | CAA | HAAA | 60.0° | 60.0° |
OAP | CAK | CAA | H3 | 60.0° | 180.0° |
OAP | CAK | HAK | H16 | 113.1° | 120.0° |
OAD | CAQ | NAN | CAU | 178.8° | 5.1° |
OAD | CAQ | NAN | HNAN | 1.2° | 174.9° |
OAP | CAQ | NAN | CAU | 2.3° | 174.9° |
CAQ | OAP | CAK | HAK | 140.2° | 60.0° |
CAQ | OAP | CAK | H16 | 99.8° | 60.0° |
OAP | CAQ | NAN | HNAN | 177.7° | 5.1° |
NAL | CAR | CAT | CAH | 62.3° | 179.2° |
NAL | CAR | CAT | CAX | 179.6° | 180.0° |
CAR | NAL | CAW | CAS | 173.5° | 165.5° |
CAR | NAL | CAW | CAV | 0.1° | 14.6° |
NAL | CAR | CAX | CAB | 120.1° | 92.4° |
NAL | CAR | CAX | NAO | 4.2° | 27.5° |
NAL | CAR | CAX | H19 | 119.1° | 147.4° |
CAS | NAM | CAU | NAN | 177.7° | 179.7° |
NAM | CAS | CAW | CAV | 2.7° | 0.5° |
NAM | CAS | NAC | HNAC | 0.0° | 0.1° |
NAM | CAS | NAC | HNAA | 120.0° | 180.0° |
CAH | CAT | CAR | CAX | 117.3° | 0.8° |
CAT | CAH | CAF | HAF | 179.1° | 179.9° |
CAH | CAT | CAI | HAI | 176.9° | 179.7° |
CAT | CAR | CAX | CAB | 59.4° | 87.7° |
CAT | CAR | CAX | NAO | 175.4° | 152.5° |
CAR | CAT | CAH | HAH | 1.5° | 0.3° |
CAR | CAT | CAI | HAI | 1.5° | 0.5° |
CAT | CAR | CAX | H19 | 61.3° | 32.5° |
NAN | CAU | CAJ | CAV | 177.4° | 179.8° |
NAN | CAU | CAJ | HAJ | 2.6° | 0.0° |
CAJ | CAV | CAW | CAS | 2.6° | 0.5° |
CAJ | CAV | NAO | CAX | 175.1° | 151.8° |
CAJ | CAV | NAO | H18 | 55.1° | 28.2° |
CAW | CAS | NAC | HNAC | 178.7° | 179.5° |
CAW | CAS | NAC | HNAA | 61.3° | 0.5° |
CAW | CAV | NAO | CAX | 6.8° | 28.1° |
CAW | CAV | CAJ | HAJ | 178.2° | 180.0° |
CAW | CAV | NAO | H18 | 126.8° | 151.9° |
CAB | CAX | NAO | CAR | 121.0° | 119.9° |
CAB | CAX | NAO | H19 | 120.5° | 120.2° |
CAB | CAX | CAR | H19 | 120.7° | 120.2° |
CAX | CAB | HAB | HABA | 120.0° | 120.0° |
CAX | CAB | HAB | HABB | 120.0° | 120.0° |
CAX | CAB | HABA | HABB | 120.0° | 120.0° |
CAB | CAX | NAO | H18 | 0.8° | 100.0° |
NAO | CAX | CAR | H19 | 123.3° | 119.9° |
NAO | CAX | CAB | HAB | 180.0° | 60.0° |
NAO | CAX | CAB | HABA | 60.0° | 180.0° |
NAO | CAX | CAB | HABB | 60.0° | 60.0° |
CAR | CAX | CAB | HAB | 61.8° | 179.6° |
CAR | CAX | CAB | HABA | 58.1° | 60.4° |
CAR | CAX | CAB | HABB | 178.2° | 59.5° |
CAR | CAX | NAO | H18 | 121.8° | 140.1° |
HAA | CAA | HAAA | H3 | 120.0° | 119.9° |
HAA | CAA | CAK | HAK | 60.0° | 60.0° |
HAA | CAA | CAK | H16 | 60.0° | 179.9° |
HAAA | CAA | CAK | HAK | 60.0° | 180.0° |
HAAA | CAA | CAK | H16 | 180.0° | 60.0° |
H3 | CAA | CAK | HAK | 180.0° | 60.0° |
H3 | CAA | CAK | H16 | 60.0° | 60.0° |
HAB | CAB | HABA | HABB | 120.0° | 120.0° |
HAB | CAB | CAX | H19 | 56.8° | 60.2° |
HABA | CAB | CAX | H19 | 176.8° | 59.8° |
HABB | CAB | CAX | H19 | 63.2° | 179.7° |
HAE | CAE | CAF | HAF | 0.2° | 0.1° |
HAE | CAE | CAG | HAG | 0.3° | 0.3° |
HAF | CAF | CAH | HAH | 0.9° | 0.0° |
HAG | CAG | CAI | HAI | 1.9° | 0.0° |
H18 | NAO | CAX | H19 | 119.7° | 20.2° |