65N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | NAX | sing | 1.46Å | 1.47Å | |
CAJ | CAH | doub | 1.38Å | 1.40Å | Aromatic |
CAJ | CAT | sing | 1.39Å | 1.43Å | Aromatic |
CAH | CAS | sing | 1.39Å | 1.31Å | Aromatic |
OAP | CAS | sing | 1.36Å | 1.42Å | |
OAP | CAY | sing | 1.43Å | 1.38Å | |
CAS | CAG | doub | 1.39Å | 1.36Å | Aromatic |
CAT | NAX | sing | 1.40Å | 1.42Å | |
CAT | CAI | doub | 1.39Å | 1.43Å | Aromatic |
NAX | CAU | sing | 1.39Å | 1.36Å | |
CAG | CAI | sing | 1.38Å | 1.38Å | Aromatic |
FAD | CAY | sing | 1.40Å | 1.36Å | |
CAY | FAF | sing | 1.40Å | 1.37Å | |
CAY | FAE | sing | 1.40Å | 1.36Å | |
CAU | NAO | doub | 1.32Å | 1.33Å | Aromatic |
CAU | CAK | sing | 1.40Å | 1.38Å | Aromatic |
NAO | C5 | sing | 1.33Å | 1.37Å | Aromatic |
NAC | C6 | sing | 1.38Å | 1.30Å | |
CAK | CAL | doub | 1.36Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.42Å | 1.44Å | Aromatic |
C5 | C4 | doub | 1.41Å | 1.37Å | Aromatic |
C6 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
CAL | C4 | sing | 1.41Å | 1.39Å | Aromatic |
C4 | N3 | sing | 1.34Å | 1.34Å | Aromatic |
N1 | C2 | sing | 1.33Å | 1.32Å | Aromatic |
N3 | C2 | doub | 1.32Å | 1.37Å | Aromatic |
C2 | NAB | sing | 1.38Å | 1.31Å | |
CAH | H1 | sing | 1.08Å | 1.08Å | |
CAJ | H2 | sing | 1.08Å | 1.08Å | |
CAG | H3 | sing | 1.08Å | 1.08Å | |
CAI | H4 | sing | 1.08Å | 1.08Å | |
CAA | H5 | sing | 1.09Å | 1.10Å | |
CAA | H6 | sing | 1.09Å | 1.10Å | |
CAA | H7 | sing | 1.09Å | 1.10Å | |
NAC | H8 | sing | 0.97Å | 1.00Å | |
NAC | H9 | sing | 0.97Å | 1.00Å | |
NAB | H10 | sing | 0.97Å | 1.00Å | |
NAB | H11 | sing | 0.97Å | 1.00Å | |
CAL | H12 | sing | 1.08Å | 1.08Å | |
CAK | H13 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | NAX | CAT | 126.5° | 120.0° |
CAA | NAX | CAU | 109.9° | 120.0° |
NAX | CAA | H5 | 109.5° | 109.5° |
NAX | CAA | H6 | 109.5° | 109.5° |
NAX | CAA | H7 | 109.5° | 109.4° |
CAH | CAJ | CAT | 122.7° | 120.0° |
CAJ | CAH | CAS | 122.2° | 120.0° |
CAJ | CAH | H1 | 118.9° | 120.0° |
CAH | CAJ | H2 | 118.7° | 120.0° |
CAJ | CAT | NAX | 115.8° | 120.0° |
CAJ | CAT | CAI | 113.0° | 120.0° |
CAT | CAJ | H2 | 118.6° | 120.0° |
CAH | CAS | OAP | 119.9° | 120.0° |
CAH | CAS | CAG | 117.4° | 120.0° |
CAS | CAH | H1 | 118.9° | 120.0° |
CAS | OAP | CAY | 117.7° | 117.0° |
OAP | CAS | CAG | 122.3° | 120.0° |
OAP | CAY | FAD | 109.1° | 109.5° |
OAP | CAY | FAF | 107.3° | 109.5° |
OAP | CAY | FAE | 106.0° | 109.5° |
CAS | CAG | CAI | 124.7° | 120.0° |
CAS | CAG | H3 | 117.7° | 120.0° |
NAX | CAT | CAI | 130.4° | 120.0° |
CAT | NAX | CAU | 116.3° | 120.0° |
CAT | CAI | CAG | 119.7° | 120.0° |
CAT | CAI | H4 | 120.1° | 120.0° |
NAX | CAU | NAO | 119.6° | 119.3° |
NAX | CAU | CAK | 118.4° | 119.3° |
CAI | CAG | H3 | 117.7° | 120.0° |
CAG | CAI | H4 | 120.1° | 120.0° |
FAD | CAY | FAF | 110.7° | 109.5° |
FAD | CAY | FAE | 107.9° | 109.4° |
FAF | CAY | FAE | 115.6° | 109.5° |
NAO | CAU | CAK | 122.0° | 121.5° |
CAU | NAO | C5 | 118.6° | 121.1° |
CAU | CAK | CAL | 121.5° | 119.9° |
CAU | CAK | H13 | 119.3° | 120.0° |
NAO | C5 | C6 | 120.2° | 121.7° |
NAO | C5 | C4 | 120.0° | 120.3° |
NAC | C6 | C5 | 120.1° | 120.8° |
NAC | C6 | N1 | 122.8° | 120.8° |
C6 | NAC | H8 | 109.5° | 120.0° |
C6 | NAC | H9 | 109.4° | 120.0° |
CAK | CAL | C4 | 114.9° | 118.3° |
CAK | CAL | H12 | 122.5° | 120.9° |
CAL | CAK | H13 | 119.3° | 120.1° |
C6 | C5 | C4 | 119.2° | 118.0° |
C5 | C6 | N1 | 117.1° | 118.4° |
C5 | C4 | CAL | 122.7° | 119.0° |
C5 | C4 | N3 | 120.3° | 119.1° |
C6 | N1 | C2 | 121.7° | 121.4° |
CAL | C4 | N3 | 116.9° | 121.9° |
C4 | CAL | H12 | 122.5° | 120.9° |
C4 | N3 | C2 | 120.2° | 120.4° |
N1 | C2 | N3 | 121.2° | 122.7° |
N1 | C2 | NAB | 120.0° | 118.6° |
N3 | C2 | NAB | 118.7° | 118.7° |
C2 | NAB | H10 | 109.5° | 120.1° |
C2 | NAB | H11 | 109.4° | 119.9° |
H5 | CAA | H6 | 109.5° | 109.5° |
H5 | CAA | H7 | 109.4° | 109.4° |
H6 | CAA | H7 | 109.5° | 109.5° |
H8 | NAC | H9 | 109.5° | 120.0° |
H10 | NAB | H11 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAA | NAX | CAT | CAJ | 29.2° | 5.5° |
CAA | NAX | CAT | CAU | 146.8° | 180.0° |
CAA | NAX | CAT | CAI | 161.3° | 174.7° |
CAA | NAX | CAU | NAO | 73.8° | 85.4° |
CAA | NAX | CAU | CAK | 104.4° | 94.9° |
NAX | CAA | H5 | H6 | 120.0° | 120.0° |
NAX | CAA | H5 | H7 | 120.0° | 119.9° |
NAX | CAA | H6 | H7 | 120.0° | 119.9° |
CAH | CAJ | CAT | H2 | 180.0° | 180.0° |
CAJ | CAH | CAS | H1 | 180.0° | 179.9° |
CAJ | CAH | CAS | OAP | 175.2° | 180.0° |
CAJ | CAH | CAS | CAG | 2.3° | 0.3° |
CAH | CAJ | CAT | NAX | 171.0° | 180.0° |
CAH | CAJ | CAT | CAI | 0.3° | 0.2° |
CAT | CAJ | CAH | CAS | 0.4° | 0.1° |
CAJ | CAT | NAX | CAI | 169.4° | 179.8° |
CAJ | CAT | NAX | CAU | 117.6° | 174.5° |
CAJ | CAT | CAI | CAG | 2.7° | 0.2° |
CAT | CAJ | CAH | H1 | 179.5° | 180.0° |
CAJ | CAT | CAI | H4 | 177.3° | 179.8° |
CAH | CAS | OAP | CAG | 172.5° | 179.7° |
CAH | CAS | OAP | CAY | 142.7° | 0.3° |
CAH | CAS | CAG | CAI | 5.7° | 0.3° |
CAS | CAH | CAJ | H2 | 179.6° | 180.0° |
CAH | CAS | CAG | H3 | 174.3° | 179.7° |
OAP | CAS | CAG | CAI | 178.3° | 180.0° |
CAS | OAP | CAY | FAD | 176.5° | 60.0° |
CAS | OAP | CAY | FAF | 56.5° | 180.0° |
CAS | OAP | CAY | FAE | 67.6° | 60.0° |
OAP | CAS | CAH | H1 | 4.8° | 0.1° |
OAP | CAS | CAG | H3 | 1.7° | 0.0° |
CAY | OAP | CAS | CAG | 44.8° | 180.0° |
OAP | CAY | FAD | FAF | 117.9° | 120.0° |
OAP | CAY | FAD | FAE | 114.7° | 120.0° |
OAP | CAY | FAF | FAE | 118.0° | 120.0° |
CAS | CAG | CAI | CAT | 5.9° | 0.0° |
CAS | CAG | CAI | H3 | 180.0° | 180.0° |
CAG | CAS | CAH | H1 | 177.7° | 179.8° |
CAS | CAG | CAI | H4 | 174.0° | 179.9° |
NAX | CAT | CAI | CAG | 172.4° | 180.0° |
CAT | NAX | CAU | NAO | 134.1° | 94.6° |
CAT | NAX | CAU | CAK | 47.7° | 85.1° |
NAX | CAT | CAJ | H2 | 9.0° | 0.0° |
NAX | CAT | CAI | H4 | 7.6° | 0.0° |
CAT | NAX | CAA | H5 | 180.0° | 89.9° |
CAT | NAX | CAA | H6 | 60.0° | 150.0° |
CAT | NAX | CAA | H7 | 60.0° | 30.0° |
CAI | CAT | NAX | CAU | 51.8° | 5.3° |
CAT | CAI | CAG | H4 | 180.0° | 180.0° |
CAI | CAT | CAJ | H2 | 179.7° | 179.7° |
CAT | CAI | CAG | H3 | 174.0° | 180.0° |
NAX | CAU | NAO | CAK | 178.1° | 179.7° |
NAX | CAU | NAO | C5 | 177.9° | 179.9° |
NAX | CAU | CAK | CAL | 179.0° | 179.9° |
CAU | NAX | CAA | H5 | 31.4° | 90.0° |
CAU | NAX | CAA | H6 | 88.6° | 30.0° |
CAU | NAX | CAA | H7 | 151.4° | 150.0° |
NAX | CAU | CAK | H13 | 1.0° | 0.3° |
FAD | CAY | FAF | FAE | 123.1° | 120.0° |
NAO | CAU | CAK | CAL | 2.9° | 0.4° |
CAU | NAO | C5 | C6 | 175.8° | 179.9° |
CAU | NAO | C5 | C4 | 4.7° | 0.0° |
NAO | CAU | CAK | H13 | 177.1° | 180.0° |
CAK | CAU | NAO | C5 | 0.2° | 0.4° |
CAU | CAK | CAL | H13 | 180.0° | 179.6° |
CAU | CAK | CAL | C4 | 1.4° | 0.1° |
CAU | CAK | CAL | H12 | 178.7° | 180.0° |
NAO | C5 | C6 | NAC | 8.7° | 0.1° |
NAO | C5 | C6 | C4 | 171.2° | 180.0° |
NAO | C5 | C6 | N1 | 174.2° | 180.0° |
NAO | C5 | C4 | CAL | 6.4° | 0.3° |
NAO | C5 | C4 | N3 | 175.1° | 180.0° |
NAC | C6 | C5 | N1 | 177.1° | 179.9° |
NAC | C6 | C5 | C4 | 179.9° | 179.9° |
NAC | C6 | N1 | C2 | 179.8° | 179.9° |
C6 | NAC | H8 | H9 | 120.0° | 179.9° |
CAK | CAL | C4 | C5 | 3.2° | 0.2° |
CAK | CAL | C4 | H12 | 180.0° | 179.9° |
CAK | CAL | C4 | N3 | 178.2° | 179.9° |
C6 | C5 | C4 | CAL | 177.6° | 179.8° |
C6 | C5 | C4 | N3 | 3.9° | 0.0° |
C5 | C6 | N1 | C2 | 3.2° | 0.1° |
C5 | C6 | NAC | H8 | 176.9° | 0.1° |
C5 | C6 | NAC | H9 | 56.9° | 180.0° |
C4 | C5 | C6 | N1 | 3.0° | 0.1° |
C5 | C4 | CAL | N3 | 178.6° | 179.7° |
C5 | C4 | N3 | C2 | 4.8° | 0.0° |
C5 | C4 | CAL | H12 | 176.8° | 179.7° |
C6 | N1 | C2 | N3 | 4.3° | 0.0° |
C6 | N1 | C2 | NAB | 178.9° | 180.0° |
N1 | C6 | NAC | H8 | 0.0° | 180.0° |
N1 | C6 | NAC | H9 | 120.0° | 0.1° |
CAL | C4 | N3 | C2 | 176.6° | 179.7° |
C4 | CAL | CAK | H13 | 178.7° | 179.7° |
C4 | N3 | C2 | N1 | 5.0° | 0.0° |
C4 | N3 | C2 | NAB | 178.2° | 180.0° |
N3 | C4 | CAL | H12 | 1.8° | 0.0° |
N1 | C2 | N3 | NAB | 176.8° | 180.0° |
N1 | C2 | NAB | H10 | 0.0° | 0.1° |
N1 | C2 | NAB | H11 | 120.0° | 180.0° |
N3 | C2 | NAB | H10 | 176.8° | 180.0° |
N3 | C2 | NAB | H11 | 63.2° | 0.1° |
C2 | NAB | H10 | H11 | 120.0° | 179.9° |
H1 | CAH | CAJ | H2 | 0.5° | 0.1° |
H3 | CAG | CAI | H4 | 6.0° | 0.0° |
H5 | CAA | H6 | H7 | 120.0° | 120.0° |
H12 | CAL | CAK | H13 | 1.3° | 0.4° |