H0Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAX | CAY | doub | 1.38Å | 1.37Å | Aromatic |
| CAX | CAW | sing | 1.39Å | 1.37Å | Aromatic |
| CAY | CAT | sing | 1.39Å | 1.38Å | Aromatic |
| CAW | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| OBA | CAS | doub | 1.22Å | 1.20Å | |
| CAT | CAS | sing | 1.47Å | 1.38Å | |
| CAT | CAU | doub | 1.41Å | 1.38Å | Aromatic |
| CAS | NAE | sing | 1.35Å | 1.32Å | |
| CAV | CAU | sing | 1.39Å | 1.38Å | Aromatic |
| CAU | CAC | sing | 1.47Å | 1.40Å | |
| CAH | CAI | doub | 1.38Å | 1.37Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.37Å | Aromatic |
| NAE | CAF | sing | 1.46Å | 1.45Å | |
| NAE | CAD | sing | 1.36Å | 1.35Å | |
| CAF | CAG | sing | 1.51Å | 1.38Å | |
| CAI | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| CAC | CAD | doub | 1.36Å | 1.35Å | |
| CAC | CAB | sing | 1.47Å | 1.40Å | |
| CAG | CAZ | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAK | doub | 1.38Å | 1.37Å | Aromatic |
| CAB | OAA | doub | 1.22Å | 1.20Å | |
| CAB | NBB | sing | 1.35Å | 1.32Å | |
| CAZ | CAK | sing | 1.38Å | 1.38Å | Aromatic |
| NBB | CAP | sing | 1.41Å | 1.34Å | |
| CAK | CL | sing | 1.74Å | 1.75Å | |
| CAP | CAQ | sing | 1.40Å | 1.31Å | Aromatic |
| CAP | CAO | doub | 1.36Å | 1.32Å | Aromatic |
| CAQ | NAR | doub | 1.31Å | 1.31Å | Aromatic |
| CAO | NAN | sing | 1.36Å | 1.30Å | Aromatic |
| NAR | NAN | sing | 1.40Å | 1.29Å | Aromatic |
| NAN | CAM | sing | 1.47Å | 1.41Å | |
| CAM | H1 | sing | 1.09Å | 1.10Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAO | H4 | sing | 1.08Å | 1.08Å | |
| CAQ | H5 | sing | 1.08Å | 1.08Å | |
| NBB | H6 | sing | 0.97Å | 1.00Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å | |
| CAV | H8 | sing | 1.08Å | 1.08Å | |
| CAW | H9 | sing | 1.08Å | 1.08Å | |
| CAX | H10 | sing | 1.08Å | 1.08Å | |
| CAY | H11 | sing | 1.08Å | 1.08Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| CAF | H13 | sing | 1.09Å | 1.10Å | |
| CAZ | H14 | sing | 1.08Å | 1.08Å | |
| CAJ | H15 | sing | 1.08Å | 1.08Å | |
| CAI | H16 | sing | 1.08Å | 1.08Å | |
| CAH | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAY | CAX | CAW | 118.8° | 120.7° |
| CAX | CAY | CAT | 121.5° | 119.6° |
| CAY | CAX | H10 | 120.6° | 119.7° |
| CAX | CAY | H11 | 119.2° | 120.2° |
| CAX | CAW | CAV | 119.9° | 120.7° |
| CAX | CAW | H9 | 120.0° | 119.6° |
| CAW | CAX | H10 | 120.6° | 119.6° |
| CAY | CAT | CAS | 119.3° | 121.9° |
| CAY | CAT | CAU | 120.2° | 119.7° |
| CAT | CAY | H11 | 119.3° | 120.2° |
| CAW | CAV | CAU | 121.7° | 119.6° |
| CAW | CAV | H8 | 119.2° | 120.2° |
| CAV | CAW | H9 | 120.0° | 119.7° |
| OBA | CAS | CAT | 120.6° | 120.2° |
| OBA | CAS | NAE | 118.8° | 120.2° |
| CAS | CAT | CAU | 120.5° | 118.4° |
| CAT | CAS | NAE | 120.6° | 119.6° |
| CAT | CAU | CAV | 117.8° | 119.8° |
| CAT | CAU | CAC | 118.8° | 118.2° |
| CAS | NAE | CAF | 120.9° | 118.7° |
| CAS | NAE | CAD | 118.8° | 122.5° |
| CAV | CAU | CAC | 123.3° | 122.0° |
| CAU | CAV | H8 | 119.2° | 120.2° |
| CAU | CAC | CAD | 116.5° | 119.1° |
| CAU | CAC | CAB | 125.8° | 120.5° |
| CAI | CAH | CAG | 123.6° | 120.0° |
| CAH | CAI | CAJ | 119.7° | 120.0° |
| CAH | CAI | H16 | 120.2° | 120.0° |
| CAI | CAH | H17 | 118.2° | 120.0° |
| CAH | CAG | CAF | 121.0° | 120.0° |
| CAH | CAG | CAZ | 115.4° | 120.0° |
| CAG | CAH | H17 | 118.2° | 120.0° |
| CAF | NAE | CAD | 120.3° | 118.7° |
| NAE | CAF | CAG | 109.4° | 109.5° |
| NAE | CAF | H12 | 109.5° | 109.5° |
| NAE | CAF | H13 | 109.5° | 109.5° |
| NAE | CAD | CAC | 124.7° | 122.2° |
| NAE | CAD | H7 | 117.6° | 118.9° |
| CAF | CAG | CAZ | 123.6° | 120.0° |
| CAG | CAF | H12 | 109.5° | 109.4° |
| CAG | CAF | H13 | 109.5° | 109.4° |
| CAI | CAJ | CAK | 119.4° | 120.0° |
| CAI | CAJ | H15 | 120.3° | 120.0° |
| CAJ | CAI | H16 | 120.2° | 120.0° |
| CAD | CAC | CAB | 117.4° | 120.4° |
| CAC | CAD | H7 | 117.7° | 118.9° |
| CAC | CAB | OAA | 117.7° | 120.0° |
| CAC | CAB | NBB | 119.5° | 120.0° |
| CAG | CAZ | CAK | 122.8° | 120.0° |
| CAG | CAZ | H14 | 118.6° | 120.0° |
| CAJ | CAK | CAZ | 119.2° | 120.0° |
| CAJ | CAK | CL | 118.9° | 120.0° |
| CAK | CAJ | H15 | 120.3° | 120.0° |
| OAA | CAB | NBB | 122.8° | 120.0° |
| CAB | NBB | CAP | 121.7° | 120.0° |
| CAB | NBB | H6 | 119.1° | 120.0° |
| CAZ | CAK | CL | 121.8° | 120.0° |
| CAK | CAZ | H14 | 118.6° | 120.0° |
| NBB | CAP | CAQ | 125.9° | 126.0° |
| NBB | CAP | CAO | 127.5° | 126.1° |
| CAP | NBB | H6 | 119.2° | 120.0° |
| CAQ | CAP | CAO | 106.4° | 107.9° |
| CAP | CAQ | NAR | 108.5° | 108.3° |
| CAP | CAQ | H5 | 125.8° | 125.9° |
| CAP | CAO | NAN | 108.4° | 107.5° |
| CAP | CAO | H4 | 125.8° | 126.3° |
| CAQ | NAR | NAN | 107.9° | 108.4° |
| NAR | CAQ | H5 | 125.7° | 125.8° |
| CAO | NAN | NAR | 108.7° | 107.9° |
| CAO | NAN | CAM | 124.0° | 126.0° |
| NAN | CAO | H4 | 125.8° | 126.2° |
| NAR | NAN | CAM | 127.3° | 126.0° |
| NAN | CAM | H1 | 109.5° | 109.5° |
| NAN | CAM | H2 | 109.4° | 109.5° |
| NAN | CAM | H3 | 109.5° | 109.5° |
| H1 | CAM | H2 | 109.5° | 109.4° |
| H1 | CAM | H3 | 109.4° | 109.5° |
| H2 | CAM | H3 | 109.5° | 109.5° |
| H12 | CAF | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAY | CAX | CAW | H10 | 180.0° | 180.0° |
| CAX | CAY | CAT | H11 | 180.0° | 179.9° |
| CAY | CAX | CAW | CAV | 0.8° | 0.0° |
| CAX | CAY | CAT | CAS | 179.6° | 180.0° |
| CAX | CAY | CAT | CAU | 1.6° | 0.1° |
| CAY | CAX | CAW | H9 | 179.2° | 180.0° |
| CAW | CAX | CAY | CAT | 1.4° | 0.0° |
| CAX | CAW | CAV | H9 | 180.0° | 180.0° |
| CAX | CAW | CAV | CAU | 0.4° | 0.0° |
| CAX | CAW | CAV | H8 | 179.6° | 179.9° |
| CAW | CAX | CAY | H11 | 178.5° | 180.0° |
| CAY | CAT | CAS | OBA | 0.8° | 0.0° |
| CAY | CAT | CAS | CAU | 178.8° | 179.9° |
| CAY | CAT | CAS | NAE | 179.8° | 179.7° |
| CAY | CAT | CAU | CAV | 1.2° | 0.1° |
| CAY | CAT | CAU | CAC | 179.7° | 180.0° |
| CAT | CAY | CAX | H10 | 178.5° | 180.0° |
| CAW | CAV | CAU | CAT | 0.6° | 0.0° |
| CAW | CAV | CAU | H8 | 180.0° | 179.9° |
| CAW | CAV | CAU | CAC | 179.0° | 179.9° |
| CAV | CAW | CAX | H10 | 179.2° | 180.0° |
| OBA | CAS | CAT | NAE | 179.5° | 179.7° |
| OBA | CAS | CAT | CAU | 179.5° | 179.9° |
| OBA | CAS | NAE | CAF | 1.9° | 0.3° |
| OBA | CAS | NAE | CAD | 179.6° | 179.7° |
| CAS | CAT | CAU | CAV | 179.9° | 180.0° |
| CAS | CAT | CAU | CAC | 1.6° | 0.1° |
| CAT | CAS | NAE | CAF | 178.6° | 180.0° |
| CAT | CAS | NAE | CAD | 0.9° | 0.5° |
| CAS | CAT | CAY | H11 | 0.4° | 0.0° |
| CAU | CAT | CAS | NAE | 1.0° | 0.3° |
| CAT | CAU | CAV | CAC | 178.4° | 179.9° |
| CAT | CAU | CAC | CAD | 2.1° | 0.0° |
| CAT | CAU | CAC | CAB | 175.0° | 179.8° |
| CAT | CAU | CAV | H8 | 179.4° | 180.0° |
| CAU | CAT | CAY | H11 | 178.3° | 180.0° |
| CAS | NAE | CAF | CAD | 177.6° | 179.5° |
| CAS | NAE | CAF | CAG | 77.9° | 90.0° |
| CAS | NAE | CAD | CAC | 1.6° | 0.5° |
| CAS | NAE | CAD | H7 | 178.4° | 179.5° |
| CAS | NAE | CAF | H12 | 42.1° | 150.0° |
| CAS | NAE | CAF | H13 | 162.2° | 30.0° |
| CAV | CAU | CAC | CAD | 179.5° | 179.9° |
| CAV | CAU | CAC | CAB | 6.6° | 0.3° |
| CAU | CAV | CAW | H9 | 179.6° | 180.0° |
| CAU | CAC | CAD | NAE | 2.2° | 0.2° |
| CAU | CAC | CAD | CAB | 173.5° | 179.8° |
| CAU | CAC | CAB | OAA | 34.5° | 5.2° |
| CAU | CAC | CAB | NBB | 146.1° | 174.8° |
| CAU | CAC | CAD | H7 | 177.8° | 179.8° |
| CAC | CAU | CAV | H8 | 1.0° | 0.1° |
| CAI | CAH | CAG | H17 | 180.0° | 179.6° |
| CAI | CAH | CAG | CAF | 178.2° | 179.7° |
| CAH | CAI | CAJ | H16 | 180.0° | 179.8° |
| CAI | CAH | CAG | CAZ | 0.3° | 0.4° |
| CAH | CAI | CAJ | CAK | 0.4° | 0.2° |
| CAH | CAI | CAJ | H15 | 179.6° | 179.8° |
| CAH | CAG | CAF | NAE | 100.8° | 90.2° |
| CAH | CAG | CAF | CAZ | 177.8° | 179.8° |
| CAG | CAH | CAI | CAJ | 0.7° | 0.5° |
| CAH | CAG | CAZ | CAK | 1.5° | 0.2° |
| CAH | CAG | CAF | H12 | 19.2° | 149.7° |
| CAH | CAG | CAF | H13 | 139.2° | 29.8° |
| CAH | CAG | CAZ | H14 | 178.5° | 179.8° |
| CAG | CAH | CAI | H16 | 179.3° | 179.7° |
| NAE | CAF | CAG | H12 | 120.0° | 120.1° |
| NAE | CAF | CAG | H13 | 120.0° | 120.0° |
| CAF | NAE | CAD | CAC | 179.3° | 180.0° |
| NAE | CAF | CAG | CAZ | 77.0° | 90.0° |
| CAF | NAE | CAD | H7 | 0.7° | 0.0° |
| NAE | CAF | H12 | H13 | 120.0° | 120.0° |
| CAD | NAE | CAF | CAG | 99.8° | 90.6° |
| NAE | CAD | CAC | H7 | 180.0° | 180.0° |
| NAE | CAD | CAC | CAB | 175.7° | 180.0° |
| CAD | NAE | CAF | H12 | 140.2° | 29.5° |
| CAD | NAE | CAF | H13 | 20.2° | 149.5° |
| CAF | CAG | CAZ | CAK | 179.4° | 180.0° |
| CAG | CAF | H12 | H13 | 120.0° | 119.9° |
| CAF | CAG | CAZ | H14 | 0.6° | 0.0° |
| CAF | CAG | CAH | H17 | 1.7° | 0.2° |
| CAI | CAJ | CAK | H15 | 180.0° | 179.9° |
| CAI | CAJ | CAK | CAZ | 0.8° | 0.0° |
| CAI | CAJ | CAK | CL | 179.7° | 180.0° |
| CAJ | CAI | CAH | H17 | 179.3° | 180.0° |
| CAD | CAC | CAB | OAA | 138.4° | 174.5° |
| CAD | CAC | CAB | NBB | 41.0° | 5.4° |
| CAC | CAB | OAA | NBB | 179.4° | 179.9° |
| CAC | CAB | NBB | CAP | 179.8° | 174.7° |
| CAC | CAB | NBB | H6 | 0.2° | 5.2° |
| CAB | CAC | CAD | H7 | 4.3° | 0.0° |
| CAG | CAZ | CAK | CAJ | 1.8° | 0.1° |
| CAG | CAZ | CAK | H14 | 180.0° | 180.0° |
| CAG | CAZ | CAK | CL | 179.3° | 179.9° |
| CAZ | CAG | CAF | H12 | 163.0° | 30.1° |
| CAZ | CAG | CAF | H13 | 43.0° | 150.0° |
| CAZ | CAG | CAH | H17 | 179.7° | 180.0° |
| CAJ | CAK | CAZ | CL | 178.9° | 180.0° |
| CAJ | CAK | CAZ | H14 | 178.2° | 180.0° |
| CAK | CAJ | CAI | H16 | 179.6° | 180.0° |
| OAA | CAB | NBB | CAP | 0.4° | 5.4° |
| OAA | CAB | NBB | H6 | 179.6° | 174.7° |
| CAB | NBB | CAP | H6 | 180.0° | 179.9° |
| CAB | NBB | CAP | CAQ | 162.6° | 0.1° |
| CAB | NBB | CAP | CAO | 22.0° | 180.0° |
| CAZ | CAK | CAJ | H15 | 179.2° | 179.9° |
| NBB | CAP | CAQ | CAO | 176.2° | 180.0° |
| NBB | CAP | CAQ | NAR | 178.5° | 180.0° |
| NBB | CAP | CAO | NAN | 177.9° | 179.9° |
| NBB | CAP | CAO | H4 | 2.2° | 0.1° |
| NBB | CAP | CAQ | H5 | 1.5° | 0.1° |
| CL | CAK | CAZ | H14 | 0.6° | 0.0° |
| CL | CAK | CAJ | H15 | 0.3° | 0.1° |
| CAP | CAQ | NAR | H5 | 180.0° | 179.8° |
| CAQ | CAP | CAO | NAN | 1.8° | 0.2° |
| CAP | CAQ | NAR | NAN | 2.0° | 0.2° |
| CAQ | CAP | CAO | H4 | 178.2° | 179.9° |
| CAQ | CAP | NBB | H6 | 17.4° | 179.9° |
| CAO | CAP | CAQ | NAR | 2.3° | 0.0° |
| CAP | CAO | NAN | H4 | 180.0° | 180.0° |
| CAP | CAO | NAN | NAR | 0.6° | 0.3° |
| CAP | CAO | NAN | CAM | 177.7° | 180.0° |
| CAO | CAP | CAQ | H5 | 177.7° | 179.8° |
| CAO | CAP | NBB | H6 | 158.0° | 0.1° |
| CAQ | NAR | NAN | CAO | 0.9° | 0.3° |
| CAQ | NAR | NAN | CAM | 179.1° | 180.0° |
| CAO | NAN | NAR | CAM | 178.2° | 179.7° |
| CAO | NAN | CAM | H1 | 177.9° | 90.0° |
| CAO | NAN | CAM | H2 | 57.9° | 150.0° |
| CAO | NAN | CAM | H3 | 62.1° | 30.0° |
| NAR | NAN | CAM | H1 | 0.0° | 90.3° |
| NAR | NAN | CAM | H2 | 120.0° | 29.7° |
| NAR | NAN | CAM | H3 | 120.0° | 149.7° |
| NAR | NAN | CAO | H4 | 179.5° | 179.8° |
| NAN | NAR | CAQ | H5 | 178.0° | 180.0° |
| NAN | CAM | H1 | H2 | 120.0° | 120.0° |
| NAN | CAM | H1 | H3 | 120.0° | 120.0° |
| NAN | CAM | H2 | H3 | 120.0° | 120.0° |
| CAM | NAN | CAO | H4 | 2.2° | 0.0° |
| H1 | CAM | H2 | H3 | 120.0° | 120.0° |
| H8 | CAV | CAW | H9 | 0.4° | 0.1° |
| H9 | CAW | CAX | H10 | 0.8° | 0.0° |
| H10 | CAX | CAY | H11 | 1.5° | 0.0° |
| H15 | CAJ | CAI | H16 | 0.4° | 0.0° |
| H16 | CAI | CAH | H17 | 0.7° | 0.2° |
