085
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAR | CAN | sing | 1.44Å | 1.44Å | |
| OAR | CAY | sing | 1.37Å | 1.36Å | |
| CAN | OAS | sing | 1.44Å | 1.42Å | |
| CAY | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAY | CAZ | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| OAS | CAZ | sing | 1.37Å | 1.37Å | |
| CAZ | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAW | doub | 1.40Å | 1.40Å | Aromatic |
| CAE | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | NAO | sing | 1.32Å | 1.35Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.40Å | Aromatic |
| NAO | CAX | doub | 1.33Å | 1.36Å | Aromatic |
| CAM | CAW | sing | 1.40Å | 1.40Å | Aromatic |
| CAW | CBB | sing | 1.48Å | 1.42Å | |
| CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAX | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAX | CBC | sing | 1.48Å | 1.41Å | |
| CBB | CBC | doub | 1.39Å | 1.40Å | Aromatic |
| CBB | NAP | sing | 1.37Å | 1.34Å | Aromatic |
| CBC | NAQ | sing | 1.34Å | 1.34Å | Aromatic |
| NAP | CBA | sing | 1.37Å | 1.34Å | Aromatic |
| NAQ | CBA | doub | 1.31Å | 1.33Å | Aromatic |
| CBA | CAV | sing | 1.48Å | 1.40Å | |
| CAV | CAI | doub | 1.40Å | 1.40Å | Aromatic |
| CAV | CAJ | sing | 1.40Å | 1.40Å | Aromatic |
| CAI | CAG | sing | 1.37Å | 1.40Å | Aromatic |
| CAJ | CAH | doub | 1.37Å | 1.40Å | Aromatic |
| CAG | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAH | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAU | CAT | sing | 1.48Å | 1.53Å | |
| CAT | NAA | sing | 1.35Å | 1.33Å | |
| CAT | OAB | doub | 1.22Å | 1.24Å | |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAN | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.08Å | 1.08Å | |
| CAK | H4 | sing | 1.08Å | 1.08Å | |
| NAP | H5 | sing | 0.97Å | 1.00Å | |
| CAJ | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| NAA | H10 | sing | 0.97Å | 1.00Å | |
| NAA | H11 | sing | 0.97Å | 1.00Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAD | H14 | sing | 1.08Å | 1.08Å | |
| CAC | H15 | sing | 1.08Å | 1.08Å | |
| CAE | H16 | sing | 1.08Å | 1.08Å | |
| CAN | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | OAR | CAY | 106.3° | 105.5° |
| OAR | CAN | OAS | 107.5° | 103.8° |
| OAR | CAN | H2 | 110.1° | 110.5° |
| OAR | CAN | H17 | 110.1° | 110.7° |
| OAR | CAY | CAL | 131.3° | 131.3° |
| OAR | CAY | CAZ | 109.0° | 108.6° |
| CAN | OAS | CAZ | 106.5° | 105.5° |
| OAS | CAN | H2 | 110.1° | 110.6° |
| OAS | CAN | H17 | 110.1° | 110.6° |
| CAL | CAY | CAZ | 119.7° | 120.1° |
| CAY | CAL | CAK | 119.7° | 120.2° |
| CAY | CAL | H3 | 120.1° | 119.9° |
| CAY | CAZ | OAS | 109.8° | 108.6° |
| CAY | CAZ | CAM | 120.1° | 120.0° |
| CAL | CAK | CAW | 121.3° | 120.0° |
| CAK | CAL | H3 | 120.2° | 119.9° |
| CAL | CAK | H4 | 119.3° | 120.0° |
| OAS | CAZ | CAM | 130.2° | 131.4° |
| CAZ | CAM | CAW | 121.4° | 119.9° |
| CAZ | CAM | H1 | 119.3° | 120.1° |
| CAK | CAW | CAM | 117.8° | 119.8° |
| CAK | CAW | CBB | 123.2° | 120.1° |
| CAW | CAK | H4 | 119.4° | 120.0° |
| CAC | CAE | NAO | 121.0° | 120.9° |
| CAE | CAC | CAD | 118.3° | 119.4° |
| CAE | CAC | H15 | 120.9° | 120.3° |
| CAC | CAE | H16 | 119.5° | 119.5° |
| CAE | NAO | CAX | 121.7° | 121.6° |
| NAO | CAE | H16 | 119.5° | 119.6° |
| CAC | CAD | CAF | 119.5° | 118.6° |
| CAC | CAD | H14 | 120.2° | 120.7° |
| CAD | CAC | H15 | 120.9° | 120.3° |
| NAO | CAX | CAF | 119.2° | 120.5° |
| NAO | CAX | CBC | 122.7° | 119.7° |
| CAM | CAW | CBB | 118.8° | 120.1° |
| CAW | CAM | H1 | 119.3° | 120.0° |
| CAW | CBB | CBC | 130.8° | 126.8° |
| CAW | CBB | NAP | 123.1° | 126.8° |
| CAD | CAF | CAX | 120.3° | 119.0° |
| CAD | CAF | H13 | 119.8° | 120.5° |
| CAF | CAD | H14 | 120.3° | 120.7° |
| CAF | CAX | CBC | 118.0° | 119.8° |
| CAX | CAF | H13 | 119.8° | 120.5° |
| CAX | CBC | CBB | 128.8° | 126.1° |
| CAX | CBC | NAQ | 124.3° | 126.1° |
| CBC | CBB | NAP | 106.0° | 106.4° |
| CBB | CBC | NAQ | 106.8° | 107.8° |
| CBB | NAP | CBA | 110.3° | 107.2° |
| CBB | NAP | H5 | 124.8° | 126.4° |
| CBC | NAQ | CBA | 109.5° | 109.5° |
| NAP | CBA | NAQ | 107.4° | 109.1° |
| NAP | CBA | CAV | 125.5° | 125.4° |
| CBA | NAP | H5 | 124.9° | 126.4° |
| NAQ | CBA | CAV | 127.0° | 125.4° |
| CBA | CAV | CAI | 119.9° | 120.0° |
| CBA | CAV | CAJ | 121.2° | 120.0° |
| CAI | CAV | CAJ | 119.0° | 120.0° |
| CAV | CAI | CAG | 120.7° | 120.0° |
| CAV | CAI | H8 | 119.7° | 120.0° |
| CAV | CAJ | CAH | 120.3° | 120.0° |
| CAV | CAJ | H6 | 119.9° | 120.0° |
| CAI | CAG | CAU | 120.2° | 120.0° |
| CAG | CAI | H8 | 119.7° | 120.0° |
| CAI | CAG | H9 | 119.9° | 120.0° |
| CAJ | CAH | CAU | 120.4° | 120.0° |
| CAH | CAJ | H6 | 119.9° | 120.0° |
| CAJ | CAH | H7 | 119.8° | 120.0° |
| CAG | CAU | CAH | 119.5° | 120.0° |
| CAG | CAU | CAT | 120.5° | 120.0° |
| CAU | CAG | H9 | 119.9° | 120.0° |
| CAH | CAU | CAT | 120.0° | 120.0° |
| CAU | CAH | H7 | 119.8° | 120.0° |
| CAU | CAT | NAA | 114.7° | 120.0° |
| CAU | CAT | OAB | 121.3° | 120.0° |
| NAA | CAT | OAB | 124.0° | 120.0° |
| CAT | NAA | H10 | 120.0° | 120.0° |
| CAT | NAA | H11 | 120.0° | 120.0° |
| H2 | CAN | H17 | 108.8° | 110.5° |
| H10 | NAA | H11 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAR | CAN | OAS | H2 | 120.0° | 118.5° |
| OAR | CAN | OAS | H17 | 120.0° | 118.7° |
| CAN | OAR | CAY | CAL | 174.1° | 162.6° |
| CAN | OAR | CAY | CAZ | 5.6° | 17.3° |
| OAR | CAN | OAS | CAZ | 9.6° | 27.2° |
| OAR | CAN | H2 | H17 | 120.8° | 122.9° |
| CAY | OAR | CAN | OAS | 9.5° | 27.2° |
| OAR | CAY | CAL | CAZ | 179.7° | 179.9° |
| OAR | CAY | CAL | CAK | 179.3° | 179.9° |
| OAR | CAY | CAZ | OAS | 0.4° | 0.0° |
| OAR | CAY | CAZ | CAM | 179.8° | 180.0° |
| CAY | OAR | CAN | H2 | 110.5° | 91.4° |
| OAR | CAY | CAL | H3 | 0.7° | 0.2° |
| CAY | OAR | CAN | H17 | 129.5° | 145.8° |
| CAN | OAS | CAZ | CAY | 6.3° | 17.4° |
| CAN | OAS | CAZ | CAM | 173.9° | 162.7° |
| OAS | CAN | H2 | H17 | 120.8° | 122.8° |
| CAY | CAL | CAK | H3 | 180.0° | 179.9° |
| CAL | CAY | CAZ | OAS | 179.9° | 179.9° |
| CAL | CAY | CAZ | CAM | 0.1° | 0.1° |
| CAY | CAL | CAK | CAW | 0.4° | 0.0° |
| CAY | CAL | CAK | H4 | 179.6° | 179.9° |
| CAZ | CAY | CAL | CAK | 0.4° | 0.1° |
| CAY | CAZ | OAS | CAM | 179.8° | 179.9° |
| CAY | CAZ | CAM | CAW | 1.4° | 0.1° |
| CAY | CAZ | CAM | H1 | 178.6° | 179.7° |
| CAZ | CAY | CAL | H3 | 179.6° | 180.0° |
| CAL | CAK | CAW | H4 | 180.0° | 180.0° |
| CAL | CAK | CAW | CAM | 1.7° | 0.0° |
| CAL | CAK | CAW | CBB | 176.3° | 179.7° |
| OAS | CAZ | CAM | CAW | 178.8° | 180.0° |
| OAS | CAZ | CAM | H1 | 1.2° | 0.2° |
| CAZ | OAS | CAN | H2 | 110.3° | 91.3° |
| CAZ | OAS | CAN | H17 | 129.6° | 145.9° |
| CAZ | CAM | CAW | CAK | 2.2° | 0.0° |
| CAZ | CAM | CAW | H1 | 180.0° | 179.8° |
| CAZ | CAM | CAW | CBB | 177.0° | 179.8° |
| CAK | CAW | CAM | CBB | 174.8° | 179.7° |
| CAK | CAW | CBB | CBC | 34.7° | 45.3° |
| CAK | CAW | CBB | NAP | 140.9° | 135.0° |
| CAK | CAW | CAM | H1 | 177.8° | 179.8° |
| CAW | CAK | CAL | H3 | 179.6° | 179.9° |
| CAC | CAE | NAO | H16 | 180.0° | 179.7° |
| CAE | CAC | CAD | H15 | 180.0° | 180.0° |
| CAC | CAE | NAO | CAX | 1.3° | 0.5° |
| CAE | CAC | CAD | CAF | 0.8° | 0.0° |
| CAE | CAC | CAD | H14 | 179.2° | 180.0° |
| NAO | CAE | CAC | CAD | 0.5° | 0.3° |
| CAE | NAO | CAX | CAF | 2.4° | 0.5° |
| CAE | NAO | CAX | CBC | 178.2° | 179.8° |
| NAO | CAE | CAC | H15 | 179.5° | 179.7° |
| CAC | CAD | CAF | H14 | 180.0° | 180.0° |
| CAC | CAD | CAF | CAX | 2.0° | 0.0° |
| CAC | CAD | CAF | H13 | 178.0° | 180.0° |
| CAD | CAC | CAE | H16 | 179.5° | 180.0° |
| NAO | CAX | CAF | CAD | 2.8° | 0.2° |
| NAO | CAX | CAF | CBC | 175.9° | 179.7° |
| NAO | CAX | CBC | CBB | 38.1° | 25.3° |
| NAO | CAX | CBC | NAQ | 140.0° | 154.9° |
| NAO | CAX | CAF | H13 | 177.2° | 179.8° |
| CAX | NAO | CAE | H16 | 178.7° | 179.8° |
| CAM | CAW | CBB | CBC | 150.8° | 135.0° |
| CAM | CAW | CBB | NAP | 33.6° | 44.7° |
| CAM | CAW | CAK | H4 | 178.3° | 180.0° |
| CAW | CBB | CBC | CAX | 5.0° | 0.0° |
| CAW | CBB | CBC | NAP | 176.2° | 179.8° |
| CAW | CBB | CBC | NAQ | 176.6° | 179.9° |
| CAW | CBB | NAP | CBA | 177.4° | 180.0° |
| CBB | CAW | CAM | H1 | 3.0° | 0.1° |
| CBB | CAW | CAK | H4 | 3.7° | 0.2° |
| CAW | CBB | NAP | H5 | 2.6° | 0.0° |
| CAD | CAF | CAX | H13 | 180.0° | 179.9° |
| CAD | CAF | CAX | CBC | 178.7° | 180.0° |
| CAF | CAD | CAC | H15 | 179.1° | 180.0° |
| CAF | CAX | CBC | CBB | 146.1° | 155.0° |
| CAF | CAX | CBC | NAQ | 35.8° | 24.8° |
| CAX | CAF | CAD | H14 | 178.0° | 180.0° |
| CAX | CBC | CBB | NAQ | 178.4° | 179.9° |
| CAX | CBC | CBB | NAP | 178.8° | 179.8° |
| CAX | CBC | NAQ | CBA | 178.4° | 179.7° |
| CBC | CAX | CAF | H13 | 1.3° | 0.1° |
| CBC | CBB | NAP | CBA | 0.8° | 0.2° |
| CBB | CBC | NAQ | CBA | 0.1° | 0.4° |
| CBC | CBB | NAP | H5 | 179.2° | 179.8° |
| NAP | CBB | CBC | NAQ | 0.4° | 0.4° |
| CBB | NAP | CBA | H5 | 180.0° | 180.0° |
| CBB | NAP | CBA | NAQ | 0.9° | 0.0° |
| CBB | NAP | CBA | CAV | 179.5° | 180.0° |
| CBC | NAQ | CBA | NAP | 0.6° | 0.3° |
| CBC | NAQ | CBA | CAV | 179.8° | 179.8° |
| NAP | CBA | NAQ | CAV | 179.6° | 180.0° |
| NAP | CBA | CAV | CAI | 9.7° | 180.0° |
| NAP | CBA | CAV | CAJ | 171.4° | 0.4° |
| NAQ | CBA | CAV | CAI | 169.8° | 0.0° |
| NAQ | CBA | CAV | CAJ | 9.0° | 179.7° |
| NAQ | CBA | NAP | H5 | 179.1° | 180.0° |
| CBA | CAV | CAI | CAJ | 178.9° | 179.6° |
| CBA | CAV | CAI | CAG | 179.5° | 180.0° |
| CBA | CAV | CAJ | CAH | 180.0° | 180.0° |
| CAV | CBA | NAP | H5 | 0.5° | 0.0° |
| CBA | CAV | CAJ | H6 | 0.0° | 0.1° |
| CBA | CAV | CAI | H8 | 0.5° | 0.0° |
| CAV | CAI | CAG | H8 | 180.0° | 180.0° |
| CAI | CAV | CAJ | CAH | 1.1° | 0.4° |
| CAV | CAI | CAG | CAU | 0.4° | 0.0° |
| CAI | CAV | CAJ | H6 | 178.9° | 179.7° |
| CAV | CAI | CAG | H9 | 179.6° | 180.0° |
| CAJ | CAV | CAI | CAG | 0.7° | 0.4° |
| CAV | CAJ | CAH | H6 | 180.0° | 179.9° |
| CAV | CAJ | CAH | CAU | 0.6° | 0.0° |
| CAV | CAJ | CAH | H7 | 179.4° | 179.9° |
| CAJ | CAV | CAI | H8 | 179.4° | 179.7° |
| CAI | CAG | CAU | H9 | 180.0° | 180.0° |
| CAI | CAG | CAU | CAH | 0.9° | 0.3° |
| CAI | CAG | CAU | CAT | 179.6° | 180.0° |
| CAJ | CAH | CAU | CAG | 0.5° | 0.3° |
| CAJ | CAH | CAU | H7 | 180.0° | 179.9° |
| CAJ | CAH | CAU | CAT | 180.0° | 180.0° |
| CAG | CAU | CAH | CAT | 179.5° | 179.7° |
| CAG | CAU | CAT | NAA | 35.2° | 0.3° |
| CAG | CAU | CAT | OAB | 146.5° | 179.7° |
| CAG | CAU | CAH | H7 | 179.5° | 179.8° |
| CAU | CAG | CAI | H8 | 179.6° | 180.0° |
| CAH | CAU | CAT | NAA | 145.3° | 180.0° |
| CAH | CAU | CAT | OAB | 33.0° | 0.1° |
| CAU | CAH | CAJ | H6 | 179.4° | 180.0° |
| CAH | CAU | CAG | H9 | 179.1° | 179.7° |
| CAU | CAT | NAA | OAB | 178.3° | 179.9° |
| CAT | CAU | CAH | H7 | 0.0° | 0.1° |
| CAT | CAU | CAG | H9 | 0.5° | 0.0° |
| CAU | CAT | NAA | H10 | 178.3° | 0.0° |
| CAU | CAT | NAA | H11 | 1.7° | 180.0° |
| CAT | NAA | H10 | H11 | 180.0° | 180.0° |
| OAB | CAT | NAA | H10 | 0.0° | 180.0° |
| OAB | CAT | NAA | H11 | 180.0° | 0.0° |
| H3 | CAL | CAK | H4 | 0.4° | 0.0° |
| H6 | CAJ | CAH | H7 | 0.6° | 0.0° |
| H8 | CAI | CAG | H9 | 0.4° | 0.0° |
| H13 | CAF | CAD | H14 | 2.0° | 0.1° |
| H14 | CAD | CAC | H15 | 0.8° | 0.0° |
| H15 | CAC | CAE | H16 | 0.5° | 0.0° |
