9EO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OBB | CBA | sing | 1.43Å | 1.40Å | |
| CBA | CAZ | sing | 1.53Å | 1.51Å | |
| CAL | CAK | doub | 1.38Å | 1.51Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.34Å | Aromatic |
| CAK | CAJ | sing | 1.38Å | 1.34Å | Aromatic |
| CBD | CBE | doub | 1.38Å | 1.51Å | Aromatic |
| CBD | CBC | sing | 1.38Å | 1.34Å | Aromatic |
| CAZ | CBC | sing | 1.51Å | 1.51Å | |
| CAZ | NAY | sing | 1.46Å | 1.43Å | |
| CBE | CBF | sing | 1.38Å | 1.35Å | Aromatic |
| CBC | CBH | doub | 1.38Å | 1.50Å | Aromatic |
| CBF | CBG | doub | 1.38Å | 1.50Å | Aromatic |
| CBH | CBG | sing | 1.38Å | 1.34Å | Aromatic |
| CAM | CAH | doub | 1.40Å | 1.51Å | Aromatic |
| CAJ | CAI | doub | 1.38Å | 1.51Å | Aromatic |
| NAY | CAW | sing | 1.35Å | 1.41Å | |
| CAH | CAI | sing | 1.40Å | 1.35Å | Aromatic |
| CAH | CAF | sing | 1.48Å | 1.51Å | |
| CAW | OAX | doub | 1.22Å | 1.21Å | |
| CAW | CAT | sing | 1.48Å | 1.50Å | |
| NAD | CAC | sing | 1.33Å | 1.39Å | Aromatic |
| NAD | CAE | doub | 1.32Å | 1.37Å | Aromatic |
| CAC | CAB | doub | 1.36Å | 1.38Å | Aromatic |
| CAS | CAT | doub | 1.39Å | 1.43Å | Aromatic |
| CAS | CAN | sing | 1.39Å | 1.34Å | Aromatic |
| CAT | CAU | sing | 1.40Å | 1.46Å | Aromatic |
| CAF | CAE | sing | 1.47Å | 1.52Å | |
| CAF | CAG | doub | 1.39Å | 1.54Å | |
| CAE | NAA | sing | 1.37Å | 1.39Å | Aromatic |
| CAB | NAA | sing | 1.36Å | 1.37Å | Aromatic |
| CAN | CAG | sing | 1.48Å | 1.39Å | |
| CAN | CAO | doub | 1.41Å | 1.49Å | Aromatic |
| CAG | CAQ | sing | 1.47Å | 1.36Å | |
| CAU | CAV | doub | 1.38Å | 1.42Å | Aromatic |
| CAO | CAV | sing | 1.39Å | 1.34Å | Aromatic |
| CAO | NAP | sing | 1.39Å | 1.48Å | |
| CAQ | NAP | sing | 1.34Å | 1.29Å | |
| CAQ | OAR | doub | 1.22Å | 1.38Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAI | H3 | sing | 1.08Å | 1.08Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAK | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| CAM | H7 | sing | 1.08Å | 1.08Å | |
| CAS | H8 | sing | 1.08Å | 1.08Å | |
| CAU | H9 | sing | 1.08Å | 1.08Å | |
| CAV | H10 | sing | 1.08Å | 1.08Å | |
| CAZ | H11 | sing | 1.09Å | 1.10Å | |
| CBA | H12 | sing | 1.09Å | 1.10Å | |
| CBA | H13 | sing | 1.09Å | 1.10Å | |
| CBD | H14 | sing | 1.08Å | 1.08Å | |
| CBE | H15 | sing | 1.08Å | 1.08Å | |
| CBF | H16 | sing | 1.08Å | 1.08Å | |
| CBG | H17 | sing | 1.08Å | 1.08Å | |
| CBH | H18 | sing | 1.08Å | 1.08Å | |
| NAA | H19 | sing | 0.97Å | 1.00Å | |
| NAP | H21 | sing | 0.97Å | 1.00Å | |
| NAY | H22 | sing | 0.97Å | 1.00Å | |
| OBB | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OBB | CBA | CAZ | 105.5° | 109.5° |
| OBB | CBA | H12 | 110.5° | 109.5° |
| OBB | CBA | H13 | 110.4° | 109.4° |
| CBA | OBB | H23 | 109.5° | 114.1° |
| CBA | CAZ | CBC | 108.2° | 109.4° |
| CBA | CAZ | NAY | 108.2° | 109.4° |
| CBA | CAZ | H11 | 109.0° | 109.5° |
| CAZ | CBA | H12 | 110.4° | 109.5° |
| CAZ | CBA | H13 | 110.5° | 109.5° |
| CAK | CAL | CAM | 120.1° | 120.1° |
| CAL | CAK | CAJ | 120.3° | 120.4° |
| CAL | CAK | H5 | 119.9° | 119.8° |
| CAK | CAL | H6 | 120.0° | 119.9° |
| CAL | CAM | CAH | 119.5° | 119.9° |
| CAM | CAL | H6 | 120.0° | 119.9° |
| CAL | CAM | H7 | 120.2° | 120.1° |
| CAK | CAJ | CAI | 119.9° | 120.1° |
| CAK | CAJ | H4 | 120.0° | 120.0° |
| CAJ | CAK | H5 | 119.8° | 119.8° |
| CBE | CBD | CBC | 119.7° | 120.0° |
| CBD | CBE | CBF | 120.4° | 120.0° |
| CBE | CBD | H14 | 120.2° | 120.0° |
| CBD | CBE | H15 | 119.8° | 120.0° |
| CBD | CBC | CAZ | 120.3° | 120.0° |
| CBD | CBC | CBH | 119.7° | 120.0° |
| CBC | CBD | H14 | 120.1° | 120.0° |
| CBC | CAZ | NAY | 112.2° | 109.5° |
| CAZ | CBC | CBH | 120.0° | 120.0° |
| CBC | CAZ | H11 | 109.1° | 109.5° |
| CAZ | NAY | CAW | 122.6° | 120.0° |
| NAY | CAZ | H11 | 110.1° | 109.5° |
| CAZ | NAY | H22 | 118.7° | 120.0° |
| CBE | CBF | CBG | 119.8° | 120.0° |
| CBF | CBE | H15 | 119.8° | 120.0° |
| CBE | CBF | H16 | 120.1° | 120.0° |
| CBC | CBH | CBG | 120.9° | 120.0° |
| CBC | CBH | H18 | 119.6° | 120.0° |
| CBF | CBG | CBH | 119.5° | 120.0° |
| CBG | CBF | H16 | 120.1° | 120.0° |
| CBF | CBG | H17 | 120.3° | 120.0° |
| CBH | CBG | H17 | 120.2° | 120.0° |
| CBG | CBH | H18 | 119.5° | 120.0° |
| CAM | CAH | CAI | 120.6° | 119.7° |
| CAM | CAH | CAF | 119.1° | 120.2° |
| CAH | CAM | H7 | 120.2° | 120.0° |
| CAJ | CAI | CAH | 119.7° | 119.8° |
| CAJ | CAI | H3 | 120.1° | 120.1° |
| CAI | CAJ | H4 | 120.1° | 119.9° |
| NAY | CAW | OAX | 121.9° | 120.0° |
| NAY | CAW | CAT | 119.3° | 120.0° |
| CAW | NAY | H22 | 118.7° | 120.0° |
| CAI | CAH | CAF | 120.4° | 120.1° |
| CAH | CAI | H3 | 120.1° | 120.1° |
| CAH | CAF | CAE | 113.7° | 120.0° |
| CAH | CAF | CAG | 121.0° | 120.0° |
| OAX | CAW | CAT | 118.8° | 120.0° |
| CAW | CAT | CAS | 121.2° | 120.1° |
| CAW | CAT | CAU | 118.4° | 120.1° |
| CAC | NAD | CAE | 107.9° | 109.2° |
| NAD | CAC | CAB | 108.2° | 108.4° |
| NAD | CAC | H2 | 125.9° | 125.8° |
| NAD | CAE | CAF | 123.7° | 125.9° |
| NAD | CAE | NAA | 107.9° | 108.3° |
| CAC | CAB | NAA | 107.7° | 107.1° |
| CAC | CAB | H1 | 126.1° | 126.4° |
| CAB | CAC | H2 | 125.9° | 125.8° |
| CAT | CAS | CAN | 119.6° | 119.6° |
| CAS | CAT | CAU | 120.4° | 119.8° |
| CAT | CAS | H8 | 120.2° | 120.2° |
| CAS | CAN | CAG | 139.2° | 133.2° |
| CAS | CAN | CAO | 119.2° | 120.5° |
| CAN | CAS | H8 | 120.2° | 120.2° |
| CAT | CAU | CAV | 118.2° | 120.5° |
| CAT | CAU | H9 | 120.9° | 119.7° |
| CAE | CAF | CAG | 125.1° | 120.0° |
| CAF | CAE | NAA | 128.4° | 125.9° |
| CAF | CAG | CAN | 120.2° | 127.4° |
| CAF | CAG | CAQ | 123.4° | 127.5° |
| CAE | NAA | CAB | 108.4° | 107.0° |
| CAE | NAA | H19 | 125.8° | 126.5° |
| NAA | CAB | H1 | 126.2° | 126.5° |
| CAB | NAA | H19 | 125.8° | 126.5° |
| CAG | CAN | CAO | 101.6° | 106.3° |
| CAN | CAG | CAQ | 116.4° | 105.1° |
| CAN | CAO | CAV | 122.1° | 119.3° |
| CAN | CAO | NAP | 103.8° | 109.1° |
| CAG | CAQ | NAP | 105.7° | 108.1° |
| CAG | CAQ | OAR | 131.5° | 126.0° |
| CAU | CAV | CAO | 119.7° | 120.3° |
| CAV | CAU | H9 | 120.9° | 119.7° |
| CAU | CAV | H10 | 120.1° | 119.8° |
| CAV | CAO | NAP | 134.1° | 131.6° |
| CAO | CAV | H10 | 120.2° | 119.8° |
| CAO | NAP | CAQ | 112.6° | 111.5° |
| CAO | NAP | H21 | 123.7° | 124.3° |
| NAP | CAQ | OAR | 122.8° | 126.0° |
| CAQ | NAP | H21 | 123.7° | 124.3° |
| H12 | CBA | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBB | CBA | CAZ | H12 | 119.4° | 120.1° |
| OBB | CBA | CAZ | H13 | 119.4° | 120.0° |
| OBB | CBA | CAZ | CBC | 174.7° | 54.9° |
| OBB | CBA | CAZ | NAY | 63.5° | 65.0° |
| OBB | CBA | CAZ | H11 | 56.2° | 175.0° |
| OBB | CBA | H12 | H13 | 121.8° | 120.0° |
| CBA | CAZ | CBC | CBD | 102.7° | 79.7° |
| CBA | CAZ | CBC | NAY | 119.3° | 119.9° |
| CBA | CAZ | CBC | H11 | 118.4° | 120.0° |
| CBA | CAZ | NAY | H11 | 119.0° | 120.0° |
| CBA | CAZ | CBC | CBH | 76.5° | 100.1° |
| CBA | CAZ | NAY | CAW | 150.2° | 85.0° |
| CAZ | CBA | H12 | H13 | 121.8° | 120.0° |
| CBA | CAZ | NAY | H22 | 29.9° | 95.0° |
| CAZ | CBA | OBB | H23 | 180.0° | 180.0° |
| CAK | CAL | CAM | H6 | 180.0° | 179.6° |
| CAL | CAK | CAJ | H5 | 180.0° | 179.9° |
| CAK | CAL | CAM | CAH | 0.5° | 0.7° |
| CAL | CAK | CAJ | CAI | 0.2° | 0.0° |
| CAL | CAK | CAJ | H4 | 179.8° | 180.0° |
| CAK | CAL | CAM | H7 | 179.5° | 180.0° |
| CAM | CAL | CAK | CAJ | 0.4° | 0.4° |
| CAL | CAM | CAH | H7 | 180.0° | 179.3° |
| CAL | CAM | CAH | CAI | 0.4° | 0.6° |
| CAL | CAM | CAH | CAF | 179.9° | 179.6° |
| CAM | CAL | CAK | H5 | 179.6° | 179.7° |
| CAK | CAJ | CAI | H4 | 180.0° | 180.0° |
| CAK | CAJ | CAI | CAH | 0.1° | 0.0° |
| CAK | CAJ | CAI | H3 | 179.9° | 179.9° |
| CAJ | CAK | CAL | H6 | 179.6° | 180.0° |
| CBE | CBD | CBC | H14 | 180.0° | 179.9° |
| CBE | CBD | CBC | CAZ | 179.8° | 180.0° |
| CBD | CBE | CBF | H15 | 180.0° | 180.0° |
| CBE | CBD | CBC | CBH | 1.0° | 0.2° |
| CBD | CBE | CBF | CBG | 1.1° | 0.1° |
| CBD | CBE | CBF | H16 | 178.9° | 180.0° |
| CBD | CBC | CAZ | CBH | 179.2° | 179.8° |
| CBD | CBC | CAZ | NAY | 138.0° | 40.2° |
| CBC | CBD | CBE | CBF | 0.1° | 0.1° |
| CBD | CBC | CBH | CBG | 1.1° | 0.5° |
| CBD | CBC | CAZ | H11 | 15.7° | 160.3° |
| CBC | CBD | CBE | H15 | 179.9° | 180.0° |
| CBD | CBC | CBH | H18 | 179.0° | 179.7° |
| CBC | CAZ | NAY | H11 | 121.7° | 120.1° |
| CAZ | CBC | CBH | CBG | 179.7° | 179.7° |
| CBC | CAZ | NAY | CAW | 90.6° | 155.0° |
| CBC | CAZ | CBA | H12 | 66.0° | 175.0° |
| CBC | CAZ | CBA | H13 | 55.3° | 65.0° |
| CAZ | CBC | CBD | H14 | 0.2° | 0.0° |
| CAZ | CBC | CBH | H18 | 0.2° | 0.1° |
| CBC | CAZ | NAY | H22 | 89.4° | 24.9° |
| NAY | CAZ | CBC | CBH | 42.8° | 140.0° |
| CAZ | NAY | CAW | H22 | 180.0° | 179.9° |
| CAZ | NAY | CAW | OAX | 1.6° | 0.0° |
| CAZ | NAY | CAW | CAT | 179.6° | 180.0° |
| NAY | CAZ | CBA | H12 | 55.9° | 55.0° |
| NAY | CAZ | CBA | H13 | 177.1° | 175.0° |
| CBE | CBF | CBG | H16 | 180.0° | 179.9° |
| CBE | CBF | CBG | CBH | 1.1° | 0.3° |
| CBF | CBE | CBD | H14 | 179.9° | 180.0° |
| CBE | CBF | CBG | H17 | 179.0° | 180.0° |
| CBC | CBH | CBG | CBF | 0.0° | 0.5° |
| CBC | CBH | CBG | H18 | 180.0° | 179.8° |
| CBH | CBC | CAZ | H11 | 165.1° | 19.9° |
| CBH | CBC | CBD | H14 | 179.0° | 179.8° |
| CBC | CBH | CBG | H17 | 180.0° | 179.8° |
| CBF | CBG | CBH | H17 | 180.0° | 179.8° |
| CBG | CBF | CBE | H15 | 178.9° | 180.0° |
| CBF | CBG | CBH | H18 | 180.0° | 179.7° |
| CBH | CBG | CBF | H16 | 179.0° | 179.8° |
| CAM | CAH | CAI | CAJ | 0.2° | 0.3° |
| CAM | CAH | CAI | CAF | 179.7° | 179.7° |
| CAM | CAH | CAF | CAE | 76.9° | 114.7° |
| CAM | CAH | CAF | CAG | 98.7° | 65.3° |
| CAM | CAH | CAI | H3 | 179.8° | 179.8° |
| CAH | CAM | CAL | H6 | 179.5° | 179.7° |
| CAJ | CAI | CAH | H3 | 180.0° | 179.9° |
| CAJ | CAI | CAH | CAF | 179.9° | 180.0° |
| CAI | CAJ | CAK | H5 | 179.8° | 180.0° |
| NAY | CAW | OAX | CAT | 178.8° | 180.0° |
| NAY | CAW | CAT | CAS | 9.5° | 180.0° |
| NAY | CAW | CAT | CAU | 171.9° | 0.1° |
| CAW | NAY | CAZ | H11 | 31.1° | 34.9° |
| CAI | CAH | CAF | CAE | 103.4° | 65.1° |
| CAI | CAH | CAF | CAG | 80.9° | 115.0° |
| CAH | CAI | CAJ | H4 | 179.9° | 180.0° |
| CAI | CAH | CAM | H7 | 179.6° | 180.0° |
| CAH | CAF | CAE | NAD | 5.3° | 179.4° |
| CAH | CAF | CAE | CAG | 175.4° | 179.9° |
| CAH | CAF | CAE | NAA | 176.1° | 0.1° |
| CAH | CAF | CAG | CAN | 3.5° | 0.3° |
| CAH | CAF | CAG | CAQ | 175.5° | 180.0° |
| CAF | CAH | CAI | H3 | 0.1° | 0.1° |
| CAF | CAH | CAM | H7 | 0.1° | 0.3° |
| OAX | CAW | CAT | CAS | 171.7° | 0.0° |
| OAX | CAW | CAT | CAU | 6.9° | 179.9° |
| OAX | CAW | NAY | H22 | 178.3° | 180.0° |
| CAW | CAT | CAS | CAU | 178.6° | 179.9° |
| CAW | CAT | CAS | CAN | 175.5° | 180.0° |
| CAW | CAT | CAU | CAV | 177.1° | 179.9° |
| CAW | CAT | CAS | H8 | 4.5° | 0.0° |
| CAW | CAT | CAU | H9 | 3.0° | 0.1° |
| CAT | CAW | NAY | H22 | 0.4° | 0.0° |
| NAD | CAC | CAB | H2 | 180.0° | 179.9° |
| CAC | NAD | CAE | CAF | 179.2° | 179.9° |
| CAC | NAD | CAE | NAA | 0.3° | 0.5° |
| NAD | CAC | CAB | NAA | 0.3° | 0.0° |
| NAD | CAC | CAB | H1 | 179.7° | 179.7° |
| CAE | NAD | CAC | CAB | 0.0° | 0.3° |
| NAD | CAE | CAF | NAA | 178.6° | 179.3° |
| NAD | CAE | CAF | CAG | 179.3° | 0.6° |
| NAD | CAE | NAA | CAB | 0.5° | 0.5° |
| CAE | NAD | CAC | H2 | 180.0° | 179.6° |
| NAD | CAE | NAA | H19 | 179.4° | 179.6° |
| CAC | CAB | NAA | CAE | 0.5° | 0.3° |
| CAC | CAB | NAA | H1 | 180.0° | 179.7° |
| CAC | CAB | NAA | H19 | 179.4° | 179.7° |
| CAT | CAS | CAN | H8 | 180.0° | 180.0° |
| CAT | CAS | CAN | CAG | 173.4° | 180.0° |
| CAT | CAS | CAN | CAO | 5.2° | 0.1° |
| CAS | CAT | CAU | CAV | 4.3° | 0.0° |
| CAS | CAT | CAU | H9 | 175.7° | 180.0° |
| CAN | CAS | CAT | CAU | 3.1° | 0.1° |
| CAS | CAN | CAG | CAF | 1.9° | 0.1° |
| CAS | CAN | CAG | CAO | 178.8° | 179.9° |
| CAS | CAN | CAG | CAQ | 179.0° | 179.8° |
| CAS | CAN | CAO | CAV | 0.1° | 0.0° |
| CAS | CAN | CAO | NAP | 179.0° | 180.0° |
| CAT | CAU | CAV | H9 | 180.0° | 180.0° |
| CAT | CAU | CAV | CAO | 9.5° | 0.1° |
| CAU | CAT | CAS | H8 | 176.9° | 179.9° |
| CAT | CAU | CAV | H10 | 170.5° | 179.9° |
| CAF | CAE | NAA | CAB | 179.3° | 179.9° |
| CAE | CAF | CAG | CAN | 171.6° | 179.6° |
| CAE | CAF | CAG | CAQ | 9.4° | 0.0° |
| CAF | CAE | NAA | H19 | 0.7° | 0.1° |
| CAG | CAF | CAE | NAA | 0.7° | 179.9° |
| CAF | CAG | CAN | CAQ | 179.1° | 179.7° |
| CAF | CAG | CAN | CAO | 179.3° | 180.0° |
| CAF | CAG | CAQ | NAP | 179.6° | 179.9° |
| CAF | CAG | CAQ | OAR | 0.0° | 0.0° |
| CAE | NAA | CAB | H19 | 180.0° | 179.9° |
| CAE | NAA | CAB | H1 | 179.5° | 180.0° |
| NAA | CAB | CAC | H2 | 179.7° | 179.9° |
| CAG | CAN | CAO | CAV | 179.2° | 179.9° |
| CAG | CAN | CAO | NAP | 0.1° | 0.0° |
| CAN | CAG | CAQ | NAP | 0.5° | 0.4° |
| CAN | CAG | CAQ | OAR | 179.1° | 179.7° |
| CAG | CAN | CAS | H8 | 6.6° | 0.0° |
| CAO | CAN | CAG | CAQ | 0.2° | 0.3° |
| CAN | CAO | CAV | CAU | 7.7° | 0.1° |
| CAN | CAO | CAV | NAP | 178.8° | 179.9° |
| CAN | CAO | NAP | CAQ | 0.5° | 0.3° |
| CAO | CAN | CAS | H8 | 174.8° | 180.0° |
| CAN | CAO | CAV | H10 | 172.3° | 179.9° |
| CAN | CAO | NAP | H21 | 179.6° | 179.9° |
| CAG | CAQ | NAP | CAO | 0.6° | 0.4° |
| CAG | CAQ | NAP | OAR | 179.7° | 179.9° |
| CAG | CAQ | NAP | H21 | 179.4° | 179.9° |
| CAU | CAV | CAO | H10 | 180.0° | 179.9° |
| CAU | CAV | CAO | NAP | 171.1° | 180.0° |
| CAV | CAO | NAP | CAQ | 179.4° | 179.8° |
| CAO | CAV | CAU | H9 | 170.5° | 179.9° |
| CAV | CAO | NAP | H21 | 0.6° | 0.1° |
| CAO | NAP | CAQ | H21 | 180.0° | 179.7° |
| CAO | NAP | CAQ | OAR | 179.1° | 179.7° |
| NAP | CAO | CAV | H10 | 8.9° | 0.1° |
| OAR | CAQ | NAP | H21 | 0.9° | 0.0° |
| H1 | CAB | CAC | H2 | 0.3° | 0.4° |
| H1 | CAB | NAA | H19 | 0.6° | 0.1° |
| H3 | CAI | CAJ | H4 | 0.1° | 0.1° |
| H4 | CAJ | CAK | H5 | 0.3° | 0.1° |
| H5 | CAK | CAL | H6 | 0.4° | 0.1° |
| H6 | CAL | CAM | H7 | 0.5° | 0.4° |
| H9 | CAU | CAV | H10 | 9.5° | 0.1° |
| H11 | CAZ | CBA | H12 | 175.6° | 65.0° |
| H11 | CAZ | CBA | H13 | 63.2° | 55.0° |
| H11 | CAZ | NAY | H22 | 148.9° | 145.0° |
| H12 | CBA | OBB | H23 | 60.6° | 60.0° |
| H13 | CBA | OBB | H23 | 60.6° | 60.0° |
| H14 | CBD | CBE | H15 | 0.1° | 0.0° |
| H15 | CBE | CBF | H16 | 1.1° | 0.0° |
| H16 | CBF | CBG | H17 | 1.0° | 0.0° |
| H17 | CBG | CBH | H18 | 0.0° | 0.1° |
