5D3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | SAI | sing | 1.76Å | 1.73Å | |
| CAB | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAG | sing | 1.51Å | 1.39Å | |
| CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAH | sing | 1.53Å | 1.53Å | |
| CAK | CAM | doub | 1.38Å | 1.31Å | Aromatic |
| CAK | NAP | sing | 1.33Å | 1.32Å | Aromatic |
| CAK | SAI | sing | 1.76Å | 1.74Å | |
| CAM | NAN | sing | 1.37Å | 1.32Å | Aromatic |
| CAM | NAQ | sing | 1.34Å | 1.33Å | Aromatic |
| CAR | CAS | sing | 1.42Å | 1.33Å | Aromatic |
| CAR | NAQ | doub | 1.32Å | 1.34Å | Aromatic |
| CAR | NAX | sing | 1.38Å | 1.32Å | |
| CAS | CAT | doub | 1.38Å | 1.34Å | Aromatic |
| CAS | SAU | sing | 1.76Å | 1.62Å | Aromatic |
| CAT | CAW | sing | 1.39Å | 1.35Å | Aromatic |
| CAT | NAN | sing | 1.39Å | 1.33Å | Aromatic |
| CAV | CAW | doub | 1.33Å | 1.34Å | Aromatic |
| CAV | SAU | sing | 1.76Å | 1.64Å | Aromatic |
| CAY | CAZ | sing | 1.51Å | 1.52Å | |
| CAY | NAX | sing | 1.46Å | 1.47Å | |
| CAZ | CBA | doub | 1.33Å | 1.33Å | Aromatic |
| CAZ | SBD | sing | 1.76Å | 1.56Å | Aromatic |
| CBA | CBB | sing | 1.38Å | 1.34Å | Aromatic |
| CBB | CBC | doub | 1.33Å | 1.33Å | Aromatic |
| CBC | SBD | sing | 1.76Å | 1.66Å | Aromatic |
| NAN | NAO | sing | 1.40Å | 1.25Å | Aromatic |
| NAO | NAP | doub | 1.29Å | 1.26Å | Aromatic |
| OAJ | SAI | doub | 1.42Å | 1.52Å | |
| OAL | SAI | doub | 1.42Å | 1.52Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAV | H11 | sing | 1.08Å | 1.08Å | |
| CAW | H13 | sing | 1.08Å | 1.08Å | |
| CAY | H14 | sing | 1.09Å | 1.10Å | |
| CAY | H15 | sing | 1.09Å | 1.10Å | |
| CBA | H17 | sing | 1.08Å | 1.08Å | |
| CBB | H18 | sing | 1.08Å | 1.08Å | |
| CBC | H20 | sing | 1.08Å | 1.08Å | |
| NAX | H22 | sing | 0.97Å | 1.00Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAF | 120.0° | 120.0° |
| CAB | CAA | SAI | 117.8° | 120.0° |
| CAA | CAB | CAC | 120.5° | 120.0° |
| CAA | CAB | H1 | 119.8° | 120.0° |
| CAF | CAA | SAI | 122.2° | 120.0° |
| CAA | CAF | CAE | 119.5° | 120.0° |
| CAA | CAF | H4 | 120.3° | 120.0° |
| CAA | SAI | CAK | 112.0° | 107.2° |
| CAA | SAI | OAJ | 108.8° | 106.4° |
| CAA | SAI | OAL | 109.2° | 106.4° |
| CAB | CAC | CAD | 119.8° | 120.0° |
| CAC | CAB | H1 | 119.7° | 120.0° |
| CAB | CAC | H2 | 120.1° | 120.0° |
| CAC | CAD | CAE | 119.8° | 120.0° |
| CAC | CAD | CAG | 120.2° | 120.0° |
| CAD | CAC | H2 | 120.1° | 120.0° |
| CAE | CAD | CAG | 120.0° | 120.0° |
| CAD | CAE | CAF | 120.5° | 120.0° |
| CAD | CAE | H3 | 119.8° | 120.0° |
| CAD | CAG | CAH | 110.3° | 109.5° |
| CAD | CAG | H5 | 109.3° | 109.5° |
| CAD | CAG | H6 | 109.3° | 109.4° |
| CAF | CAE | H3 | 119.8° | 120.0° |
| CAE | CAF | H4 | 120.3° | 120.0° |
| CAH | CAG | H5 | 109.3° | 109.5° |
| CAH | CAG | H6 | 109.3° | 109.4° |
| CAG | CAH | H7 | 109.5° | 109.4° |
| CAG | CAH | H8 | 109.4° | 109.4° |
| CAG | CAH | H9 | 109.5° | 109.5° |
| CAM | CAK | NAP | 107.4° | 108.4° |
| CAM | CAK | SAI | 124.8° | 125.8° |
| CAK | CAM | NAN | 105.8° | 106.0° |
| CAK | CAM | NAQ | 134.6° | 133.0° |
| NAP | CAK | SAI | 127.6° | 125.8° |
| CAK | NAP | NAO | 107.1° | 110.5° |
| CAK | SAI | OAJ | 109.1° | 106.4° |
| CAK | SAI | OAL | 108.8° | 106.4° |
| NAN | CAM | NAQ | 119.5° | 120.9° |
| CAM | NAN | CAT | 123.4° | 120.5° |
| CAM | NAN | NAO | 108.6° | 106.6° |
| CAM | NAQ | CAR | 118.1° | 121.1° |
| CAS | CAR | NAQ | 121.8° | 120.5° |
| CAS | CAR | NAX | 117.3° | 119.8° |
| CAR | CAS | CAT | 120.2° | 119.4° |
| CAR | CAS | SAU | 132.0° | 131.1° |
| NAQ | CAR | NAX | 120.7° | 119.8° |
| CAR | NAX | CAY | 119.6° | 120.0° |
| CAR | NAX | H22 | 106.9° | 120.0° |
| CAT | CAS | SAU | 107.8° | 109.5° |
| CAS | CAT | CAW | 113.4° | 113.0° |
| CAS | CAT | NAN | 116.9° | 117.5° |
| CAS | SAU | CAV | 97.3° | 91.3° |
| CAW | CAT | NAN | 129.7° | 129.5° |
| CAT | CAW | CAV | 115.1° | 115.8° |
| CAT | CAW | H13 | 122.4° | 122.1° |
| CAT | NAN | NAO | 128.0° | 132.8° |
| CAW | CAV | SAU | 106.4° | 110.3° |
| CAW | CAV | H11 | 126.8° | 124.8° |
| CAV | CAW | H13 | 122.5° | 122.1° |
| SAU | CAV | H11 | 126.8° | 124.9° |
| CAZ | CAY | NAX | 113.5° | 109.5° |
| CAY | CAZ | CBA | 125.1° | 125.2° |
| CAY | CAZ | SBD | 124.5° | 125.2° |
| CAZ | CAY | H14 | 108.5° | 109.4° |
| CAZ | CAY | H15 | 108.4° | 109.4° |
| NAX | CAY | H14 | 108.4° | 109.5° |
| NAX | CAY | H15 | 108.5° | 109.5° |
| CAY | NAX | H22 | 106.9° | 120.0° |
| CBA | CAZ | SBD | 110.4° | 109.6° |
| CAZ | CBA | CBB | 113.1° | 114.9° |
| CAZ | CBA | H17 | 123.5° | 122.5° |
| CAZ | SBD | CBC | 96.0° | 91.0° |
| CBA | CBB | CBC | 113.4° | 114.9° |
| CBB | CBA | H17 | 123.5° | 122.5° |
| CBA | CBB | H18 | 123.3° | 122.6° |
| CBB | CBC | SBD | 107.1° | 109.6° |
| CBC | CBB | H18 | 123.3° | 122.5° |
| CBB | CBC | H20 | 126.5° | 125.2° |
| SBD | CBC | H20 | 126.5° | 125.2° |
| NAN | NAO | NAP | 110.9° | 108.4° |
| OAJ | SAI | OAL | 108.9° | 123.2° |
| H14 | CAY | H15 | 109.5° | 109.5° |
| H5 | CAG | H6 | 109.4° | 109.5° |
| H7 | CAH | H8 | 109.5° | 109.5° |
| H7 | CAH | H9 | 109.5° | 109.5° |
| H8 | CAH | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAF | SAI | 179.3° | 179.7° |
| CAA | CAB | CAC | H1 | 180.0° | 179.9° |
| CAA | CAB | CAC | CAD | 0.4° | 0.0° |
| CAB | CAA | CAF | CAE | 0.8° | 0.1° |
| CAB | CAA | SAI | CAK | 124.4° | 90.0° |
| CAB | CAA | SAI | OAJ | 115.0° | 156.5° |
| CAB | CAA | SAI | OAL | 3.8° | 23.5° |
| CAA | CAB | CAC | H2 | 179.6° | 180.0° |
| CAB | CAA | CAF | H4 | 179.2° | 180.0° |
| CAF | CAA | CAB | CAC | 0.7° | 0.0° |
| CAA | CAF | CAE | CAD | 0.7° | 0.1° |
| CAA | CAF | CAE | H4 | 180.0° | 180.0° |
| CAF | CAA | SAI | CAK | 56.3° | 90.3° |
| CAF | CAA | SAI | OAJ | 64.3° | 23.2° |
| CAF | CAA | SAI | OAL | 176.9° | 156.2° |
| CAF | CAA | CAB | H1 | 179.3° | 180.0° |
| CAA | CAF | CAE | H3 | 179.3° | 180.0° |
| SAI | CAA | CAB | CAC | 180.0° | 179.7° |
| SAI | CAA | CAF | CAE | 179.9° | 179.7° |
| CAA | SAI | CAK | CAM | 100.3° | 90.0° |
| CAA | SAI | CAK | NAP | 75.1° | 90.3° |
| CAA | SAI | CAK | OAJ | 120.5° | 113.5° |
| CAA | SAI | CAK | OAL | 120.8° | 113.5° |
| CAA | SAI | OAJ | OAL | 118.9° | 123.0° |
| SAI | CAA | CAB | H1 | 0.0° | 0.2° |
| SAI | CAA | CAF | H4 | 0.1° | 0.3° |
| CAB | CAC | CAD | H2 | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.2° | NaN° |
| CAB | CAC | CAD | CAG | 180.0° | 179.9° |
| CAC | CAD | CAE | CAG | 179.7° | 179.9° |
| CAC | CAD | CAE | CAF | 0.4° | 0.0° |
| CAC | CAD | CAG | CAH | 19.3° | 90.0° |
| CAD | CAC | CAB | H1 | 179.6° | 179.9° |
| CAC | CAD | CAE | H3 | 179.6° | 179.9° |
| CAC | CAD | CAG | H5 | 139.4° | 150.0° |
| CAC | CAD | CAG | H6 | 100.9° | 30.0° |
| CAD | CAE | CAF | H3 | 180.0° | 179.9° |
| CAE | CAD | CAG | CAH | 161.0° | 90.1° |
| CAE | CAD | CAC | H2 | 179.7° | 180.0° |
| CAD | CAE | CAF | H4 | 179.3° | 180.0° |
| CAE | CAD | CAG | H5 | 40.9° | 30.0° |
| CAE | CAD | CAG | H6 | 78.8° | 150.0° |
| CAG | CAD | CAE | CAF | 179.9° | 179.9° |
| CAD | CAG | CAH | H5 | 120.1° | 120.1° |
| CAD | CAG | CAH | H6 | 120.2° | 119.9° |
| CAG | CAD | CAC | H2 | 0.0° | 0.0° |
| CAG | CAD | CAE | H3 | 0.1° | 0.0° |
| CAD | CAG | H5 | H6 | 119.6° | 120.0° |
| CAD | CAG | CAH | H7 | 180.0° | 60.0° |
| CAD | CAG | CAH | H8 | 60.0° | 180.0° |
| CAD | CAG | CAH | H9 | 60.0° | 59.9° |
| CAH | CAG | H5 | H6 | 119.6° | 120.0° |
| CAG | CAH | H7 | H8 | 120.0° | 119.9° |
| CAG | CAH | H7 | H9 | 120.0° | 120.0° |
| CAG | CAH | H8 | H9 | 120.0° | 120.1° |
| CAM | CAK | NAP | SAI | 176.1° | 179.7° |
| CAK | CAM | NAN | NAQ | 179.9° | 180.0° |
| CAK | CAM | NAQ | CAR | 176.8° | 180.0° |
| CAK | CAM | NAN | CAT | 179.0° | 180.0° |
| CAK | CAM | NAN | NAO | 1.0° | 0.0° |
| CAM | CAK | NAP | NAO | 2.8° | 0.0° |
| CAM | CAK | SAI | OAJ | 139.2° | 23.5° |
| CAM | CAK | SAI | OAL | 20.5° | 156.4° |
| NAP | CAK | CAM | NAN | 2.3° | 0.0° |
| NAP | CAK | CAM | NAQ | 177.9° | 180.0° |
| CAK | NAP | NAO | NAN | 2.3° | 0.0° |
| NAP | CAK | SAI | OAJ | 45.4° | 156.2° |
| NAP | CAK | SAI | OAL | 164.1° | 23.2° |
| SAI | CAK | CAM | NAN | 178.5° | 179.8° |
| SAI | CAK | CAM | NAQ | 1.6° | 0.2° |
| SAI | CAK | NAP | NAO | 178.9° | 179.8° |
| CAK | SAI | OAJ | OAL | 118.6° | 122.9° |
| NAN | CAM | NAQ | CAR | 3.0° | 0.0° |
| CAM | NAN | CAT | CAS | 0.1° | 0.0° |
| CAM | NAN | CAT | CAW | 180.0° | 180.0° |
| CAM | NAN | CAT | NAO | 180.0° | 179.9° |
| CAM | NAN | NAO | NAP | 0.8° | 0.0° |
| CAM | NAQ | CAR | CAS | 4.6° | 0.0° |
| CAM | NAQ | CAR | NAX | 178.2° | 180.0° |
| NAQ | CAM | NAN | CAT | 0.8° | 0.0° |
| NAQ | CAM | NAN | NAO | 179.1° | 180.0° |
| CAS | CAR | NAQ | NAX | 173.5° | 179.9° |
| CAR | CAS | CAT | SAU | 178.4° | 180.0° |
| CAR | CAS | CAT | CAW | 178.4° | 180.0° |
| CAR | CAS | CAT | NAN | 1.6° | 0.0° |
| CAR | CAS | SAU | CAV | 178.2° | 180.0° |
| CAS | CAR | NAX | CAY | 173.8° | 180.0° |
| CAS | CAR | NAX | H22 | 52.3° | 0.0° |
| NAQ | CAR | CAS | CAT | 4.0° | 0.1° |
| NAQ | CAR | CAS | SAU | 178.1° | 179.9° |
| NAQ | CAR | NAX | CAY | 0.0° | 0.0° |
| NAQ | CAR | NAX | H22 | 121.5° | 179.9° |
| NAX | CAR | CAS | CAT | 177.7° | 180.0° |
| NAX | CAR | CAS | SAU | 4.4° | 0.0° |
| CAR | NAX | CAY | CAZ | 101.1° | 180.0° |
| CAR | NAX | CAY | H22 | 121.4° | 180.0° |
| CAR | NAX | CAY | H14 | 138.3° | 60.0° |
| CAR | NAX | CAY | H15 | 19.5° | 60.1° |
| CAS | CAT | CAW | NAN | 179.9° | 180.0° |
| CAS | CAT | CAW | CAV | 0.1° | 0.1° |
| CAT | CAS | SAU | CAV | 0.1° | 0.0° |
| CAS | CAT | NAN | NAO | 179.9° | 180.0° |
| CAS | CAT | CAW | H13 | 179.9° | 180.0° |
| SAU | CAS | CAT | CAW | 0.1° | 0.0° |
| SAU | CAS | CAT | NAN | 180.0° | 180.0° |
| CAS | SAU | CAV | CAW | 0.0° | 0.0° |
| CAS | SAU | CAV | H11 | 180.0° | 180.0° |
| CAT | CAW | CAV | H13 | 180.0° | 179.9° |
| CAT | CAW | CAV | SAU | 0.0° | 0.0° |
| CAW | CAT | NAN | NAO | 0.0° | 0.0° |
| CAT | CAW | CAV | H11 | 180.0° | 180.0° |
| NAN | CAT | CAW | CAV | 180.0° | 179.9° |
| CAT | NAN | NAO | NAP | 179.2° | 179.9° |
| NAN | CAT | CAW | H13 | 0.0° | 0.0° |
| CAW | CAV | SAU | H11 | 180.0° | 180.0° |
| SAU | CAV | CAW | H13 | 180.0° | 180.0° |
| CAZ | CAY | NAX | H14 | 120.6° | 120.0° |
| CAZ | CAY | NAX | H15 | 120.6° | 119.9° |
| CAY | CAZ | CBA | SBD | 179.2° | 179.8° |
| CAY | CAZ | CBA | CBB | 179.3° | 180.0° |
| CAY | CAZ | SBD | CBC | 179.2° | 179.9° |
| CAZ | CAY | H14 | H15 | 118.2° | 119.9° |
| CAY | CAZ | CBA | H17 | 0.7° | 0.0° |
| CAZ | CAY | NAX | H22 | 137.5° | 0.0° |
| NAX | CAY | CAZ | CBA | 128.4° | 90.0° |
| NAX | CAY | CAZ | SBD | 52.5° | 90.3° |
| NAX | CAY | H14 | H15 | 118.2° | 120.1° |
| CAZ | CBA | CBB | H17 | 180.0° | 180.0° |
| CAZ | CBA | CBB | CBC | 0.2° | 0.1° |
| CBA | CAZ | SBD | CBC | 0.0° | 0.3° |
| CBA | CAZ | CAY | H14 | 7.9° | 150.0° |
| CBA | CAZ | CAY | H15 | 111.0° | 30.0° |
| CAZ | CBA | CBB | H18 | 179.8° | 180.0° |
| SBD | CAZ | CBA | CBB | 0.1° | 0.2° |
| CAZ | SBD | CBC | CBB | 0.1° | 0.2° |
| SBD | CAZ | CAY | H14 | 173.1° | 29.8° |
| SBD | CAZ | CAY | H15 | 68.1° | 149.7° |
| SBD | CAZ | CBA | H17 | 179.9° | 179.8° |
| CAZ | SBD | CBC | H20 | 179.9° | 179.8° |
| CBA | CBB | CBC | H18 | 180.0° | 179.9° |
| CBA | CBB | CBC | SBD | 0.2° | 0.1° |
| CBA | CBB | CBC | H20 | 179.8° | 179.9° |
| CBB | CBC | SBD | H20 | 180.0° | 179.9° |
| CBC | CBB | CBA | H17 | 179.8° | 180.0° |
| SBD | CBC | CBB | H18 | 179.8° | 179.8° |
| H1 | CAB | CAC | H2 | 0.4° | 0.1° |
| H3 | CAE | CAF | H4 | 0.7° | 0.1° |
| H11 | CAV | CAW | H13 | 0.0° | 0.0° |
| H14 | CAY | NAX | H22 | 16.9° | 120.0° |
| H15 | CAY | NAX | H22 | 102.0° | 120.0° |
| H17 | CBA | CBB | H18 | 0.2° | 0.0° |
| H18 | CBB | CBC | H20 | 0.2° | 0.2° |
| H5 | CAG | CAH | H7 | 59.9° | 60.0° |
| H5 | CAG | CAH | H8 | 179.9° | 59.9° |
| H5 | CAG | CAH | H9 | 60.1° | 180.0° |
| H6 | CAG | CAH | H7 | 59.8° | 180.0° |
| H6 | CAG | CAH | H8 | 60.2° | 60.1° |
| H6 | CAG | CAH | H9 | 179.8° | 60.0° |
| H7 | CAH | H8 | H9 | 120.0° | 120.0° |






