0BC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | SAU | sing | 1.71Å | 1.67Å | Aromatic |
| CAG | NAN | doub | 1.29Å | 1.34Å | Aromatic |
| SAU | CAH | sing | 1.76Å | 1.69Å | Aromatic |
| NAN | CBB | sing | 1.32Å | 1.35Å | Aromatic |
| CBB | CAH | doub | 1.35Å | 1.34Å | Aromatic |
| CBB | CAZ | sing | 1.48Å | 1.34Å | |
| NAQ | NAS | doub | 1.29Å | 1.27Å | Aromatic |
| NAQ | CBE | sing | 1.34Å | 1.33Å | Aromatic |
| NAS | NAO | sing | 1.29Å | 1.33Å | Aromatic |
| CAK | CAZ | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | CBA | sing | 1.39Å | 1.39Å | Aromatic |
| CAZ | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CBE | CBA | sing | 1.49Å | 1.34Å | |
| CBE | NAP | doub | 1.32Å | 1.33Å | Aromatic |
| CBA | CAJ | doub | 1.39Å | 1.41Å | Aromatic |
| NAO | NAP | sing | 1.29Å | 1.28Å | Aromatic |
| CAI | CAY | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAY | sing | 1.39Å | 1.40Å | Aromatic |
| CAY | CAW | sing | 1.48Å | 1.42Å | |
| CAW | OAD | doub | 1.22Å | 1.24Å | |
| CAW | NAR | sing | 1.35Å | 1.35Å | |
| NAR | CBC | sing | 1.40Å | 1.36Å | |
| CAA | CAM | sing | 1.53Å | 1.53Å | |
| OAT | CBD | sing | 1.36Å | 1.37Å | |
| OAT | CAM | sing | 1.43Å | 1.43Å | |
| CBC | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CBC | CBD | sing | 1.40Å | 1.40Å | Aromatic |
| CAL | CAX | sing | 1.40Å | 1.40Å | Aromatic |
| CBD | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAB | CAV | sing | 1.51Å | 1.53Å | |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAX | CAE | doub | 1.40Å | 1.40Å | Aromatic |
| CAX | CAV | sing | 1.47Å | 1.40Å | |
| CAV | OAC | doub | 1.21Å | 1.23Å | |
| 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 | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAE | H7 | sing | 1.08Å | 1.08Å | |
| CAF | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAI | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| CAK | H13 | sing | 1.08Å | 1.08Å | |
| CAL | H14 | sing | 1.08Å | 1.08Å | |
| CAM | H15 | sing | 1.09Å | 1.10Å | |
| CAM | H16 | sing | 1.09Å | 1.10Å | |
| NAO | H17 | sing | 0.97Å | 1.00Å | |
| NAR | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SAU | CAG | NAN | 107.2° | 110.5° |
| CAG | SAU | CAH | 95.8° | 90.4° |
| SAU | CAG | H9 | 126.4° | 124.8° |
| CAG | NAN | CBB | 115.2° | 117.1° |
| NAN | CAG | H9 | 126.4° | 124.7° |
| SAU | CAH | CBB | 106.4° | 107.8° |
| SAU | CAH | H10 | 126.8° | 126.1° |
| NAN | CBB | CAH | 115.4° | 114.1° |
| NAN | CBB | CAZ | 121.6° | 123.0° |
| CAH | CBB | CAZ | 123.1° | 122.9° |
| CBB | CAH | H10 | 126.8° | 126.1° |
| CBB | CAZ | CAK | 119.9° | 120.0° |
| CBB | CAZ | CAI | 120.9° | 120.0° |
| NAS | NAQ | CBE | 106.9° | 107.3° |
| NAQ | NAS | NAO | 108.8° | 108.9° |
| NAQ | CBE | CBA | 125.1° | 126.7° |
| NAQ | CBE | NAP | 108.7° | 106.6° |
| NAS | NAO | NAP | 109.2° | 109.3° |
| NAS | NAO | H17 | 125.4° | 125.4° |
| CAZ | CAK | CBA | 120.1° | 120.0° |
| CAK | CAZ | CAI | 119.3° | 120.0° |
| CAZ | CAK | H13 | 119.9° | 120.0° |
| CAK | CBA | CBE | 118.0° | 120.0° |
| CAK | CBA | CAJ | 120.0° | 120.1° |
| CBA | CAK | H13 | 119.9° | 120.0° |
| CAZ | CAI | CAY | 121.8° | 120.0° |
| CAZ | CAI | H11 | 119.1° | 120.0° |
| CBA | CBE | NAP | 126.2° | 126.7° |
| CBE | CBA | CAJ | 122.0° | 120.0° |
| CBE | NAP | NAO | 106.4° | 107.8° |
| CBA | CAJ | CAY | 120.3° | 119.9° |
| CBA | CAJ | H12 | 119.9° | 120.0° |
| NAP | NAO | H17 | 125.4° | 125.3° |
| CAI | CAY | CAJ | 118.4° | 120.0° |
| CAI | CAY | CAW | 119.1° | 120.0° |
| CAY | CAI | H11 | 119.1° | 120.0° |
| CAJ | CAY | CAW | 122.4° | 120.0° |
| CAY | CAJ | H12 | 119.8° | 120.0° |
| CAY | CAW | OAD | 119.6° | 120.0° |
| CAY | CAW | NAR | 116.9° | 120.0° |
| OAD | CAW | NAR | 123.4° | 120.0° |
| CAW | NAR | CBC | 120.6° | 120.0° |
| CAW | NAR | H18 | 119.7° | 120.0° |
| NAR | CBC | CAL | 123.6° | 120.0° |
| NAR | CBC | CBD | 117.4° | 120.0° |
| CBC | NAR | H18 | 119.7° | 120.0° |
| CAA | CAM | OAT | 110.0° | 109.5° |
| CAM | CAA | H1 | 109.5° | 109.5° |
| CAM | CAA | H2 | 109.4° | 109.5° |
| CAM | CAA | H3 | 109.5° | 109.5° |
| CAA | CAM | H15 | 109.3° | 109.5° |
| CAA | CAM | H16 | 109.3° | 109.5° |
| CBD | OAT | CAM | 112.1° | 117.0° |
| OAT | CBD | CBC | 117.3° | 119.9° |
| OAT | CBD | CAF | 122.2° | 119.9° |
| OAT | CAM | H15 | 109.4° | 109.5° |
| OAT | CAM | H16 | 109.3° | 109.5° |
| CAL | CBC | CBD | 119.0° | 120.0° |
| CBC | CAL | CAX | 120.8° | 119.8° |
| CBC | CAL | H14 | 119.6° | 120.1° |
| CBC | CBD | CAF | 120.5° | 120.2° |
| CAL | CAX | CAE | 119.3° | 119.8° |
| CAL | CAX | CAV | 121.4° | 120.1° |
| CAX | CAL | H14 | 119.6° | 120.1° |
| CBD | CAF | CAE | 120.1° | 120.2° |
| CBD | CAF | H8 | 120.0° | 119.9° |
| CAB | CAV | CAX | 117.4° | 120.0° |
| CAB | CAV | OAC | 120.0° | 120.0° |
| CAV | CAB | H4 | 109.5° | 109.5° |
| CAV | CAB | H5 | 109.5° | 109.5° |
| CAV | CAB | H6 | 109.5° | 109.5° |
| CAF | CAE | CAX | 120.3° | 120.0° |
| CAF | CAE | H7 | 119.8° | 120.0° |
| CAE | CAF | H8 | 120.0° | 119.9° |
| CAE | CAX | CAV | 119.3° | 120.1° |
| CAX | CAE | H7 | 119.8° | 120.0° |
| CAX | CAV | OAC | 122.6° | 120.0° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.4° | 109.5° |
| H15 | CAM | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SAU | CAG | NAN | H9 | 180.0° | 179.8° |
| SAU | CAG | NAN | CBB | 0.6° | 0.0° |
| CAG | SAU | CAH | CBB | 0.1° | 0.0° |
| CAG | SAU | CAH | H10 | 179.8° | 180.0° |
| NAN | CAG | SAU | CAH | 0.4° | 0.0° |
| CAG | NAN | CBB | CAH | 0.6° | 0.0° |
| CAG | NAN | CBB | CAZ | 179.4° | 180.0° |
| SAU | CAH | CBB | NAN | 0.2° | 0.0° |
| SAU | CAH | CBB | H10 | 180.0° | 180.0° |
| SAU | CAH | CBB | CAZ | 179.0° | 179.9° |
| CAH | SAU | CAG | H9 | 179.6° | 179.8° |
| NAN | CBB | CAH | CAZ | 178.8° | 179.9° |
| NAN | CBB | CAZ | CAK | 7.1° | 0.0° |
| NAN | CBB | CAZ | CAI | 173.3° | 179.9° |
| CBB | NAN | CAG | H9 | 179.4° | 179.8° |
| NAN | CBB | CAH | H10 | 179.8° | 180.0° |
| CAH | CBB | CAZ | CAK | 171.6° | 179.9° |
| CAH | CBB | CAZ | CAI | 8.0° | 0.0° |
| CBB | CAZ | CAK | CAI | 179.6° | 179.9° |
| CBB | CAZ | CAK | CBA | 179.7° | 179.4° |
| CBB | CAZ | CAI | CAY | 179.2° | 180.0° |
| CAZ | CBB | CAH | H10 | 1.1° | 0.1° |
| CBB | CAZ | CAI | H11 | 0.8° | 0.2° |
| CBB | CAZ | CAK | H13 | 0.3° | 0.0° |
| NAS | NAQ | CBE | CBA | 179.1° | 180.0° |
| NAS | NAQ | CBE | NAP | 1.0° | 0.2° |
| NAQ | NAS | NAO | NAP | 0.4° | 0.0° |
| NAQ | NAS | NAO | H17 | 179.6° | 179.9° |
| CBE | NAQ | NAS | NAO | 0.9° | 0.1° |
| NAQ | CBE | CBA | CAK | 4.0° | 0.2° |
| NAQ | CBE | CBA | NAP | 177.7° | 179.7° |
| NAQ | CBE | CBA | CAJ | 176.3° | 178.9° |
| NAQ | CBE | NAP | NAO | 0.8° | 0.3° |
| NAS | NAO | NAP | CBE | 0.3° | 0.2° |
| NAS | NAO | NAP | H17 | 180.0° | 179.9° |
| CAZ | CAK | CBA | H13 | 180.0° | 179.4° |
| CAZ | CAK | CBA | CBE | 179.7° | 180.0° |
| CAZ | CAK | CBA | CAJ | 0.1° | 0.9° |
| CAK | CAZ | CAI | CAY | 1.2° | 0.1° |
| CAK | CAZ | CAI | H11 | 178.8° | 179.8° |
| CBA | CAK | CAZ | CAI | 0.1° | 0.6° |
| CAK | CBA | CBE | CAJ | 179.8° | 179.1° |
| CAK | CBA | CBE | NAP | 173.8° | 180.0° |
| CAK | CBA | CAJ | CAY | 0.8° | 0.6° |
| CAK | CBA | CAJ | H12 | 179.2° | 179.4° |
| CAZ | CAI | CAY | H11 | 180.0° | 179.8° |
| CAZ | CAI | CAY | CAJ | 2.2° | 0.2° |
| CAZ | CAI | CAY | CAW | 178.0° | 179.8° |
| CAI | CAZ | CAK | H13 | 179.9° | 180.0° |
| CBA | CBE | NAP | NAO | 178.9° | 180.0° |
| CBE | CBA | CAJ | CAY | 179.4° | 179.7° |
| CBE | CBA | CAJ | H12 | 0.6° | 0.3° |
| CBE | CBA | CAK | H13 | 0.4° | 0.6° |
| NAP | CBE | CBA | CAJ | 6.0° | 0.8° |
| CBE | NAP | NAO | H17 | 179.7° | 179.9° |
| CBA | CAJ | CAY | CAI | 1.9° | 0.0° |
| CBA | CAJ | CAY | H12 | 180.0° | 180.0° |
| CBA | CAJ | CAY | CAW | 177.6° | 179.9° |
| CAJ | CBA | CAK | H13 | 179.9° | 179.7° |
| CAI | CAY | CAJ | CAW | 175.6° | 180.0° |
| CAI | CAY | CAW | OAD | 31.2° | 0.0° |
| CAI | CAY | CAW | NAR | 152.7° | 180.0° |
| CAI | CAY | CAJ | H12 | 178.1° | 180.0° |
| CAJ | CAY | CAW | OAD | 144.4° | 180.0° |
| CAJ | CAY | CAW | NAR | 31.7° | 0.0° |
| CAJ | CAY | CAI | H11 | 177.9° | 179.9° |
| CAY | CAW | OAD | NAR | 175.8° | 180.0° |
| CAY | CAW | NAR | CBC | 176.3° | 175.6° |
| CAW | CAY | CAI | H11 | 2.1° | 0.0° |
| CAW | CAY | CAJ | H12 | 2.4° | 0.0° |
| CAY | CAW | NAR | H18 | 3.6° | 4.5° |
| OAD | CAW | NAR | CBC | 0.4° | 4.5° |
| OAD | CAW | NAR | H18 | 179.6° | 175.5° |
| CAW | NAR | CBC | H18 | 180.0° | 180.0° |
| CAW | NAR | CBC | CAL | 50.2° | 34.6° |
| CAW | NAR | CBC | CBD | 131.8° | 145.6° |
| NAR | CBC | CBD | OAT | 1.6° | 0.2° |
| NAR | CBC | CAL | CBD | 177.9° | 179.8° |
| NAR | CBC | CAL | CAX | 178.5° | 180.0° |
| NAR | CBC | CBD | CAF | 179.3° | 180.0° |
| NAR | CBC | CAL | H14 | 1.5° | 0.1° |
| CAA | CAM | OAT | CBD | 168.2° | 180.0° |
| CAA | CAM | OAT | H15 | 120.1° | 120.0° |
| CAA | CAM | OAT | H16 | 120.1° | 120.1° |
| CAM | CAA | H1 | H2 | 120.0° | 120.1° |
| CAM | CAA | H1 | H3 | 120.0° | 120.0° |
| CAM | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAM | H15 | H16 | 119.8° | 120.0° |
| OAT | CBD | CBC | CAL | 179.6° | 179.9° |
| OAT | CBD | CBC | CAF | 179.1° | 179.7° |
| OAT | CBD | CAF | CAE | 179.1° | 179.7° |
| OAT | CBD | CAF | H8 | 0.9° | 0.3° |
| CBD | OAT | CAM | H15 | 48.1° | 60.0° |
| CBD | OAT | CAM | H16 | 71.7° | 60.0° |
| CAM | OAT | CBD | CBC | 176.1° | 180.0° |
| CAM | OAT | CBD | CAF | 4.8° | 0.3° |
| OAT | CAM | CAA | H1 | 180.0° | 180.0° |
| OAT | CAM | CAA | H2 | 60.0° | 60.0° |
| OAT | CAM | CAA | H3 | 60.0° | 60.0° |
| OAT | CAM | H15 | H16 | 119.7° | 120.0° |
| CBC | CAL | CAX | H14 | 180.0° | 179.9° |
| CAL | CBC | CBD | CAF | 1.2° | 0.2° |
| CBC | CAL | CAX | CAE | 0.6° | 0.1° |
| CBC | CAL | CAX | CAV | 179.1° | 180.0° |
| CAL | CBC | NAR | H18 | 129.8° | 145.3° |
| CBD | CBC | CAL | CAX | 0.6° | 0.2° |
| CBC | CBD | CAF | CAE | 1.8° | 0.0° |
| CBC | CBD | CAF | H8 | 178.2° | 180.0° |
| CBD | CBC | CAL | H14 | 179.4° | 179.7° |
| CBD | CBC | NAR | H18 | 48.2° | 34.5° |
| CAL | CAX | CAV | CAB | 4.8° | 180.0° |
| CAL | CAX | CAE | CAF | 1.3° | 0.3° |
| CAL | CAX | CAE | CAV | 178.4° | 180.0° |
| CAL | CAX | CAV | OAC | 173.2° | 0.0° |
| CAL | CAX | CAE | H7 | 178.7° | 180.0° |
| CBD | CAF | CAE | H8 | 180.0° | 180.0° |
| CBD | CAF | CAE | CAX | 1.9° | 0.3° |
| CBD | CAF | CAE | H7 | 178.1° | 180.0° |
| CAB | CAV | CAX | CAE | 176.8° | 0.0° |
| CAB | CAV | CAX | OAC | 178.1° | 180.0° |
| CAV | CAB | H4 | H5 | 120.0° | 120.0° |
| CAV | CAB | H4 | H6 | 120.0° | 120.0° |
| CAV | CAB | H5 | H6 | 120.0° | 120.0° |
| CAF | CAE | CAX | H7 | 180.0° | 179.7° |
| CAF | CAE | CAX | CAV | 179.7° | 179.7° |
| CAE | CAX | CAV | OAC | 5.2° | 180.0° |
| CAX | CAE | CAF | H8 | 178.2° | 179.8° |
| CAE | CAX | CAL | H14 | 179.3° | 179.9° |
| CAX | CAV | CAB | H4 | 178.1° | 90.0° |
| CAX | CAV | CAB | H5 | 58.1° | 30.0° |
| CAX | CAV | CAB | H6 | 61.9° | 150.0° |
| CAV | CAX | CAE | H7 | 0.3° | 0.0° |
| CAV | CAX | CAL | H14 | 0.9° | 0.1° |
| OAC | CAV | CAB | H4 | 0.0° | 90.0° |
| OAC | CAV | CAB | H5 | 120.0° | 150.0° |
| OAC | CAV | CAB | H6 | 120.0° | 30.0° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H1 | CAA | CAM | H15 | 59.9° | 60.0° |
| H1 | CAA | CAM | H16 | 59.9° | 59.9° |
| H2 | CAA | CAM | H15 | 60.1° | 60.1° |
| H2 | CAA | CAM | H16 | 179.9° | 180.0° |
| H3 | CAA | CAM | H15 | 179.9° | 179.9° |
| H3 | CAA | CAM | H16 | 60.1° | 60.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAE | CAF | H8 | 1.8° | 0.0° |
