M5O
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAG | CAY | sing | 1.36Å | 1.36Å | |
CAY | CAK | doub | 1.38Å | 1.36Å | Aromatic |
CAY | CBD | sing | 1.39Å | 1.40Å | Aromatic |
CAK | CAT | sing | 1.39Å | 1.38Å | Aromatic |
CAP | CBD | sing | 1.51Å | 1.50Å | |
CAP | CBE | sing | 1.53Å | 1.52Å | |
CBD | CBC | doub | 1.38Å | 1.38Å | Aromatic |
CAT | OAB | sing | 1.36Å | 1.37Å | |
CAT | CAN | doub | 1.39Å | 1.38Å | Aromatic |
OAQ | CBE | sing | 1.43Å | 1.41Å | |
CBE | CBF | sing | 1.53Å | 1.54Å | |
CBC | CAN | sing | 1.39Å | 1.39Å | Aromatic |
CBC | OAR | sing | 1.36Å | 1.38Å | |
CBF | OAR | sing | 1.43Å | 1.48Å | |
CBF | CBA | sing | 1.51Å | 1.51Å | |
CBA | CAJ | doub | 1.38Å | 1.37Å | Aromatic |
CBA | CAO | sing | 1.38Å | 1.38Å | Aromatic |
CAJ | CAI | sing | 1.38Å | 1.39Å | Aromatic |
CAO | CAV | doub | 1.39Å | 1.38Å | Aromatic |
CAI | CAU | doub | 1.39Å | 1.37Å | Aromatic |
CAV | CAU | sing | 1.39Å | 1.39Å | Aromatic |
CAV | OAD | sing | 1.36Å | 1.37Å | |
CAU | OAC | sing | 1.36Å | 1.37Å | |
OAB | H1 | sing | 0.97Å | 0.95Å | |
CAK | H2 | sing | 1.08Å | 1.08Å | |
OAG | H3 | sing | 0.97Å | 0.95Å | |
CAP | H4 | sing | 1.09Å | 1.10Å | |
CAP | H5 | sing | 1.09Å | 1.10Å | |
CAN | H6 | sing | 1.08Å | 1.08Å | |
CBF | H7 | sing | 1.09Å | 1.10Å | |
CBE | H8 | sing | 1.09Å | 1.10Å | |
OAQ | H9 | sing | 0.97Å | 0.95Å | |
CAO | H10 | sing | 1.08Å | 1.08Å | |
OAD | H11 | sing | 0.97Å | 0.95Å | |
OAC | H12 | sing | 0.97Å | 0.95Å | |
CAI | H13 | sing | 1.08Å | 1.08Å | |
CAJ | H14 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAG | CAY | CAK | 120.9° | 119.9° |
OAG | CAY | CBD | 116.9° | 119.9° |
CAY | OAG | H3 | 109.5° | 114.0° |
CAK | CAY | CBD | 122.1° | 120.3° |
CAY | CAK | CAT | 118.9° | 119.9° |
CAY | CAK | H2 | 120.5° | 120.1° |
CAY | CBD | CAP | 121.2° | 118.7° |
CAY | CBD | CBC | 117.6° | 119.8° |
CAK | CAT | OAB | 119.0° | 120.1° |
CAK | CAT | CAN | 121.0° | 119.9° |
CAT | CAK | H2 | 120.5° | 120.0° |
CBD | CAP | CBE | 112.6° | 109.7° |
CAP | CBD | CBC | 121.0° | 121.4° |
CBD | CAP | H4 | 108.7° | 109.5° |
CBD | CAP | H5 | 108.7° | 109.4° |
CAP | CBE | OAQ | 111.1° | 109.7° |
CAP | CBE | CBF | 108.7° | 108.4° |
CBE | CAP | H4 | 108.7° | 109.5° |
CBE | CAP | H5 | 108.7° | 109.4° |
CAP | CBE | H8 | 108.4° | 109.7° |
CBD | CBC | CAN | 121.4° | 119.8° |
CBD | CBC | OAR | 122.6° | 121.7° |
OAB | CAT | CAN | 119.9° | 120.1° |
CAT | OAB | H1 | 109.5° | 113.9° |
CAT | CAN | CBC | 119.0° | 120.3° |
CAT | CAN | H6 | 120.5° | 119.8° |
OAQ | CBE | CBF | 110.6° | 109.7° |
OAQ | CBE | H8 | 109.9° | 109.7° |
CBE | OAQ | H9 | 109.5° | 114.0° |
CBE | CBF | OAR | 107.7° | 108.4° |
CBE | CBF | CBA | 118.5° | 109.7° |
CBE | CBF | H7 | 107.0° | 109.7° |
CBF | CBE | H8 | 108.2° | 109.7° |
CAN | CBC | OAR | 116.0° | 118.4° |
CBC | CAN | H6 | 120.5° | 119.9° |
CBC | OAR | CBF | 115.0° | 117.9° |
OAR | CBF | CBA | 108.2° | 109.7° |
OAR | CBF | H7 | 107.8° | 109.7° |
CBF | CBA | CAJ | 119.7° | 119.9° |
CBF | CBA | CAO | 120.3° | 119.9° |
CBA | CBF | H7 | 107.3° | 109.7° |
CAJ | CBA | CAO | 120.1° | 120.1° |
CBA | CAJ | CAI | 120.3° | 120.2° |
CBA | CAJ | H14 | 119.8° | 119.9° |
CBA | CAO | CAV | 120.0° | 120.0° |
CBA | CAO | H10 | 120.0° | 120.0° |
CAJ | CAI | CAU | 120.1° | 120.0° |
CAJ | CAI | H13 | 120.0° | 120.0° |
CAI | CAJ | H14 | 119.9° | 119.9° |
CAO | CAV | CAU | 119.6° | 119.9° |
CAO | CAV | OAD | 123.5° | 120.1° |
CAV | CAO | H10 | 120.0° | 120.0° |
CAI | CAU | CAV | 119.7° | 119.9° |
CAI | CAU | OAC | 118.8° | 120.1° |
CAU | CAI | H13 | 119.9° | 120.0° |
CAU | CAV | OAD | 116.8° | 120.1° |
CAV | CAU | OAC | 121.4° | 120.0° |
CAV | OAD | H11 | 109.5° | 114.1° |
CAU | OAC | H12 | 109.5° | 114.0° |
H4 | CAP | H5 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAG | CAY | CAK | CBD | 176.1° | 180.0° |
OAG | CAY | CAK | CAT | 177.6° | 180.0° |
OAG | CAY | CBD | CAP | 7.0° | 0.4° |
OAG | CAY | CBD | CBC | 177.5° | 179.8° |
OAG | CAY | CAK | H2 | 2.4° | 0.0° |
CAY | CAK | CAT | H2 | 180.0° | 180.0° |
CAK | CAY | CBD | CAP | 176.7° | 179.5° |
CAK | CAY | CBD | CBC | 1.2° | 0.3° |
CAY | CAK | CAT | OAB | 179.3° | 179.9° |
CAY | CAK | CAT | CAN | 0.5° | 0.1° |
CAK | CAY | OAG | H3 | 180.0° | 90.0° |
CBD | CAY | CAK | CAT | 1.4° | 0.0° |
CAY | CBD | CAP | CBC | 175.3° | 179.8° |
CAY | CBD | CAP | CBE | 170.1° | 162.3° |
CAY | CBD | CBC | CAN | 0.1° | 0.5° |
CAY | CBD | CBC | OAR | 175.9° | 179.4° |
CBD | CAY | CAK | H2 | 178.5° | 180.0° |
CBD | CAY | OAG | H3 | 3.7° | 90.0° |
CAY | CBD | CAP | H4 | 49.7° | 42.2° |
CAY | CBD | CAP | H5 | 69.4° | 77.7° |
CAK | CAT | OAB | CAN | 179.8° | 179.8° |
CAK | CAT | CAN | CBC | 0.5° | 0.4° |
CAK | CAT | OAB | H1 | 180.0° | 89.8° |
CAK | CAT | CAN | H6 | 179.5° | 179.7° |
CBD | CAP | CBE | H4 | 120.5° | 120.1° |
CBD | CAP | CBE | H5 | 120.5° | 120.0° |
CBD | CAP | CBE | OAQ | 162.4° | 167.9° |
CBD | CAP | CBE | CBF | 40.5° | 48.2° |
CAP | CBD | CBC | CAN | 175.6° | 179.3° |
CAP | CBD | CBC | OAR | 8.7° | 0.8° |
CBD | CAP | H4 | H5 | 118.6° | 119.9° |
CBD | CAP | CBE | H8 | 76.8° | 71.6° |
CBE | CAP | CBD | CBC | 5.1° | 17.9° |
CAP | CBE | OAQ | CBF | 120.7° | 118.9° |
CAP | CBE | OAQ | H8 | 119.9° | 120.5° |
CAP | CBE | CBF | H8 | 117.5° | 119.8° |
CAP | CBE | CBF | OAR | 64.3° | 64.7° |
CAP | CBE | CBF | CBA | 172.6° | 175.6° |
CBE | CAP | H4 | H5 | 118.6° | 119.9° |
CAP | CBE | CBF | H7 | 51.3° | 55.1° |
CAP | CBE | OAQ | H9 | 180.0° | 60.0° |
CBD | CBC | CAN | CAT | 0.7° | 0.6° |
CBD | CBC | CAN | OAR | 176.0° | 179.9° |
CBD | CBC | OAR | CBF | 16.8° | 17.6° |
CBC | CBD | CAP | H4 | 125.6° | 138.0° |
CBC | CBD | CAP | H5 | 115.4° | 102.0° |
CBD | CBC | CAN | H6 | 179.3° | 179.5° |
OAB | CAT | CAN | CBC | 179.7° | 179.8° |
OAB | CAT | CAK | H2 | 0.8° | 0.1° |
OAB | CAT | CAN | H6 | 0.3° | 0.1° |
CAT | CAN | CBC | H6 | 180.0° | 179.9° |
CAT | CAN | CBC | OAR | 175.3° | 179.3° |
CAN | CAT | OAB | H1 | 0.2° | 90.0° |
CAN | CAT | CAK | H2 | 179.4° | 179.9° |
OAQ | CBE | CBF | H8 | 120.4° | 120.5° |
OAQ | CBE | CBF | OAR | 173.5° | 175.6° |
OAQ | CBE | CBF | CBA | 50.5° | 55.9° |
OAQ | CBE | CAP | H4 | 77.1° | 72.0° |
OAQ | CBE | CAP | H5 | 41.9° | 47.9° |
OAQ | CBE | CBF | H7 | 70.9° | 64.6° |
CBE | CBF | OAR | CBC | 52.9° | 49.3° |
CBE | CBF | OAR | CBA | 129.2° | 119.7° |
CBE | CBF | OAR | H7 | 115.1° | 119.7° |
CBE | CBF | CBA | H7 | 121.1° | 120.6° |
CBE | CBF | CBA | CAJ | 112.5° | 78.9° |
CBE | CBF | CBA | CAO | 67.3° | 101.4° |
CBF | CBE | CAP | H4 | 161.0° | 168.3° |
CBF | CBE | CAP | H5 | 79.9° | 71.8° |
CBF | CBE | OAQ | H9 | 59.2° | 178.9° |
CAN | CBC | OAR | CBF | 159.1° | 162.5° |
CBC | OAR | CBF | CBA | 177.9° | 169.1° |
OAR | CBC | CAN | H6 | 4.7° | 0.6° |
CBC | OAR | CBF | H7 | 62.2° | 70.4° |
OAR | CBF | CBA | H7 | 116.0° | 120.5° |
OAR | CBF | CBA | CAJ | 124.7° | 40.0° |
OAR | CBF | CBA | CAO | 55.6° | 139.7° |
OAR | CBF | CBE | H8 | 53.1° | 55.1° |
CBF | CBA | CAJ | CAO | 179.8° | 179.7° |
CBF | CBA | CAJ | CAI | 179.7° | 179.7° |
CBF | CBA | CAO | CAV | 176.8° | 180.0° |
CBA | CBF | CBE | H8 | 69.9° | 64.6° |
CBF | CBA | CAO | H10 | 3.2° | 0.0° |
CBF | CBA | CAJ | H14 | 0.3° | 0.0° |
CBA | CAJ | CAI | H14 | 180.0° | 179.7° |
CAJ | CBA | CAO | CAV | 3.5° | 0.3° |
CBA | CAJ | CAI | CAU | 1.0° | 0.5° |
CAJ | CBA | CBF | H7 | 8.6° | 160.5° |
CAJ | CBA | CAO | H10 | 176.6° | 179.7° |
CBA | CAJ | CAI | H13 | 179.0° | 179.7° |
CAO | CBA | CAJ | CAI | 0.5° | 0.5° |
CBA | CAO | CAV | H10 | 180.0° | 180.0° |
CBA | CAO | CAV | CAU | 4.8° | 0.0° |
CBA | CAO | CAV | OAD | 177.2° | 179.9° |
CAO | CBA | CBF | H7 | 171.6° | 19.2° |
CAO | CBA | CAJ | H14 | 179.5° | 179.8° |
CAJ | CAI | CAU | H13 | 180.0° | 179.8° |
CAJ | CAI | CAU | CAV | 0.3° | 0.2° |
CAJ | CAI | CAU | OAC | 178.1° | 179.7° |
CAO | CAV | CAU | CAI | 3.2° | 0.0° |
CAO | CAV | CAU | OAD | 178.1° | 179.9° |
CAO | CAV | CAU | OAC | 179.1° | 179.9° |
CAO | CAV | OAD | H11 | 180.0° | 90.0° |
CAI | CAU | CAV | OAC | 177.7° | 179.9° |
CAI | CAU | CAV | OAD | 178.7° | 179.9° |
CAI | CAU | OAC | H12 | 180.0° | 89.9° |
CAU | CAI | CAJ | H14 | 178.9° | 179.8° |
CAU | CAV | CAO | H10 | 175.2° | 180.0° |
CAU | CAV | OAD | H11 | 2.0° | 89.9° |
CAV | CAU | OAC | H12 | 2.2° | 90.0° |
CAV | CAU | CAI | H13 | 179.7° | 179.9° |
OAD | CAV | CAU | OAC | 1.0° | 0.0° |
OAD | CAV | CAO | H10 | 2.7° | 0.1° |
OAC | CAU | CAI | H13 | 1.9° | 0.1° |
H4 | CAP | CBE | H8 | 43.7° | 48.5° |
H5 | CAP | CBE | H8 | 162.7° | 168.4° |
H7 | CBF | CBE | H8 | 168.8° | 174.8° |
H8 | CBE | OAQ | H9 | 60.1° | 60.5° |
H13 | CAI | CAJ | H14 | 1.0° | 0.0° |