HLN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | CAB | sing | 1.53Å | 1.50Å | |
CAB | CAC | sing | 1.53Å | 1.50Å | |
CAC | CAD | sing | 1.53Å | 1.50Å | |
CAD | CAE | sing | 1.53Å | 1.51Å | |
CAE | CAF | sing | 1.53Å | 1.51Å | |
CAF | PAG | sing | 1.82Å | 1.86Å | |
CAT | CAS | doub | 1.36Å | 1.40Å | Aromatic |
CAT | CAL | sing | 1.41Å | 1.43Å | Aromatic |
CAS | CAR | sing | 1.40Å | 1.41Å | Aromatic |
OAI | PAG | doub | 1.48Å | 1.54Å | |
PAG | OAJ | sing | 1.61Å | 1.56Å | |
PAG | OAH | sing | 1.61Å | 1.62Å | |
CAM | CAL | doub | 1.40Å | 1.42Å | Aromatic |
CAM | CAN | sing | 1.36Å | 1.40Å | Aromatic |
CAL | CAK | sing | 1.42Å | 1.36Å | Aromatic |
CAR | OAJ | sing | 1.36Å | 1.40Å | |
CAR | CAQ | doub | 1.37Å | 1.40Å | Aromatic |
CAN | CAO | doub | 1.39Å | 1.40Å | Aromatic |
CAK | CAQ | sing | 1.41Å | 1.43Å | Aromatic |
CAK | CAP | doub | 1.41Å | 1.43Å | Aromatic |
CAO | CAP | sing | 1.36Å | 1.40Å | Aromatic |
CAA | H1 | sing | 1.09Å | 1.10Å | |
CAA | H2 | sing | 1.09Å | 1.10Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
CAB | H4 | sing | 1.09Å | 1.10Å | |
CAB | H5 | sing | 1.09Å | 1.10Å | |
CAC | H6 | sing | 1.09Å | 1.10Å | |
CAC | H7 | sing | 1.09Å | 1.10Å | |
CAD | H8 | sing | 1.09Å | 1.10Å | |
CAD | H9 | sing | 1.09Å | 1.10Å | |
CAE | H10 | sing | 1.09Å | 1.10Å | |
CAE | H11 | sing | 1.09Å | 1.10Å | |
CAF | H12 | sing | 1.09Å | 1.10Å | |
CAF | H13 | sing | 1.09Å | 1.10Å | |
OAH | H14 | sing | 0.97Å | 0.95Å | |
CAQ | H15 | sing | 1.08Å | 1.08Å | |
CAP | H16 | sing | 1.08Å | 1.08Å | |
CAO | H17 | sing | 1.08Å | 1.08Å | |
CAN | H18 | sing | 1.08Å | 1.08Å | |
CAM | H19 | sing | 1.08Å | 1.08Å | |
CAT | H20 | sing | 1.08Å | 1.08Å | |
CAS | H21 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | CAB | CAC | 123.8° | 109.5° |
CAB | CAA | H1 | 109.5° | 109.5° |
CAB | CAA | H2 | 109.5° | 109.4° |
CAB | CAA | H3 | 109.5° | 109.5° |
CAA | CAB | H4 | 105.8° | 109.5° |
CAA | CAB | H5 | 105.8° | 109.5° |
CAB | CAC | CAD | 119.0° | 109.5° |
CAC | CAB | H4 | 105.8° | 109.4° |
CAC | CAB | H5 | 105.8° | 109.5° |
CAB | CAC | H6 | 107.0° | 109.4° |
CAB | CAC | H7 | 107.1° | 109.5° |
CAC | CAD | CAE | 117.5° | 109.5° |
CAD | CAC | H6 | 107.1° | 109.5° |
CAD | CAC | H7 | 107.0° | 109.5° |
CAC | CAD | H8 | 107.4° | 109.4° |
CAC | CAD | H9 | 107.4° | 109.5° |
CAD | CAE | CAF | 117.0° | 109.5° |
CAE | CAD | H8 | 107.4° | 109.5° |
CAE | CAD | H9 | 107.4° | 109.5° |
CAD | CAE | H10 | 107.6° | 109.5° |
CAD | CAE | H11 | 107.6° | 109.5° |
CAE | CAF | PAG | 118.1° | 109.5° |
CAF | CAE | H10 | 107.5° | 109.5° |
CAF | CAE | H11 | 107.5° | 109.5° |
CAE | CAF | H12 | 107.2° | 109.5° |
CAE | CAF | H13 | 107.3° | 109.5° |
CAF | PAG | OAI | 107.8° | 109.5° |
CAF | PAG | OAJ | 105.1° | 109.5° |
CAF | PAG | OAH | 113.5° | 109.5° |
PAG | CAF | H12 | 107.3° | 109.5° |
PAG | CAF | H13 | 107.3° | 109.5° |
CAS | CAT | CAL | 120.9° | 119.7° |
CAT | CAS | CAR | 120.3° | 121.0° |
CAS | CAT | H20 | 119.6° | 120.2° |
CAT | CAS | H21 | 119.8° | 119.5° |
CAT | CAL | CAM | 121.6° | 121.2° |
CAT | CAL | CAK | 119.2° | 119.4° |
CAL | CAT | H20 | 119.6° | 120.1° |
CAS | CAR | OAJ | 122.0° | 119.6° |
CAS | CAR | CAQ | 117.9° | 120.9° |
CAR | CAS | H21 | 119.9° | 119.6° |
OAI | PAG | OAJ | 106.7° | 109.4° |
OAI | PAG | OAH | 106.1° | 109.4° |
OAJ | PAG | OAH | 117.1° | 109.5° |
PAG | OAJ | CAR | 125.4° | 114.0° |
PAG | OAH | H14 | 109.5° | 113.9° |
CAL | CAM | CAN | 120.6° | 119.7° |
CAM | CAL | CAK | 119.2° | 119.4° |
CAL | CAM | H19 | 119.7° | 120.2° |
CAM | CAN | CAO | 120.2° | 121.0° |
CAM | CAN | H18 | 119.9° | 119.5° |
CAN | CAM | H19 | 119.7° | 120.1° |
CAL | CAK | CAQ | 119.5° | 119.4° |
CAL | CAK | CAP | 120.5° | 119.3° |
OAJ | CAR | CAQ | 120.0° | 119.5° |
CAR | CAQ | CAK | 122.1° | 119.6° |
CAR | CAQ | H15 | 118.9° | 120.2° |
CAN | CAO | CAP | 119.6° | 121.0° |
CAN | CAO | H17 | 120.2° | 119.5° |
CAO | CAN | H18 | 119.9° | 119.5° |
CAQ | CAK | CAP | 119.9° | 121.3° |
CAK | CAQ | H15 | 118.9° | 120.1° |
CAK | CAP | CAO | 119.9° | 119.7° |
CAK | CAP | H16 | 120.0° | 120.2° |
CAO | CAP | H16 | 120.0° | 120.2° |
CAP | CAO | H17 | 120.2° | 119.5° |
H1 | CAA | H2 | 109.4° | 109.5° |
H1 | CAA | H3 | 109.4° | 109.5° |
H2 | CAA | H3 | 109.5° | 109.5° |
H4 | CAB | H5 | 109.5° | 109.5° |
H6 | CAC | H7 | 109.5° | 109.5° |
H8 | CAD | H9 | 109.4° | 109.5° |
H10 | CAE | H11 | 109.5° | 109.4° |
H12 | CAF | H13 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAA | CAB | CAC | H4 | 122.0° | 120.0° |
CAA | CAB | CAC | H5 | 121.9° | 120.0° |
CAA | CAB | CAC | CAD | 146.3° | 180.0° |
CAB | CAA | H1 | H2 | 120.0° | 119.9° |
CAB | CAA | H1 | H3 | 120.0° | 120.0° |
CAB | CAA | H2 | H3 | 120.0° | 120.0° |
CAA | CAB | H4 | H5 | 113.6° | 120.0° |
CAA | CAB | CAC | H6 | 92.3° | 60.0° |
CAA | CAB | CAC | H7 | 25.0° | 60.0° |
CAB | CAC | CAD | H6 | 121.3° | 119.9° |
CAB | CAC | CAD | H7 | 121.4° | 120.0° |
CAB | CAC | CAD | CAE | 146.1° | 180.0° |
CAC | CAB | CAA | H1 | 180.0° | 180.0° |
CAC | CAB | CAA | H2 | 60.0° | 60.0° |
CAC | CAB | CAA | H3 | 60.0° | 60.0° |
CAC | CAB | H4 | H5 | 113.6° | 120.0° |
CAB | CAC | H6 | H7 | 115.7° | 120.0° |
CAB | CAC | CAD | H8 | 24.9° | 60.0° |
CAB | CAC | CAD | H9 | 92.7° | 60.0° |
CAC | CAD | CAE | H8 | 121.2° | 119.9° |
CAC | CAD | CAE | H9 | 121.2° | 120.0° |
CAC | CAD | CAE | CAF | 99.9° | 180.0° |
CAD | CAC | CAB | H4 | 24.3° | 60.0° |
CAD | CAC | CAB | H5 | 91.8° | 60.0° |
CAD | CAC | H6 | H7 | 115.7° | 120.0° |
CAC | CAD | H8 | H9 | 116.4° | 120.0° |
CAC | CAD | CAE | H10 | 139.0° | 60.0° |
CAC | CAD | CAE | H11 | 21.1° | 60.0° |
CAD | CAE | CAF | H10 | 121.1° | 120.0° |
CAD | CAE | CAF | H11 | 121.1° | 120.0° |
CAD | CAE | CAF | PAG | 137.8° | 180.0° |
CAE | CAD | CAC | H6 | 92.6° | 60.0° |
CAE | CAD | CAC | H7 | 24.7° | 60.0° |
CAE | CAD | H8 | H9 | 116.4° | 120.1° |
CAD | CAE | H10 | H11 | 116.6° | 120.0° |
CAD | CAE | CAF | H12 | 16.6° | 60.0° |
CAD | CAE | CAF | H13 | 100.9° | 60.0° |
CAE | CAF | PAG | H12 | 121.2° | 120.0° |
CAE | CAF | PAG | H13 | 121.2° | 120.0° |
CAE | CAF | PAG | OAI | 131.9° | 55.0° |
CAE | CAF | PAG | OAJ | 18.3° | 175.0° |
CAE | CAF | PAG | OAH | 110.9° | 65.0° |
CAF | CAE | CAD | H8 | 21.2° | 60.0° |
CAF | CAE | CAD | H9 | 138.9° | 60.1° |
CAF | CAE | H10 | H11 | 116.5° | 120.0° |
CAE | CAF | H12 | H13 | 116.1° | 120.0° |
CAF | PAG | OAI | OAJ | 112.5° | 120.0° |
CAF | PAG | OAI | OAH | 121.9° | 120.0° |
CAF | PAG | OAJ | OAH | 127.0° | 120.0° |
CAF | PAG | OAJ | CAR | 118.9° | 175.0° |
PAG | CAF | CAE | H10 | 101.1° | 60.0° |
PAG | CAF | CAE | H11 | 16.7° | 60.0° |
PAG | CAF | H12 | H13 | 116.1° | 120.0° |
CAF | PAG | OAH | H14 | 118.2° | 60.1° |
CAS | CAT | CAL | H20 | 180.0° | 179.5° |
CAT | CAS | CAR | H21 | 180.0° | 179.4° |
CAS | CAT | CAL | CAM | 179.9° | 179.7° |
CAS | CAT | CAL | CAK | 0.2° | 0.2° |
CAT | CAS | CAR | OAJ | 177.9° | 179.7° |
CAT | CAS | CAR | CAQ | 1.0° | 0.6° |
CAL | CAT | CAS | CAR | 0.1° | 0.6° |
CAT | CAL | CAM | CAK | 179.9° | 180.0° |
CAT | CAL | CAM | CAN | 179.1° | 179.9° |
CAT | CAL | CAK | CAQ | 0.3° | 0.1° |
CAT | CAL | CAK | CAP | 179.7° | 180.0° |
CAT | CAL | CAM | H19 | 0.9° | 0.0° |
CAL | CAT | CAS | H21 | 179.9° | 180.0° |
CAS | CAR | OAJ | PAG | 117.2° | 90.3° |
CAS | CAR | OAJ | CAQ | 176.8° | 179.7° |
CAS | CAR | CAQ | CAK | 1.6° | 0.3° |
CAS | CAR | CAQ | H15 | 178.5° | 179.7° |
CAR | CAS | CAT | H20 | 179.8° | 180.0° |
OAI | PAG | OAJ | OAH | 118.6° | 120.0° |
OAI | PAG | OAJ | CAR | 4.5° | 55.0° |
OAI | PAG | CAF | H12 | 10.6° | 175.0° |
OAI | PAG | CAF | H13 | 106.9° | 65.0° |
OAI | PAG | OAH | H14 | 0.0° | 179.9° |
PAG | OAJ | CAR | CAQ | 66.0° | 90.0° |
OAJ | PAG | CAF | H12 | 102.9° | 65.0° |
OAJ | PAG | CAF | H13 | 139.5° | 55.0° |
OAJ | PAG | OAH | H14 | 118.9° | 60.0° |
OAH | PAG | OAJ | CAR | 114.1° | 65.0° |
OAH | PAG | CAF | H12 | 127.9° | 55.0° |
OAH | PAG | CAF | H13 | 10.3° | 175.0° |
CAL | CAM | CAN | H19 | 180.0° | 179.9° |
CAL | CAM | CAN | CAO | 1.4° | 0.0° |
CAM | CAL | CAK | CAQ | 179.6° | 180.0° |
CAM | CAL | CAK | CAP | 0.2° | 0.0° |
CAL | CAM | CAN | H18 | 178.6° | 180.0° |
CAM | CAL | CAT | H20 | 0.1° | 0.3° |
CAN | CAM | CAL | CAK | 0.8° | 0.0° |
CAM | CAN | CAO | H18 | 180.0° | 179.9° |
CAM | CAN | CAO | CAP | 1.5° | 0.0° |
CAM | CAN | CAO | H17 | 178.5° | 180.0° |
CAL | CAK | CAQ | CAR | 1.2° | 0.0° |
CAL | CAK | CAQ | CAP | 179.3° | 180.0° |
CAL | CAK | CAP | CAO | 0.3° | 0.0° |
CAL | CAK | CAQ | H15 | 178.8° | 180.0° |
CAL | CAK | CAP | H16 | 179.7° | 180.0° |
CAK | CAL | CAM | H19 | 179.2° | 180.0° |
CAK | CAL | CAT | H20 | 179.8° | 179.7° |
OAJ | CAR | CAQ | CAK | 178.5° | 180.0° |
OAJ | CAR | CAQ | H15 | 1.5° | 0.0° |
OAJ | CAR | CAS | H21 | 2.1° | 0.3° |
CAR | CAQ | CAK | H15 | 180.0° | 180.0° |
CAR | CAQ | CAK | CAP | 179.4° | 180.0° |
CAQ | CAR | CAS | H21 | 179.0° | 180.0° |
CAN | CAO | CAP | CAK | 0.9° | 0.0° |
CAN | CAO | CAP | H17 | 180.0° | 180.0° |
CAN | CAO | CAP | H16 | 179.1° | 180.0° |
CAO | CAN | CAM | H19 | 178.5° | 180.0° |
CAQ | CAK | CAP | CAO | 179.6° | 180.0° |
CAQ | CAK | CAP | H16 | 0.4° | 0.0° |
CAK | CAP | CAO | H16 | 180.0° | 180.0° |
CAP | CAK | CAQ | H15 | 0.6° | 0.0° |
CAK | CAP | CAO | H17 | 179.0° | 180.0° |
CAP | CAO | CAN | H18 | 178.5° | 179.9° |
H1 | CAA | H2 | H3 | 119.9° | 120.1° |
H1 | CAA | CAB | H4 | 58.1° | 60.0° |
H1 | CAA | CAB | H5 | 58.0° | 60.0° |
H2 | CAA | CAB | H4 | 61.9° | 59.9° |
H2 | CAA | CAB | H5 | 178.0° | 180.0° |
H3 | CAA | CAB | H4 | 178.0° | 180.0° |
H3 | CAA | CAB | H5 | 61.9° | 60.0° |
H4 | CAB | CAC | H6 | 145.7° | 180.0° |
H4 | CAB | CAC | H7 | 97.0° | 60.0° |
H5 | CAB | CAC | H6 | 29.6° | 60.0° |
H5 | CAB | CAC | H7 | 146.9° | 180.0° |
H6 | CAC | CAD | H8 | 146.3° | 180.0° |
H6 | CAC | CAD | H9 | 28.6° | 59.9° |
H7 | CAC | CAD | H8 | 96.4° | 60.0° |
H7 | CAC | CAD | H9 | 145.9° | 180.0° |
H8 | CAD | CAE | H10 | 99.9° | 180.0° |
H8 | CAD | CAE | H11 | 142.3° | 60.0° |
H9 | CAD | CAE | H10 | 17.8° | 60.0° |
H9 | CAD | CAE | H11 | 100.0° | 180.0° |
H10 | CAE | CAF | H12 | 137.7° | 180.0° |
H10 | CAE | CAF | H13 | 20.2° | 60.1° |
H11 | CAE | CAF | H12 | 104.5° | 60.0° |
H11 | CAE | CAF | H13 | 138.0° | 180.0° |
H16 | CAP | CAO | H17 | 0.9° | 0.0° |
H17 | CAO | CAN | H18 | 1.5° | 0.0° |
H18 | CAN | CAM | H19 | 1.4° | 0.1° |
H20 | CAT | CAS | H21 | 0.2° | 0.6° |