NP2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NZ | CA | sing | 1.47Å | 1.49Å | |
NZ | HNZ1 | sing | 1.01Å | 1.02Å | |
NZ | HNZ2 | sing | 1.01Å | 1.02Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | HA1 | sing | 1.09Å | 1.12Å | |
CA | HA2 | sing | 1.09Å | 1.12Å | |
CB | CG | sing | 1.53Å | 1.54Å | |
CB | HB1 | sing | 1.09Å | 1.11Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
CG | NE | sing | 1.46Å | 1.50Å | |
CG | HG1 | sing | 1.09Å | 1.11Å | |
CG | HG2 | sing | 1.09Å | 1.11Å | |
NE | CD | sing | 1.40Å | 1.33Å | |
NE | HNE | sing | 0.97Å | 1.02Å | |
CD | CE1 | doub | 1.39Å | 1.41Å | Aromatic |
CD | CE2 | sing | 1.39Å | 1.42Å | Aromatic |
CE1 | CR1 | sing | 1.38Å | 1.41Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.10Å | |
CE2 | NO2 | sing | 1.48Å | 1.33Å | |
CE2 | CR2 | doub | 1.38Å | 1.42Å | Aromatic |
NO2 | OC1 | doub | 1.22Å | 1.42Å | |
NO2 | OC2 | sing | 1.22Å | 1.42Å | |
CR1 | CZ | doub | 1.38Å | 1.42Å | Aromatic |
CR1 | HR1 | sing | 1.08Å | 1.10Å | |
CR2 | CZ | sing | 1.38Å | 1.41Å | Aromatic |
CR2 | HR2 | sing | 1.08Å | 1.10Å | |
CZ | HZ | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | NZ | HNZ1 | 114.0° | 106.7° |
CA | NZ | HNZ2 | 104.8° | 106.7° |
NZ | CA | CB | 104.8° | 109.5° |
NZ | CA | HA1 | 114.0° | 109.5° |
NZ | CA | HA2 | 114.0° | 109.5° |
HNZ1 | NZ | HNZ2 | 114.0° | 106.7° |
CB | CA | HA1 | 114.0° | 109.5° |
CB | CA | HA2 | 114.0° | 109.5° |
CA | CB | CG | 110.5° | 109.5° |
CA | CB | HB1 | 111.8° | 109.4° |
CA | CB | HB2 | 111.8° | 109.5° |
HA1 | CA | HA2 | 96.5° | 109.5° |
CG | CB | HB1 | 111.8° | 109.4° |
CG | CB | HB2 | 111.8° | 109.5° |
CB | CG | NE | 106.8° | 109.5° |
CB | CG | HG1 | 113.2° | 109.5° |
CB | CG | HG2 | 113.2° | 109.5° |
HB1 | CB | HB2 | 98.6° | 109.5° |
NE | CG | HG1 | 113.2° | 109.4° |
NE | CG | HG2 | 113.2° | 109.5° |
CG | NE | CD | 119.5° | 120.0° |
CG | NE | HNE | 108.6° | 120.0° |
HG1 | CG | HG2 | 97.2° | 109.4° |
CD | NE | HNE | 108.6° | 120.0° |
NE | CD | CE1 | 119.4° | 120.1° |
NE | CD | CE2 | 120.8° | 120.1° |
CE1 | CD | CE2 | 119.8° | 119.8° |
CD | CE1 | CR1 | 120.3° | 119.9° |
CD | CE1 | HE1 | 119.9° | 120.0° |
CD | CE2 | NO2 | 120.9° | 120.1° |
CD | CE2 | CR2 | 119.7° | 119.9° |
CR1 | CE1 | HE1 | 119.8° | 120.0° |
CE1 | CR1 | CZ | 120.0° | 120.1° |
CE1 | CR1 | HR1 | 119.9° | 119.9° |
NO2 | CE2 | CR2 | 119.4° | 120.0° |
CE2 | NO2 | OC1 | 120.6° | 120.0° |
CE2 | NO2 | OC2 | 119.7° | 120.0° |
CE2 | CR2 | CZ | 120.1° | 120.1° |
CE2 | CR2 | HR2 | 120.1° | 119.9° |
OC1 | NO2 | OC2 | 119.7° | 120.0° |
CZ | CR1 | HR1 | 120.1° | 120.0° |
CR1 | CZ | CR2 | 120.0° | 120.1° |
CR1 | CZ | HZ | 120.1° | 119.9° |
CZ | CR2 | HR2 | 119.8° | 120.0° |
CR2 | CZ | HZ | 119.9° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | NZ | HNZ1 | HNZ2 | 120.2° | 113.8° |
NZ | CA | CB | HA1 | 125.3° | 120.0° |
NZ | CA | CB | HA2 | 125.2° | 120.0° |
NZ | CA | HA1 | HA2 | 119.9° | 120.0° |
NZ | CA | CB | CG | 53.6° | 180.0° |
NZ | CA | CB | HB1 | 178.8° | 60.1° |
NZ | CA | CB | HB2 | 71.7° | 60.0° |
HNZ1 | NZ | CA | CB | 54.8° | 66.2° |
HNZ1 | NZ | CA | HA1 | 70.5° | 173.8° |
HNZ1 | NZ | CA | HA2 | 180.0° | 53.8° |
HNZ2 | NZ | CA | CB | 180.0° | 180.0° |
HNZ2 | NZ | CA | HA1 | 54.7° | 60.0° |
HNZ2 | NZ | CA | HA2 | 54.7° | 60.0° |
CB | CA | HA1 | HA2 | 119.9° | 120.0° |
CA | CB | CG | HB1 | 125.3° | 120.0° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | HB1 | HB2 | 117.7° | 120.0° |
CA | CB | CG | NE | 45.3° | 180.0° |
CA | CB | CG | HG1 | 170.6° | 60.0° |
CA | CB | CG | HG2 | 80.0° | 59.9° |
HA1 | CA | CB | CG | 71.7° | 60.0° |
HA1 | CA | CB | HB1 | 53.5° | 180.0° |
HA1 | CA | CB | HB2 | 163.0° | 60.0° |
HA2 | CA | CB | CG | 178.8° | 60.0° |
HA2 | CA | CB | HB1 | 56.0° | 60.0° |
HA2 | CA | CB | HB2 | 53.5° | NaN° |
CG | CB | HB1 | HB2 | 117.7° | 120.0° |
CB | CG | NE | HG1 | 125.3° | 120.0° |
CB | CG | NE | HG2 | 125.3° | 120.1° |
CB | CG | HG1 | HG2 | 119.2° | 120.0° |
CB | CG | NE | CD | 112.0° | 180.0° |
CB | CG | NE | HNE | 122.7° | 0.1° |
HB1 | CB | CG | NE | 80.0° | 60.1° |
HB1 | CB | CG | HG1 | 45.3° | 180.0° |
HB1 | CB | CG | HG2 | 154.8° | 60.0° |
HB2 | CB | CG | NE | 170.5° | 60.0° |
HB2 | CB | CG | HG1 | 64.2° | 60.0° |
HB2 | CB | CG | HG2 | 45.3° | 180.0° |
NE | CG | HG1 | HG2 | 119.1° | 120.0° |
CG | NE | CD | HNE | 125.3° | 179.9° |
CG | NE | CD | CE1 | 106.2° | 5.9° |
CG | NE | CD | CE2 | 73.1° | 173.8° |
HG1 | CG | NE | CD | 13.3° | 60.0° |
HG1 | CG | NE | HNE | 112.0° | 120.1° |
HG2 | CG | NE | CD | 122.7° | 59.9° |
HG2 | CG | NE | HNE | 2.6° | 120.0° |
NE | CD | CE1 | CE2 | 179.3° | 179.8° |
NE | CD | CE1 | CR1 | 179.5° | 179.9° |
NE | CD | CE1 | HE1 | 0.5° | 0.0° |
NE | CD | CE2 | NO2 | 0.7° | 0.2° |
NE | CD | CE2 | CR2 | 179.3° | 179.7° |
HNE | NE | CD | CE1 | 128.5° | 174.2° |
HNE | NE | CD | CE2 | 52.2° | 6.1° |
CD | CE1 | CR1 | HE1 | 180.0° | 179.9° |
CE1 | CD | CE2 | NO2 | 179.9° | 180.0° |
CE1 | CD | CE2 | CR2 | 0.1° | 0.5° |
CD | CE1 | CR1 | CZ | 0.4° | 0.1° |
CD | CE1 | CR1 | HR1 | 179.6° | 180.0° |
CE2 | CD | CE1 | CR1 | 0.3° | 0.3° |
CE2 | CD | CE1 | HE1 | 179.7° | 179.8° |
CD | CE2 | NO2 | CR2 | 180.0° | 179.5° |
CD | CE2 | NO2 | OC1 | 0.3° | 142.0° |
CD | CE2 | NO2 | OC2 | 179.9° | 37.9° |
CD | CE2 | CR2 | CZ | 0.1° | 0.6° |
CD | CE2 | CR2 | HR2 | 179.9° | 179.7° |
CE1 | CR1 | CZ | HR1 | 180.0° | 179.9° |
CE1 | CR1 | CZ | CR2 | 0.4° | 0.1° |
CE1 | CR1 | CZ | HZ | 179.7° | 180.0° |
HE1 | CE1 | CR1 | CZ | 179.6° | 180.0° |
HE1 | CE1 | CR1 | HR1 | 0.4° | 0.1° |
CE2 | NO2 | OC1 | OC2 | 179.7° | 180.0° |
NO2 | CE2 | CR2 | CZ | 180.0° | 180.0° |
NO2 | CE2 | CR2 | HR2 | 0.0° | 0.2° |
CR2 | CE2 | NO2 | OC1 | 179.7° | 37.5° |
CR2 | CE2 | NO2 | OC2 | 0.0° | 142.6° |
CE2 | CR2 | CZ | CR1 | 0.2° | 0.3° |
CE2 | CR2 | CZ | HR2 | 180.0° | 179.8° |
CE2 | CR2 | CZ | HZ | 179.8° | 179.8° |
CR1 | CZ | CR2 | HZ | 180.0° | 179.9° |
CR1 | CZ | CR2 | HR2 | 179.8° | 179.9° |
HR1 | CR1 | CZ | CR2 | 179.7° | 180.0° |
HR1 | CR1 | CZ | HZ | 0.3° | 0.1° |
HR2 | CR2 | CZ | HZ | 0.2° | 0.0° |