C1H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | NAB | sing | 1.22Å | 1.40Å | |
| NAB | OAE | sing | 1.42Å | 1.37Å | |
| NAB | ONA | doub | 1.22Å | 1.23Å | |
| OAC | CAK | doub | 1.22Å | 1.23Å | |
| OAD | SAO | doub | 1.42Å | 1.43Å | |
| OAE | CAF | sing | 1.43Å | 1.44Å | |
| CAF | CAG | sing | 1.53Å | 1.53Å | |
| CAG | CAH | sing | 1.53Å | 1.53Å | |
| CAH | CAI | sing | 1.53Å | 1.53Å | |
| CAI | OAJ | sing | 1.45Å | 1.43Å | |
| OAJ | CAK | sing | 1.35Å | 1.46Å | |
| CAK | CAL | sing | 1.48Å | 1.51Å | |
| CAL | CAM | doub | 1.40Å | 1.41Å | Aromatic |
| CAL | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAM | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | SAO | sing | 1.76Å | 1.62Å | |
| CAN | CAW | doub | 1.38Å | 1.41Å | Aromatic |
| SAO | NAP | sing | 1.66Å | 1.54Å | |
| SAO | OAX | doub | 1.42Å | 1.43Å | |
| NAP | CAQ | sing | 1.39Å | 1.40Å | |
| CAQ | NAR | doub | 1.30Å | 1.38Å | Aromatic |
| CAQ | SAY | sing | 1.76Å | 1.73Å | Aromatic |
| NAR | NAS | sing | 1.26Å | 1.44Å | Aromatic |
| NAS | CAZ | doub | 1.29Å | 1.37Å | Aromatic |
| OAT | SBA | doub | 1.42Å | 1.51Å | |
| CAU | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.38Å | 1.40Å | Aromatic |
| SAY | CAZ | sing | 1.76Å | 1.73Å | Aromatic |
| CAZ | SBA | sing | 1.76Å | 1.69Å | |
| SBA | NBB | sing | 1.66Å | 1.48Å | |
| SBA | OBC | doub | 1.42Å | 1.48Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| NBB | HNBB | sing | 0.97Å | 1.00Å | |
| NBB | HNBA | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | NAB | OAE | 119.3° | 120.0° |
| OAA | NAB | ONA | 118.9° | 120.0° |
| OAE | NAB | ONA | 121.9° | 120.0° |
| NAB | OAE | CAF | 124.0° | 114.0° |
| OAC | CAK | OAJ | 119.3° | 120.0° |
| OAC | CAK | CAL | 119.5° | 119.9° |
| OAD | SAO | CAN | 105.9° | 106.4° |
| OAD | SAO | NAP | 109.4° | 106.4° |
| OAD | SAO | OAX | 106.5° | 123.1° |
| OAE | CAF | CAG | 112.7° | 109.5° |
| OAE | CAF | HAF | 108.4° | 109.4° |
| OAE | CAF | HAFA | 108.4° | 109.5° |
| CAF | CAG | CAH | 112.3° | 109.4° |
| CAG | CAF | HAF | 108.4° | 109.4° |
| CAG | CAF | HAFA | 108.4° | 109.5° |
| CAF | CAG | HAG | 108.5° | 109.4° |
| CAF | CAG | HAGA | 108.5° | 109.5° |
| CAG | CAH | CAI | 112.5° | 109.4° |
| CAH | CAG | HAG | 108.5° | 109.5° |
| CAH | CAG | HAGA | 108.5° | 109.5° |
| CAG | CAH | HAH | 108.5° | 109.5° |
| CAG | CAH | HAHA | 108.5° | 109.5° |
| CAH | CAI | OAJ | 110.6° | 109.5° |
| CAI | CAH | HAH | 108.5° | 109.4° |
| CAI | CAH | HAHA | 108.5° | 109.5° |
| CAH | CAI | HAI | 109.1° | 109.5° |
| CAH | CAI | HAIA | 109.1° | 109.5° |
| CAI | OAJ | CAK | 121.4° | 117.0° |
| OAJ | CAI | HAI | 109.1° | 109.4° |
| OAJ | CAI | HAIA | 109.1° | 109.5° |
| OAJ | CAK | CAL | 121.1° | 120.1° |
| CAK | CAL | CAM | 120.6° | 120.2° |
| CAK | CAL | CAU | 118.9° | 120.1° |
| CAM | CAL | CAU | 120.4° | 119.7° |
| CAL | CAM | CAN | 120.8° | 119.9° |
| CAL | CAM | HAM | 119.6° | 120.0° |
| CAL | CAU | CAV | 119.8° | 119.8° |
| CAL | CAU | HAU | 120.1° | 120.1° |
| CAM | CAN | SAO | 125.5° | 119.9° |
| CAM | CAN | CAW | 117.0° | 120.1° |
| CAN | CAM | HAM | 119.6° | 120.1° |
| SAO | CAN | CAW | 117.5° | 120.0° |
| CAN | SAO | NAP | 124.2° | 107.2° |
| CAN | SAO | OAX | 104.2° | 106.4° |
| CAN | CAW | CAV | 123.0° | 120.3° |
| CAN | CAW | HAW | 118.5° | 119.8° |
| NAP | SAO | OAX | 105.4° | 106.4° |
| SAO | NAP | CAQ | 122.8° | 120.0° |
| SAO | NAP | HNAP | 105.2° | 120.0° |
| NAP | CAQ | NAR | 125.4° | 126.2° |
| NAP | CAQ | SAY | 125.4° | 126.2° |
| CAQ | NAP | HNAP | 105.3° | 120.0° |
| NAR | CAQ | SAY | 109.2° | 107.7° |
| CAQ | NAR | NAS | 114.1° | 117.6° |
| CAQ | SAY | CAZ | 94.1° | 88.9° |
| NAR | NAS | CAZ | 112.8° | 117.9° |
| NAS | CAZ | SAY | 109.9° | 107.9° |
| NAS | CAZ | SBA | 126.9° | 126.0° |
| OAT | SBA | CAZ | 115.3° | 106.4° |
| OAT | SBA | NBB | 106.8° | 106.4° |
| OAT | SBA | OBC | 108.1° | 123.1° |
| CAU | CAV | CAW | 119.0° | 120.2° |
| CAV | CAU | HAU | 120.1° | 120.1° |
| CAU | CAV | HAV | 120.5° | 119.9° |
| CAW | CAV | HAV | 120.5° | 119.9° |
| CAV | CAW | HAW | 118.5° | 119.9° |
| SAY | CAZ | SBA | 123.2° | 126.1° |
| CAZ | SBA | NBB | 107.0° | 107.3° |
| CAZ | SBA | OBC | 107.9° | 106.4° |
| NBB | SBA | OBC | 111.8° | 106.4° |
| SBA | NBB | HNBB | 109.5° | 120.0° |
| SBA | NBB | HNBA | 109.5° | 120.0° |
| HAF | CAF | HAFA | 110.5° | 109.5° |
| HAG | CAG | HAGA | 110.4° | 109.5° |
| HAH | CAH | HAHA | 110.4° | 109.5° |
| HAI | CAI | HAIA | 109.8° | 109.5° |
| HNBB | NBB | HNBA | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | NAB | OAE | ONA | 179.6° | 179.8° |
| OAA | NAB | OAE | CAF | 176.7° | 0.1° |
| NAB | OAE | CAF | CAG | 72.6° | 180.0° |
| NAB | OAE | CAF | HAF | 167.4° | 60.1° |
| NAB | OAE | CAF | HAFA | 47.4° | 59.9° |
| ONA | NAB | OAE | CAF | 2.9° | 179.7° |
| OAC | CAK | OAJ | CAI | 93.2° | 0.0° |
| OAC | CAK | OAJ | CAL | 179.7° | 180.0° |
| OAC | CAK | CAL | CAM | 120.1° | 0.0° |
| OAC | CAK | CAL | CAU | 58.8° | 179.8° |
| OAD | SAO | CAN | CAM | 152.7° | 156.4° |
| OAD | SAO | CAN | NAP | 127.7° | 113.5° |
| OAD | SAO | CAN | OAX | 112.1° | 132.9° |
| OAD | SAO | CAN | CAW | 29.9° | 23.5° |
| OAD | SAO | NAP | OAX | 114.1° | 132.9° |
| OAD | SAO | NAP | CAQ | 41.0° | 48.5° |
| OAD | SAO | NAP | HNAP | 79.0° | 131.4° |
| OAE | CAF | CAG | HAF | 120.0° | 119.9° |
| OAE | CAF | CAG | HAFA | 120.0° | 120.1° |
| OAE | CAF | CAG | CAH | 103.6° | 180.0° |
| OAE | CAF | HAF | HAFA | 118.7° | 120.1° |
| OAE | CAF | CAG | HAG | 136.4° | 60.1° |
| OAE | CAF | CAG | HAGA | 16.4° | 59.9° |
| CAF | CAG | CAH | HAG | 120.0° | 119.9° |
| CAF | CAG | CAH | HAGA | 120.0° | 120.0° |
| CAF | CAG | CAH | CAI | 56.3° | 180.0° |
| CAG | CAF | HAF | HAFA | 118.7° | 120.0° |
| CAF | CAG | HAG | HAGA | 118.8° | 120.0° |
| CAF | CAG | CAH | HAH | 63.7° | 60.1° |
| CAF | CAG | CAH | HAHA | 176.3° | 60.0° |
| CAG | CAH | CAI | HAH | 120.0° | 120.0° |
| CAG | CAH | CAI | HAHA | 120.0° | 120.0° |
| CAG | CAH | CAI | OAJ | 147.4° | 180.0° |
| CAH | CAG | CAF | HAF | 16.4° | 60.0° |
| CAH | CAG | CAF | HAFA | 136.4° | 59.9° |
| CAH | CAG | HAG | HAGA | 118.8° | 120.1° |
| CAG | CAH | HAH | HAHA | 118.7° | 120.1° |
| CAG | CAH | CAI | HAI | 27.4° | 60.1° |
| CAG | CAH | CAI | HAIA | 92.6° | 60.0° |
| CAH | CAI | OAJ | HAI | 120.0° | 120.0° |
| CAH | CAI | OAJ | HAIA | 120.0° | 120.1° |
| CAH | CAI | OAJ | CAK | 101.6° | 180.0° |
| CAI | CAH | CAG | HAG | 176.2° | 60.1° |
| CAI | CAH | CAG | HAGA | 63.7° | 60.0° |
| CAI | CAH | HAH | HAHA | 118.8° | 120.0° |
| CAH | CAI | HAI | HAIA | 119.6° | 120.1° |
| CAI | OAJ | CAK | CAL | 87.1° | 180.0° |
| OAJ | CAI | CAH | HAH | 92.6° | 60.0° |
| OAJ | CAI | CAH | HAHA | 27.4° | 60.0° |
| OAJ | CAI | HAI | HAIA | 119.5° | 120.0° |
| OAJ | CAK | CAL | CAM | 60.2° | 180.0° |
| OAJ | CAK | CAL | CAU | 120.9° | 0.2° |
| CAK | OAJ | CAI | HAI | 138.4° | 60.0° |
| CAK | OAJ | CAI | HAIA | 18.4° | 60.0° |
| CAK | CAL | CAM | CAU | 178.9° | 179.8° |
| CAK | CAL | CAM | CAN | 178.6° | 179.9° |
| CAK | CAL | CAU | CAV | 179.1° | 180.0° |
| CAK | CAL | CAM | HAM | 1.4° | 0.0° |
| CAK | CAL | CAU | HAU | 0.9° | 0.1° |
| CAL | CAM | CAN | HAM | 180.0° | 179.9° |
| CAL | CAM | CAN | SAO | 178.7° | 180.0° |
| CAL | CAM | CAN | CAW | 1.3° | 0.1° |
| CAM | CAL | CAU | CAV | 0.1° | 0.2° |
| CAM | CAL | CAU | HAU | 179.9° | 179.7° |
| CAU | CAL | CAM | CAN | 0.3° | 0.2° |
| CAL | CAU | CAV | HAU | 180.0° | 179.9° |
| CAL | CAU | CAV | CAW | 0.4° | 0.1° |
| CAU | CAL | CAM | HAM | 179.7° | 179.8° |
| CAL | CAU | CAV | HAV | 179.6° | 180.0° |
| CAM | CAN | SAO | CAW | 177.4° | 179.9° |
| CAM | CAN | SAO | NAP | 25.0° | 90.1° |
| CAM | CAN | SAO | OAX | 95.2° | 23.5° |
| CAM | CAN | CAW | CAV | 2.0° | 0.4° |
| CAM | CAN | CAW | HAW | 178.0° | 179.9° |
| CAN | SAO | NAP | OAX | 119.6° | 113.6° |
| CAN | SAO | NAP | CAQ | 167.3° | 65.0° |
| SAO | CAN | CAW | CAV | 179.6° | 179.7° |
| SAO | CAN | CAM | HAM | 1.2° | 0.0° |
| CAN | SAO | NAP | HNAP | 47.2° | 115.0° |
| SAO | CAN | CAW | HAW | 0.4° | 0.0° |
| CAW | CAN | SAO | NAP | 157.6° | 90.0° |
| CAW | CAN | SAO | OAX | 82.2° | 156.4° |
| CAN | CAW | CAV | CAU | 1.5° | 0.4° |
| CAN | CAW | CAV | HAW | 180.0° | 179.7° |
| CAW | CAN | CAM | HAM | 178.7° | 180.0° |
| CAN | CAW | CAV | HAV | 178.5° | 179.7° |
| SAO | NAP | CAQ | HNAP | 120.0° | 180.0° |
| SAO | NAP | CAQ | NAR | 178.2° | 0.1° |
| SAO | NAP | CAQ | SAY | 1.5° | 179.7° |
| OAX | SAO | NAP | CAQ | 73.1° | 178.6° |
| OAX | SAO | NAP | HNAP | 166.8° | 1.5° |
| NAP | CAQ | NAR | SAY | 179.7° | 179.8° |
| NAP | CAQ | NAR | NAS | 179.9° | 180.0° |
| NAP | CAQ | SAY | CAZ | 179.1° | 180.0° |
| CAQ | NAR | NAS | CAZ | 1.3° | 0.1° |
| NAR | CAQ | SAY | CAZ | 0.7° | 0.2° |
| NAR | CAQ | NAP | HNAP | 61.8° | 180.0° |
| SAY | CAQ | NAR | NAS | 0.2° | 0.2° |
| CAQ | SAY | CAZ | NAS | 1.4° | 0.3° |
| CAQ | SAY | CAZ | SBA | 179.6° | 179.9° |
| SAY | CAQ | NAP | HNAP | 118.6° | 0.2° |
| NAR | NAS | CAZ | SAY | 1.7° | 0.2° |
| NAR | NAS | CAZ | SBA | 179.8° | 179.9° |
| NAS | CAZ | SBA | OAT | 64.2° | 83.6° |
| NAS | CAZ | SAY | SBA | 178.2° | 179.8° |
| NAS | CAZ | SBA | NBB | 54.4° | 30.0° |
| NAS | CAZ | SBA | OBC | 174.8° | 143.5° |
| OAT | SBA | CAZ | SAY | 117.9° | 96.2° |
| OAT | SBA | CAZ | NBB | 118.6° | 113.6° |
| OAT | SBA | CAZ | OBC | 120.9° | 132.9° |
| OAT | SBA | NBB | OBC | 118.0° | 132.9° |
| OAT | SBA | NBB | HNBB | 180.0° | 156.4° |
| OAT | SBA | NBB | HNBA | 60.0° | 23.6° |
| CAU | CAV | CAW | HAV | 180.0° | 179.9° |
| CAU | CAV | CAW | HAW | 178.4° | 179.9° |
| CAW | CAV | CAU | HAU | 179.5° | 180.0° |
| SAY | CAZ | SBA | NBB | 123.5° | 150.2° |
| SAY | CAZ | SBA | OBC | 3.0° | 36.7° |
| CAZ | SBA | NBB | OBC | 117.9° | 113.5° |
| CAZ | SBA | NBB | HNBB | 56.0° | 90.0° |
| CAZ | SBA | NBB | HNBA | 64.0° | 90.0° |
| SBA | NBB | HNBB | HNBA | 120.0° | 180.0° |
| OBC | SBA | NBB | HNBB | 61.9° | 23.5° |
| OBC | SBA | NBB | HNBA | 178.0° | 156.5° |
| HAF | CAF | CAG | HAG | 103.6° | 180.0° |
| HAF | CAF | CAG | HAGA | 136.4° | 60.0° |
| HAFA | CAF | CAG | HAG | 16.4° | 60.0° |
| HAFA | CAF | CAG | HAGA | 103.6° | 180.0° |
| HAG | CAG | CAH | HAH | 56.2° | 180.0° |
| HAG | CAG | CAH | HAHA | 63.7° | 59.9° |
| HAGA | CAG | CAH | HAH | 176.3° | 59.9° |
| HAGA | CAG | CAH | HAHA | 56.3° | 180.0° |
| HAH | CAH | CAI | HAI | 147.4° | 180.0° |
| HAH | CAH | CAI | HAIA | 27.4° | 60.0° |
| HAHA | CAH | CAI | HAI | 92.6° | 60.0° |
| HAHA | CAH | CAI | HAIA | 147.4° | 180.0° |
| HAU | CAU | CAV | HAV | 0.4° | 0.1° |
| HAV | CAV | CAW | HAW | 1.5° | 0.0° |
