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° |
