LND
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAB | CAP | doub | 1.22Å | 1.23Å | |
CAP | NAA | sing | 1.35Å | 1.34Å | |
CAP | CAQ | sing | 1.48Å | 1.51Å | |
CAQ | CAF | doub | 1.40Å | 1.39Å | Aromatic |
CAQ | CAG | sing | 1.40Å | 1.39Å | Aromatic |
CAF | CAI | sing | 1.38Å | 1.37Å | Aromatic |
CAG | CAJ | doub | 1.38Å | 1.37Å | Aromatic |
CAI | NAT | doub | 1.32Å | 1.33Å | Aromatic |
CAJ | NAT | sing | 1.32Å | 1.35Å | Aromatic |
NAT | CAM | sing | 1.47Å | 1.48Å | |
CAK | CAM | sing | 1.53Å | 1.52Å | |
CAK | CAL | sing | 1.53Å | 1.54Å | |
CAL | NAS | sing | 1.46Å | 1.48Å | |
CAH | NAS | sing | 1.37Å | 1.38Å | Aromatic |
CAH | CAE | doub | 1.35Å | 1.37Å | Aromatic |
NAS | CAR | sing | 1.37Å | 1.38Å | Aromatic |
CAE | NAO | sing | 1.33Å | 1.37Å | Aromatic |
CAR | NAO | doub | 1.32Å | 1.33Å | Aromatic |
CAR | CAD | sing | 1.47Å | 1.47Å | |
CAD | NAN | doub | 1.30Å | 1.29Å | |
NAN | OAC | sing | 1.42Å | 1.39Å | |
CAI | H1 | sing | 1.08Å | 1.08Å | |
CAF | H2 | sing | 1.08Å | 1.08Å | |
NAA | H3 | sing | 0.97Å | 1.00Å | |
NAA | H4 | sing | 0.97Å | 1.00Å | |
CAG | H5 | sing | 1.08Å | 1.08Å | |
CAJ | H6 | sing | 1.08Å | 1.08Å | |
CAM | H7 | sing | 1.09Å | 1.10Å | |
CAM | H8 | sing | 1.09Å | 1.10Å | |
CAK | H9 | sing | 1.09Å | 1.10Å | |
CAK | H10 | sing | 1.09Å | 1.10Å | |
CAL | H11 | sing | 1.09Å | 1.10Å | |
CAL | H12 | sing | 1.09Å | 1.10Å | |
CAH | H13 | sing | 1.08Å | 1.08Å | |
CAE | H14 | sing | 1.08Å | 1.08Å | |
CAD | H15 | sing | 1.08Å | 1.08Å | |
OAC | H16 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAB | CAP | NAA | 123.7° | 120.1° |
OAB | CAP | CAQ | 120.4° | 120.0° |
NAA | CAP | CAQ | 115.8° | 120.0° |
CAP | NAA | H3 | 120.0° | 120.0° |
CAP | NAA | H4 | 120.0° | 120.0° |
CAP | CAQ | CAF | 118.4° | 120.9° |
CAP | CAQ | CAG | 123.2° | 120.9° |
CAF | CAQ | CAG | 118.3° | 118.2° |
CAQ | CAF | CAI | 121.0° | 119.0° |
CAQ | CAF | H2 | 119.5° | 120.5° |
CAQ | CAG | CAJ | 118.4° | 119.0° |
CAQ | CAG | H5 | 120.8° | 120.5° |
CAF | CAI | NAT | 119.5° | 120.8° |
CAF | CAI | H1 | 120.3° | 119.5° |
CAI | CAF | H2 | 119.5° | 120.4° |
CAG | CAJ | NAT | 121.6° | 120.9° |
CAJ | CAG | H5 | 120.8° | 120.5° |
CAG | CAJ | H6 | 119.2° | 119.6° |
CAI | NAT | CAJ | 121.2° | 122.1° |
CAI | NAT | CAM | 119.5° | 118.9° |
NAT | CAI | H1 | 120.3° | 119.6° |
CAJ | NAT | CAM | 119.3° | 119.0° |
NAT | CAJ | H6 | 119.2° | 119.5° |
NAT | CAM | CAK | 114.2° | 109.5° |
NAT | CAM | H7 | 108.3° | 109.4° |
NAT | CAM | H8 | 108.3° | 109.5° |
CAM | CAK | CAL | 114.1° | 109.5° |
CAK | CAM | H7 | 108.3° | 109.5° |
CAK | CAM | H8 | 108.2° | 109.5° |
CAM | CAK | H9 | 108.3° | 109.5° |
CAM | CAK | H10 | 108.3° | 109.5° |
CAK | CAL | NAS | 119.0° | 109.5° |
CAL | CAK | H9 | 108.3° | 109.4° |
CAL | CAK | H10 | 108.3° | 109.5° |
CAK | CAL | H11 | 107.0° | 109.5° |
CAK | CAL | H12 | 107.1° | 109.5° |
CAL | NAS | CAH | 129.0° | 126.5° |
CAL | NAS | CAR | 125.1° | 126.5° |
NAS | CAL | H11 | 107.1° | 109.4° |
NAS | CAL | H12 | 107.0° | 109.4° |
NAS | CAH | CAE | 107.6° | 107.1° |
CAH | NAS | CAR | 105.9° | 107.0° |
NAS | CAH | H13 | 126.2° | 126.4° |
CAH | CAE | NAO | 108.9° | 108.4° |
CAE | CAH | H13 | 126.2° | 126.5° |
CAH | CAE | H14 | 125.5° | 125.8° |
NAS | CAR | NAO | 110.5° | 108.3° |
NAS | CAR | CAD | 124.9° | 125.8° |
CAE | NAO | CAR | 107.0° | 109.2° |
NAO | CAE | H14 | 125.5° | 125.8° |
NAO | CAR | CAD | 124.6° | 125.8° |
CAR | CAD | NAN | 120.7° | 120.0° |
CAR | CAD | H15 | 119.6° | 120.0° |
CAD | NAN | OAC | 117.8° | 120.0° |
NAN | CAD | H15 | 119.7° | 120.0° |
NAN | OAC | H16 | 109.5° | 114.0° |
H3 | NAA | H4 | 120.0° | 120.0° |
H7 | CAM | H8 | 109.5° | 109.5° |
H9 | CAK | H10 | 109.4° | 109.5° |
H11 | CAL | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAB | CAP | NAA | CAQ | 179.4° | 179.9° |
OAB | CAP | CAQ | CAF | 112.2° | 0.1° |
OAB | CAP | CAQ | CAG | 68.4° | 179.9° |
OAB | CAP | NAA | H3 | 0.0° | 179.9° |
OAB | CAP | NAA | H4 | 180.0° | 0.0° |
NAA | CAP | CAQ | CAF | 67.2° | 180.0° |
NAA | CAP | CAQ | CAG | 112.2° | 0.0° |
CAP | NAA | H3 | H4 | 180.0° | 180.0° |
CAP | CAQ | CAF | CAG | 179.5° | 180.0° |
CAP | CAQ | CAF | CAI | 179.8° | 180.0° |
CAP | CAQ | CAG | CAJ | 179.6° | 180.0° |
CAP | CAQ | CAF | H2 | 0.2° | 0.0° |
CAQ | CAP | NAA | H3 | 179.4° | 0.0° |
CAQ | CAP | NAA | H4 | 0.7° | 180.0° |
CAP | CAQ | CAG | H5 | 0.4° | 0.0° |
CAQ | CAF | CAI | H2 | 180.0° | 180.0° |
CAF | CAQ | CAG | CAJ | 0.1° | 0.0° |
CAQ | CAF | CAI | NAT | 0.1° | 0.1° |
CAQ | CAF | CAI | H1 | 179.9° | 179.7° |
CAF | CAQ | CAG | H5 | 179.9° | 180.0° |
CAG | CAQ | CAF | CAI | 0.4° | 0.0° |
CAQ | CAG | CAJ | H5 | 180.0° | 180.0° |
CAQ | CAG | CAJ | NAT | 0.3° | 0.1° |
CAG | CAQ | CAF | H2 | 179.7° | 180.0° |
CAQ | CAG | CAJ | H6 | 179.7° | 179.9° |
CAF | CAI | NAT | H1 | 180.0° | 179.8° |
CAF | CAI | NAT | CAJ | 0.3° | 0.1° |
CAF | CAI | NAT | CAM | 179.8° | 179.8° |
CAG | CAJ | NAT | CAI | 0.6° | 0.1° |
CAG | CAJ | NAT | H6 | 180.0° | 179.9° |
CAG | CAJ | NAT | CAM | 180.0° | 179.8° |
CAI | NAT | CAJ | CAM | 179.4° | 179.7° |
CAI | NAT | CAM | CAK | 30.4° | 90.1° |
NAT | CAI | CAF | H2 | 179.9° | 180.0° |
CAI | NAT | CAJ | H6 | 179.4° | 180.0° |
CAI | NAT | CAM | H7 | 151.1° | 150.0° |
CAI | NAT | CAM | H8 | 90.2° | 30.0° |
CAJ | NAT | CAM | CAK | 150.1° | 90.2° |
CAJ | NAT | CAI | H1 | 179.7° | 179.7° |
NAT | CAJ | CAG | H5 | 179.7° | 179.9° |
CAJ | NAT | CAM | H7 | 29.4° | 29.7° |
CAJ | NAT | CAM | H8 | 89.2° | 149.7° |
NAT | CAM | CAK | H7 | 120.7° | 120.0° |
NAT | CAM | CAK | H8 | 120.7° | 120.0° |
NAT | CAM | CAK | CAL | 159.2° | 180.0° |
CAM | NAT | CAI | H1 | 0.3° | 0.0° |
CAM | NAT | CAJ | H6 | 0.0° | 0.4° |
NAT | CAM | H7 | H8 | 117.8° | 120.0° |
NAT | CAM | CAK | H9 | 38.5° | 60.1° |
NAT | CAM | CAK | H10 | 80.1° | 60.0° |
CAM | CAK | CAL | H9 | 120.7° | 119.9° |
CAM | CAK | CAL | H10 | 120.7° | 120.1° |
CAM | CAK | CAL | NAS | 50.8° | 180.0° |
CAK | CAM | H7 | H8 | 117.8° | 120.1° |
CAM | CAK | H9 | H10 | 117.9° | 120.1° |
CAM | CAK | CAL | H11 | 70.5° | 60.0° |
CAM | CAK | CAL | H12 | 172.2° | 60.0° |
CAK | CAL | NAS | H11 | 121.4° | 120.0° |
CAK | CAL | NAS | H12 | 121.4° | 120.0° |
CAK | CAL | NAS | CAH | 4.3° | 94.7° |
CAK | CAL | NAS | CAR | 175.6° | 85.0° |
CAL | CAK | CAM | H7 | 80.1° | 60.0° |
CAL | CAK | CAM | H8 | 38.5° | 60.0° |
CAL | CAK | H9 | H10 | 117.9° | 120.0° |
CAK | CAL | H11 | H12 | 115.7° | 120.0° |
CAL | NAS | CAH | CAR | 179.9° | 179.7° |
CAL | NAS | CAH | CAE | 179.6° | 180.0° |
CAL | NAS | CAR | NAO | 179.7° | 179.8° |
CAL | NAS | CAR | CAD | 0.4° | 0.0° |
NAS | CAL | CAK | H9 | 171.5° | 60.0° |
NAS | CAL | CAK | H10 | 69.9° | 60.0° |
NAS | CAL | H11 | H12 | 115.7° | 119.9° |
CAL | NAS | CAH | H13 | 0.4° | 0.1° |
NAS | CAH | CAE | H13 | 180.0° | 179.9° |
NAS | CAH | CAE | NAO | 0.4° | 0.0° |
CAH | NAS | CAR | NAO | 0.4° | 0.5° |
CAH | NAS | CAR | CAD | 179.7° | 179.7° |
CAH | NAS | CAL | H11 | 117.0° | 145.3° |
CAH | NAS | CAL | H12 | 125.7° | 25.4° |
NAS | CAH | CAE | H14 | 179.6° | 180.0° |
CAE | CAH | NAS | CAR | 0.4° | 0.3° |
CAH | CAE | NAO | H14 | 180.0° | 179.9° |
CAH | CAE | NAO | CAR | 0.2° | 0.3° |
NAS | CAR | NAO | CAE | 0.1° | 0.5° |
NAS | CAR | NAO | CAD | 179.3° | 179.8° |
NAS | CAR | CAD | NAN | 162.6° | 180.0° |
CAR | NAS | CAL | H11 | 63.1° | 35.1° |
CAR | NAS | CAL | H12 | 54.2° | 155.0° |
CAR | NAS | CAH | H13 | 179.6° | 179.8° |
NAS | CAR | CAD | H15 | 17.4° | 0.0° |
CAE | NAO | CAR | CAD | 179.4° | 179.7° |
NAO | CAE | CAH | H13 | 179.6° | 180.0° |
NAO | CAR | CAD | NAN | 16.6° | 0.2° |
CAR | NAO | CAE | H14 | 179.8° | 179.7° |
NAO | CAR | CAD | H15 | 163.4° | 179.8° |
CAR | CAD | NAN | H15 | 180.0° | 180.0° |
CAR | CAD | NAN | OAC | 179.9° | 180.0° |
CAD | NAN | OAC | H16 | 180.0° | 180.0° |
OAC | NAN | CAD | H15 | 0.1° | 0.0° |
H1 | CAI | CAF | H2 | 0.1° | 0.3° |
H5 | CAG | CAJ | H6 | 0.3° | 0.1° |
H7 | CAM | CAK | H9 | 159.2° | 180.0° |
H7 | CAM | CAK | H10 | 40.6° | 60.0° |
H8 | CAM | CAK | H9 | 82.2° | 59.9° |
H8 | CAM | CAK | H10 | 159.2° | 180.0° |
H9 | CAK | CAL | H11 | 50.2° | 180.0° |
H9 | CAK | CAL | H12 | 67.1° | 60.0° |
H10 | CAK | CAL | H11 | 168.8° | 60.0° |
H10 | CAK | CAL | H12 | 51.5° | 180.0° |
H13 | CAH | CAE | H14 | 0.4° | 0.1° |