7LH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAH | CAG | sing | 1.43Å | 1.43Å | |
| OAJ | CAI | sing | 1.43Å | 1.41Å | |
| CAI | CAG | sing | 1.53Å | 1.52Å | |
| CAI | CAK | sing | 1.53Å | 1.54Å | |
| CAG | CAF | sing | 1.53Å | 1.54Å | |
| CAF | CAD | sing | 1.53Å | 1.55Å | |
| CAK | OAL | sing | 1.45Å | 1.42Å | |
| CAK | CAY | sing | 1.53Å | 1.55Å | |
| OAL | CAM | sing | 1.34Å | 1.37Å | |
| CAY | CAD | sing | 1.53Å | 1.51Å | |
| CAD | OAE | sing | 1.43Å | 1.40Å | |
| CAD | CAB | sing | 1.51Å | 1.52Å | |
| CAM | CAO | sing | 1.51Å | 1.51Å | |
| CAM | OAN | doub | 1.21Å | 1.20Å | |
| OAC | CAB | doub | 1.21Å | 1.35Å | |
| CAO | CAP | sing | 1.53Å | 1.50Å | |
| CAB | OAA | sing | 1.34Å | 1.36Å | |
| OAW | CAV | sing | 1.36Å | 1.40Å | |
| CAX | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAX | CAQ | sing | 1.38Å | 1.41Å | Aromatic |
| CAP | CAQ | sing | 1.51Å | 1.52Å | |
| CAV | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | OAU | sing | 1.36Å | 1.40Å | |
| CAT | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAS | sing | 1.38Å | 1.38Å | Aromatic |
| CAX | H1 | sing | 1.08Å | 1.08Å | |
| OAW | H2 | sing | 0.97Å | 0.95Å | |
| OAU | H3 | sing | 0.97Å | 0.95Å | |
| CAS | H4 | sing | 1.08Å | 1.08Å | |
| CAR | H5 | sing | 1.08Å | 1.08Å | |
| CAP | H6 | sing | 1.09Å | 1.10Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAY | H11 | sing | 1.09Å | 1.10Å | |
| CAY | H12 | sing | 1.09Å | 1.10Å | |
| OAA | H13 | sing | 0.97Å | 0.95Å | |
| OAE | H14 | sing | 0.97Å | 0.95Å | |
| CAF | H15 | sing | 1.09Å | 1.10Å | |
| CAF | H16 | sing | 1.09Å | 1.10Å | |
| CAG | H17 | sing | 1.09Å | 1.10Å | |
| OAH | H18 | sing | 0.97Å | 0.95Å | |
| CAI | H19 | sing | 1.09Å | 1.10Å | |
| OAJ | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAH | CAG | CAI | 106.8° | 109.5° |
| OAH | CAG | CAF | 110.9° | 109.5° |
| OAH | CAG | H17 | 110.4° | 109.5° |
| CAG | OAH | H18 | 109.5° | 114.0° |
| OAJ | CAI | CAG | 107.8° | 109.5° |
| OAJ | CAI | CAK | 107.9° | 109.5° |
| OAJ | CAI | H19 | 110.5° | 109.5° |
| CAI | OAJ | H20 | 109.5° | 114.0° |
| CAG | CAI | CAK | 113.1° | 109.5° |
| CAI | CAG | CAF | 110.5° | 109.5° |
| CAI | CAG | H17 | 109.3° | 109.4° |
| CAG | CAI | H19 | 108.9° | 109.5° |
| CAI | CAK | OAL | 105.1° | 109.5° |
| CAI | CAK | CAY | 109.1° | 109.5° |
| CAI | CAK | H10 | 110.6° | 109.5° |
| CAK | CAI | H19 | 108.7° | 109.4° |
| CAG | CAF | CAD | 107.1° | 109.5° |
| CAG | CAF | H15 | 110.0° | 109.5° |
| CAG | CAF | H16 | 110.1° | 109.4° |
| CAF | CAG | H17 | 108.9° | 109.5° |
| CAF | CAD | CAY | 111.8° | 109.4° |
| CAF | CAD | OAE | 111.6° | 109.4° |
| CAF | CAD | CAB | 109.0° | 109.5° |
| CAD | CAF | H15 | 110.1° | 109.5° |
| CAD | CAF | H16 | 110.1° | 109.5° |
| OAL | CAK | CAY | 108.9° | 109.5° |
| CAK | OAL | CAM | 118.1° | 117.0° |
| OAL | CAK | H10 | 112.5° | 109.4° |
| CAK | CAY | CAD | 113.0° | 109.5° |
| CAY | CAK | H10 | 110.5° | 109.5° |
| CAK | CAY | H11 | 108.6° | 109.4° |
| CAK | CAY | H12 | 108.6° | 109.5° |
| OAL | CAM | CAO | 113.7° | 120.0° |
| OAL | CAM | OAN | 119.2° | 120.0° |
| CAY | CAD | OAE | 109.5° | 109.5° |
| CAY | CAD | CAB | 107.4° | 109.5° |
| CAD | CAY | H11 | 108.6° | 109.5° |
| CAD | CAY | H12 | 108.6° | 109.5° |
| OAE | CAD | CAB | 107.4° | 109.5° |
| CAD | OAE | H14 | 109.5° | 114.0° |
| CAD | CAB | OAC | 119.0° | 120.0° |
| CAD | CAB | OAA | 118.6° | 119.9° |
| CAO | CAM | OAN | 127.1° | 120.0° |
| CAM | CAO | CAP | 113.3° | 109.5° |
| CAM | CAO | H8 | 108.5° | 109.5° |
| CAM | CAO | H9 | 108.5° | 109.5° |
| OAC | CAB | OAA | 122.2° | 120.0° |
| CAO | CAP | CAQ | 113.5° | 109.5° |
| CAO | CAP | H6 | 108.5° | 109.5° |
| CAO | CAP | H7 | 108.5° | 109.4° |
| CAP | CAO | H8 | 108.5° | 109.5° |
| CAP | CAO | H9 | 108.5° | 109.4° |
| CAB | OAA | H13 | 109.5° | 117.0° |
| OAW | CAV | CAX | 120.4° | 120.0° |
| OAW | CAV | CAT | 119.1° | 120.1° |
| CAV | OAW | H2 | 109.5° | 114.0° |
| CAV | CAX | CAQ | 119.1° | 120.0° |
| CAX | CAV | CAT | 120.3° | 119.8° |
| CAV | CAX | H1 | 120.5° | 120.0° |
| CAX | CAQ | CAP | 125.0° | 119.9° |
| CAX | CAQ | CAR | 120.1° | 120.1° |
| CAQ | CAX | H1 | 120.5° | 120.0° |
| CAP | CAQ | CAR | 114.9° | 119.9° |
| CAQ | CAP | H6 | 108.4° | 109.5° |
| CAQ | CAP | H7 | 108.5° | 109.5° |
| CAV | CAT | OAU | 119.8° | 120.1° |
| CAV | CAT | CAS | 120.4° | 119.9° |
| CAQ | CAR | CAS | 120.1° | 120.1° |
| CAQ | CAR | H5 | 120.0° | 119.9° |
| OAU | CAT | CAS | 119.8° | 120.1° |
| CAT | OAU | H3 | 109.5° | 114.0° |
| CAT | CAS | CAR | 120.0° | 120.0° |
| CAT | CAS | H4 | 120.0° | 120.0° |
| CAR | CAS | H4 | 120.0° | 119.9° |
| CAS | CAR | H5 | 119.9° | 120.0° |
| H6 | CAP | H7 | 109.5° | 109.5° |
| H8 | CAO | H9 | 109.5° | 109.5° |
| H11 | CAY | H12 | 109.5° | 109.4° |
| H15 | CAF | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAH | CAG | CAI | OAJ | 60.6° | 60.0° |
| OAH | CAG | CAI | CAF | 120.7° | 120.0° |
| OAH | CAG | CAI | H17 | 119.5° | 120.0° |
| OAH | CAG | CAI | CAK | 179.8° | 180.0° |
| OAH | CAG | CAF | H17 | 121.8° | 120.0° |
| OAH | CAG | CAF | CAD | 178.4° | 180.0° |
| OAH | CAG | CAF | H15 | 58.7° | 59.9° |
| OAH | CAG | CAF | H16 | 62.0° | 60.0° |
| OAH | CAG | CAI | H19 | 59.3° | 60.0° |
| OAJ | CAI | CAG | CAK | 119.2° | 120.0° |
| OAJ | CAI | CAG | H19 | 119.9° | 120.0° |
| OAJ | CAI | CAK | H19 | 119.8° | 119.9° |
| OAJ | CAI | CAG | CAF | 178.7° | 180.0° |
| OAJ | CAI | CAK | OAL | 55.2° | 60.0° |
| OAJ | CAI | CAK | CAY | 171.8° | 180.0° |
| OAJ | CAI | CAK | H10 | 66.5° | 59.9° |
| OAJ | CAI | CAG | H17 | 58.8° | 60.0° |
| CAG | CAI | CAK | H19 | 121.1° | 120.0° |
| CAI | CAG | CAF | H17 | 120.0° | 120.0° |
| CAI | CAG | CAF | CAD | 60.1° | 60.0° |
| CAG | CAI | CAK | OAL | 63.9° | 60.0° |
| CAG | CAI | CAK | CAY | 52.7° | 60.0° |
| CAG | CAI | CAK | H10 | 174.4° | 180.0° |
| CAI | CAG | CAF | H15 | 59.5° | 180.0° |
| CAI | CAG | CAF | H16 | 179.8° | 60.1° |
| CAI | CAG | OAH | H18 | 180.0° | 180.0° |
| CAG | CAI | OAJ | H20 | 180.0° | 59.9° |
| CAK | CAI | CAG | CAF | 59.5° | 60.0° |
| CAI | CAK | OAL | CAY | 116.7° | 120.0° |
| CAI | CAK | OAL | H10 | 120.4° | 120.0° |
| CAI | CAK | CAY | H10 | 121.8° | 120.0° |
| CAI | CAK | OAL | CAM | 174.3° | 90.0° |
| CAI | CAK | CAY | CAD | 51.1° | 60.0° |
| CAI | CAK | CAY | H11 | 171.6° | 180.0° |
| CAI | CAK | CAY | H12 | 69.5° | 60.0° |
| CAK | CAI | CAG | H17 | 60.3° | 60.0° |
| CAK | CAI | OAJ | H20 | 57.6° | 180.0° |
| CAG | CAF | CAD | H15 | 119.6° | 120.1° |
| CAG | CAF | CAD | H16 | 119.6° | 120.0° |
| CAG | CAF | CAD | CAY | 59.4° | 59.9° |
| CAG | CAF | CAD | OAE | 63.6° | 60.0° |
| CAG | CAF | CAD | CAB | 178.0° | 180.0° |
| CAG | CAF | H15 | H16 | 121.1° | 119.9° |
| CAF | CAG | OAH | H18 | 59.6° | 60.0° |
| CAF | CAG | CAI | H19 | 61.4° | 60.0° |
| CAF | CAD | CAY | CAK | 56.6° | 60.0° |
| CAF | CAD | CAY | OAE | 124.2° | 119.9° |
| CAF | CAD | CAY | CAB | 119.5° | 120.0° |
| CAF | CAD | OAE | CAB | 119.4° | 120.0° |
| CAF | CAD | CAB | OAC | 71.6° | 95.0° |
| CAF | CAD | CAB | OAA | 104.3° | 85.0° |
| CAF | CAD | CAY | H11 | 177.1° | 180.0° |
| CAF | CAD | CAY | H12 | 63.9° | 60.1° |
| CAF | CAD | OAE | H14 | 180.0° | 60.1° |
| CAD | CAF | H15 | H16 | 121.1° | 120.0° |
| CAD | CAF | CAG | H17 | 59.9° | 60.0° |
| OAL | CAK | CAY | H10 | 124.1° | 120.0° |
| OAL | CAK | CAY | CAD | 63.1° | 60.0° |
| CAK | OAL | CAM | CAO | 174.5° | 180.0° |
| CAK | OAL | CAM | OAN | 3.4° | 0.1° |
| OAL | CAK | CAY | H11 | 57.5° | 60.0° |
| OAL | CAK | CAY | H12 | 176.4° | 179.9° |
| OAL | CAK | CAI | H19 | 175.0° | 180.0° |
| CAY | CAK | OAL | CAM | 69.0° | 150.0° |
| CAK | CAY | CAD | H11 | 120.5° | 120.0° |
| CAK | CAY | CAD | H12 | 120.5° | 120.1° |
| CAK | CAY | CAD | OAE | 67.6° | 59.9° |
| CAK | CAY | CAD | CAB | 176.1° | 180.0° |
| CAK | CAY | H11 | H12 | 118.4° | 120.0° |
| CAY | CAK | CAI | H19 | 68.4° | 60.0° |
| OAL | CAM | CAO | OAN | 177.7° | 179.9° |
| OAL | CAM | CAO | CAP | 172.2° | 180.0° |
| OAL | CAM | CAO | H8 | 51.6° | 60.0° |
| OAL | CAM | CAO | H9 | 67.2° | 60.0° |
| CAM | OAL | CAK | H10 | 53.9° | 30.0° |
| CAY | CAD | OAE | CAB | 116.3° | 120.0° |
| CAY | CAD | CAB | OAC | 49.7° | 25.0° |
| CAY | CAD | CAB | OAA | 134.3° | 155.0° |
| CAD | CAY | CAK | H10 | 172.9° | 180.0° |
| CAD | CAY | H11 | H12 | 118.4° | 120.0° |
| CAY | CAD | OAE | H14 | 55.7° | 180.0° |
| CAY | CAD | CAF | H15 | 60.2° | 180.0° |
| CAY | CAD | CAF | H16 | 179.0° | 60.1° |
| OAE | CAD | CAB | OAC | 167.3° | 145.0° |
| OAE | CAD | CAB | OAA | 16.7° | 35.0° |
| OAE | CAD | CAY | H11 | 52.9° | 60.0° |
| OAE | CAD | CAY | H12 | 171.9° | 180.0° |
| OAE | CAD | CAF | H15 | 176.8° | 60.1° |
| OAE | CAD | CAF | H16 | 56.0° | 180.0° |
| CAD | CAB | OAC | OAA | 175.8° | 180.0° |
| CAB | CAD | CAY | H11 | 63.3° | 60.0° |
| CAB | CAD | CAY | H12 | 55.6° | 59.9° |
| CAD | CAB | OAA | H13 | 175.9° | 180.0° |
| CAB | CAD | OAE | H14 | 60.6° | 59.9° |
| CAB | CAD | CAF | H15 | 58.4° | 60.0° |
| CAB | CAD | CAF | H16 | 62.4° | 60.0° |
| CAM | CAO | CAP | H8 | 120.6° | 120.0° |
| CAM | CAO | CAP | H9 | 120.6° | 120.0° |
| CAM | CAO | CAP | CAQ | 175.1° | 180.0° |
| CAM | CAO | CAP | H6 | 54.5° | 60.0° |
| CAM | CAO | CAP | H7 | 64.3° | 60.0° |
| CAM | CAO | H8 | H9 | 118.2° | 120.0° |
| OAN | CAM | CAO | CAP | 5.4° | 0.0° |
| OAN | CAM | CAO | H8 | 126.0° | 120.0° |
| OAN | CAM | CAO | H9 | 115.1° | 120.0° |
| OAC | CAB | OAA | H13 | 0.0° | 0.1° |
| CAO | CAP | CAQ | CAX | 2.1° | 90.0° |
| CAO | CAP | CAQ | H6 | 120.6° | 120.0° |
| CAO | CAP | CAQ | H7 | 120.6° | 120.0° |
| CAO | CAP | CAQ | CAR | 176.0° | 90.0° |
| CAO | CAP | H6 | H7 | 118.2° | 120.0° |
| CAP | CAO | H8 | H9 | 118.2° | 120.0° |
| OAW | CAV | CAX | CAT | 175.5° | 179.9° |
| OAW | CAV | CAX | CAQ | 177.8° | 180.0° |
| OAW | CAV | CAT | OAU | 2.0° | 0.1° |
| OAW | CAV | CAT | CAS | 177.6° | 180.0° |
| OAW | CAV | CAX | H1 | 2.3° | 0.2° |
| CAV | CAX | CAQ | H1 | 180.0° | 179.8° |
| CAV | CAX | CAQ | CAP | 177.0° | 180.0° |
| CAV | CAX | CAQ | CAR | 1.0° | 0.0° |
| CAX | CAV | CAT | OAU | 177.6° | 180.0° |
| CAX | CAV | CAT | CAS | 2.0° | 0.0° |
| CAX | CAV | OAW | H2 | 180.0° | 90.0° |
| CAX | CAQ | CAP | CAR | 178.1° | 180.0° |
| CAQ | CAX | CAV | CAT | 2.3° | 0.0° |
| CAX | CAQ | CAR | CAS | 0.5° | 0.0° |
| CAX | CAQ | CAR | H5 | 179.5° | 180.0° |
| CAX | CAQ | CAP | H6 | 122.7° | 150.0° |
| CAX | CAQ | CAP | H7 | 118.5° | 29.9° |
| CAP | CAQ | CAR | CAS | 178.7° | 180.0° |
| CAP | CAQ | CAX | H1 | 3.0° | 0.2° |
| CAP | CAQ | CAR | H5 | 1.3° | 0.0° |
| CAQ | CAP | H6 | H7 | 118.1° | 120.0° |
| CAQ | CAP | CAO | H8 | 64.3° | 60.0° |
| CAQ | CAP | CAO | H9 | 54.6° | 60.0° |
| CAV | CAT | OAU | CAS | 179.6° | 180.0° |
| CAV | CAT | CAS | CAR | 0.5° | 0.0° |
| CAT | CAV | CAX | H1 | 177.7° | 179.7° |
| CAT | CAV | OAW | H2 | 4.4° | 89.9° |
| CAV | CAT | OAU | H3 | 180.0° | 90.0° |
| CAV | CAT | CAS | H4 | 179.5° | 180.0° |
| CAQ | CAR | CAS | CAT | 0.7° | 0.0° |
| CAQ | CAR | CAS | H5 | 180.0° | 180.0° |
| CAR | CAQ | CAX | H1 | 179.0° | 179.8° |
| CAQ | CAR | CAS | H4 | 179.3° | 180.0° |
| CAR | CAQ | CAP | H6 | 55.4° | 30.0° |
| CAR | CAQ | CAP | H7 | 63.4° | 150.0° |
| OAU | CAT | CAS | CAR | 179.1° | 180.0° |
| OAU | CAT | CAS | H4 | 0.9° | 0.0° |
| CAT | CAS | CAR | H4 | 180.0° | 180.0° |
| CAS | CAT | OAU | H3 | 0.4° | 90.0° |
| CAT | CAS | CAR | H5 | 179.2° | 180.0° |
| H4 | CAS | CAR | H5 | 0.8° | 0.0° |
| H6 | CAP | CAO | H8 | 175.1° | 180.0° |
| H6 | CAP | CAO | H9 | 66.1° | 60.0° |
| H7 | CAP | CAO | H8 | 56.3° | 60.0° |
| H7 | CAP | CAO | H9 | 175.2° | 180.0° |
| H10 | CAK | CAY | H11 | 66.6° | 60.0° |
| H10 | CAK | CAY | H12 | 52.3° | 60.0° |
| H10 | CAK | CAI | H19 | 53.3° | 60.0° |
| H15 | CAF | CAG | H17 | 179.5° | 60.1° |
| H16 | CAF | CAG | H17 | 59.8° | 180.0° |
| H17 | CAG | OAH | H18 | 61.3° | 60.0° |
| H17 | CAG | CAI | H19 | 178.8° | 180.0° |
| H19 | CAI | OAJ | H20 | 61.0° | 60.1° |
