0YV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAK | doub | 1.38Å | 1.38Å | Aromatic |
| CAI | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAZ | sing | 1.40Å | 1.38Å | Aromatic |
| CAJ | CAY | doub | 1.40Å | 1.37Å | Aromatic |
| CAZ | CAF | sing | 1.43Å | 1.45Å | |
| CAZ | CAP | doub | 1.39Å | 1.40Å | Aromatic |
| CAY | CAP | sing | 1.40Å | 1.38Å | Aromatic |
| CAY | CAE | sing | 1.43Å | 1.38Å | |
| CAF | CAH | trip | 1.17Å | 0.91Å | |
| CAE | CAG | trip | 1.17Å | 1.30Å | |
| CAH | CBB | sing | 1.43Å | 1.53Å | |
| BRC | CAW | sing | 1.89Å | 1.91Å | |
| BRD | CAX | sing | 1.89Å | 1.86Å | |
| CAM | CBB | doub | 1.40Å | 1.39Å | Aromatic |
| CAM | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CBA | sing | 1.43Å | 1.43Å | |
| CAL | CAW | doub | 1.38Å | 1.38Å | Aromatic |
| CAL | CBA | sing | 1.40Å | 1.37Å | Aromatic |
| CBB | CAR | sing | 1.40Å | 1.39Å | Aromatic |
| CAX | CAO | doub | 1.39Å | 1.37Å | Aromatic |
| CAW | CAN | sing | 1.39Å | 1.36Å | Aromatic |
| CBA | CAQ | doub | 1.40Å | 1.37Å | Aromatic |
| CAR | CBD | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CBD | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CBC | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CBC | sing | 1.38Å | 1.37Å | Aromatic |
| CBD | CAV | sing | 1.51Å | 1.38Å | |
| CBC | CAU | sing | 1.51Å | 1.39Å | |
| CAV | CAT | sing | 1.53Å | 1.53Å | |
| CAU | CAS | sing | 1.53Å | 1.52Å | |
| CAT | NAB | sing | 1.47Å | 1.47Å | |
| CAS | NAA | sing | 1.47Å | 1.48Å | |
| NAA | H1 | sing | 1.01Å | 1.00Å | |
| NAA | H2 | sing | 1.01Å | 1.00Å | |
| CAS | H4 | sing | 1.09Å | 1.10Å | |
| CAS | H5 | sing | 1.09Å | 1.10Å | |
| CAU | H6 | sing | 1.09Å | 1.10Å | |
| CAU | H7 | sing | 1.09Å | 1.10Å | |
| CAQ | H8 | sing | 1.08Å | 1.08Å | |
| CAN | H9 | sing | 1.08Å | 1.08Å | |
| CAL | H10 | sing | 1.08Å | 1.08Å | |
| CAP | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| CAI | H13 | sing | 1.08Å | 1.08Å | |
| CAK | H14 | sing | 1.08Å | 1.08Å | |
| CAR | H15 | sing | 1.08Å | 1.08Å | |
| CAM | H16 | sing | 1.08Å | 1.08Å | |
| CAO | H17 | sing | 1.08Å | 1.08Å | |
| CAV | H18 | sing | 1.09Å | 1.10Å | |
| CAV | H19 | sing | 1.09Å | 1.10Å | |
| CAT | H20 | sing | 1.09Å | 1.10Å | |
| CAT | H21 | sing | 1.09Å | 1.10Å | |
| NAB | H22 | sing | 1.01Å | 1.00Å | |
| NAB | H23 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | CAI | CAJ | 119.3° | 120.3° |
| CAI | CAK | CAZ | 119.5° | 120.2° |
| CAK | CAI | H13 | 120.4° | 119.9° |
| CAI | CAK | H14 | 120.3° | 119.9° |
| CAI | CAJ | CAY | 122.6° | 120.2° |
| CAI | CAJ | H12 | 118.7° | 119.9° |
| CAJ | CAI | H13 | 120.3° | 119.8° |
| CAK | CAZ | CAF | 120.1° | 120.1° |
| CAK | CAZ | CAP | 119.8° | 119.9° |
| CAZ | CAK | H14 | 120.3° | 119.9° |
| CAJ | CAY | CAP | 117.8° | 119.8° |
| CAJ | CAY | CAE | 119.4° | 120.1° |
| CAY | CAJ | H12 | 118.7° | 119.9° |
| CAF | CAZ | CAP | 120.2° | 120.1° |
| CAZ | CAF | CAH | 178.0° | 179.9° |
| CAZ | CAP | CAY | 121.0° | 119.7° |
| CAZ | CAP | H11 | 119.5° | 120.2° |
| CAP | CAY | CAE | 122.8° | 120.1° |
| CAY | CAP | H11 | 119.5° | 120.1° |
| CAY | CAE | CAG | 178.2° | 179.9° |
| CAF | CAH | CBB | 178.7° | 180.0° |
| CAE | CAG | CBA | 177.8° | 180.0° |
| CAH | CBB | CAM | 120.9° | 120.1° |
| CAH | CBB | CAR | 120.4° | 120.2° |
| BRC | CAW | CAL | 120.8° | 119.9° |
| BRC | CAW | CAN | 122.2° | 119.9° |
| BRD | CAX | CAM | 121.4° | 120.0° |
| BRD | CAX | CAO | 119.5° | 119.9° |
| CBB | CAM | CAX | 121.6° | 119.8° |
| CAM | CBB | CAR | 118.7° | 119.7° |
| CBB | CAM | H16 | 119.2° | 120.1° |
| CAM | CAX | CAO | 119.1° | 120.1° |
| CAX | CAM | H16 | 119.2° | 120.0° |
| CAG | CBA | CAL | 122.3° | 120.2° |
| CAG | CBA | CAQ | 121.2° | 120.1° |
| CAW | CAL | CBA | 124.8° | 119.8° |
| CAL | CAW | CAN | 117.0° | 120.1° |
| CAW | CAL | H10 | 117.6° | 120.1° |
| CAL | CBA | CAQ | 116.4° | 119.7° |
| CBA | CAL | H10 | 117.6° | 120.1° |
| CBB | CAR | CBD | 119.7° | 119.8° |
| CBB | CAR | H15 | 120.2° | 120.1° |
| CAX | CAO | CBD | 120.3° | 120.4° |
| CAX | CAO | H17 | 119.8° | 119.8° |
| CAW | CAN | CBC | 120.1° | 120.3° |
| CAW | CAN | H9 | 119.9° | 119.8° |
| CBA | CAQ | CBC | 121.1° | 119.9° |
| CBA | CAQ | H8 | 119.4° | 120.1° |
| CAR | CBD | CAO | 120.6° | 120.2° |
| CAR | CBD | CAV | 120.5° | 119.9° |
| CBD | CAR | H15 | 120.2° | 120.1° |
| CAO | CBD | CAV | 118.9° | 119.9° |
| CBD | CAO | H17 | 119.9° | 119.9° |
| CAN | CBC | CAQ | 120.6° | 120.2° |
| CAN | CBC | CAU | 121.4° | 119.9° |
| CBC | CAN | H9 | 120.0° | 119.8° |
| CAQ | CBC | CAU | 118.0° | 119.9° |
| CBC | CAQ | H8 | 119.5° | 120.1° |
| CBD | CAV | CAT | 110.1° | 109.4° |
| CBD | CAV | H18 | 109.3° | 109.4° |
| CBD | CAV | H19 | 109.3° | 109.4° |
| CBC | CAU | CAS | 110.9° | 109.5° |
| CBC | CAU | H6 | 109.1° | 109.4° |
| CBC | CAU | H7 | 109.1° | 109.5° |
| CAV | CAT | NAB | 116.5° | 109.4° |
| CAT | CAV | H18 | 109.3° | 109.5° |
| CAT | CAV | H19 | 109.3° | 109.5° |
| CAV | CAT | H20 | 107.7° | 109.5° |
| CAV | CAT | H21 | 107.7° | 109.5° |
| CAU | CAS | NAA | 113.7° | 109.5° |
| CAU | CAS | H4 | 108.4° | 109.5° |
| CAU | CAS | H5 | 108.4° | 109.5° |
| CAS | CAU | H6 | 109.1° | 109.5° |
| CAS | CAU | H7 | 109.1° | 109.5° |
| NAB | CAT | H20 | 107.7° | 109.5° |
| NAB | CAT | H21 | 107.7° | 109.5° |
| CAT | NAB | H22 | 109.5° | 111.0° |
| CAT | NAB | H23 | 109.5° | 111.0° |
| CAS | NAA | H1 | 109.5° | 111.0° |
| CAS | NAA | H2 | 109.5° | 111.0° |
| NAA | CAS | H4 | 108.4° | 109.5° |
| NAA | CAS | H5 | 108.4° | 109.4° |
| H1 | NAA | H2 | 109.5° | 111.0° |
| H4 | CAS | H5 | 109.5° | 109.4° |
| H6 | CAU | H7 | 109.4° | 109.5° |
| H18 | CAV | H19 | 109.5° | 109.5° |
| H20 | CAT | H21 | 109.5° | 109.5° |
| H22 | NAB | H23 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAI | CAJ | H13 | 180.0° | 179.7° |
| CAI | CAK | CAZ | H14 | 180.0° | 179.7° |
| CAK | CAI | CAJ | CAY | 1.9° | 0.0° |
| CAI | CAK | CAZ | CAF | 179.4° | 180.0° |
| CAI | CAK | CAZ | CAP | 0.3° | 0.6° |
| CAK | CAI | CAJ | H12 | 178.1° | 180.0° |
| CAJ | CAI | CAK | CAZ | 1.2° | 0.3° |
| CAI | CAJ | CAY | H12 | 180.0° | 180.0° |
| CAI | CAJ | CAY | CAP | 1.6° | 0.0° |
| CAI | CAJ | CAY | CAE | 179.2° | 179.7° |
| CAJ | CAI | CAK | H14 | 178.8° | 180.0° |
| CAK | CAZ | CAF | CAP | 179.0° | 179.4° |
| CAK | CAZ | CAP | CAY | 0.1° | 0.6° |
| CAK | CAZ | CAF | CAH | 143.3° | 123.4° |
| CAK | CAZ | CAP | H11 | 180.0° | 179.4° |
| CAZ | CAK | CAI | H13 | 178.8° | 180.0° |
| CAJ | CAY | CAP | CAZ | 0.7° | 0.2° |
| CAJ | CAY | CAP | CAE | 179.2° | 179.8° |
| CAJ | CAY | CAE | CAG | 5.7° | 24.6° |
| CAJ | CAY | CAP | H11 | 179.4° | 179.7° |
| CAY | CAJ | CAI | H13 | 178.1° | 179.7° |
| CAF | CAZ | CAP | CAY | 179.1° | 180.0° |
| CAZ | CAF | CAH | CBB | 23.8° | 140.8° |
| CAF | CAZ | CAP | H11 | 0.9° | 0.1° |
| CAF | CAZ | CAK | H14 | 0.7° | 0.2° |
| CAZ | CAP | CAY | H11 | 180.0° | 180.0° |
| CAZ | CAP | CAY | CAE | 179.9° | 180.0° |
| CAP | CAZ | CAF | CAH | 37.6° | 56.0° |
| CAP | CAZ | CAK | H14 | 179.7° | 179.7° |
| CAP | CAY | CAE | CAG | 173.5° | 155.1° |
| CAP | CAY | CAJ | H12 | 178.4° | 179.9° |
| CAY | CAE | CAG | CBA | 1.8° | 164.5° |
| CAE | CAY | CAP | H11 | 0.1° | 0.0° |
| CAE | CAY | CAJ | H12 | 0.8° | 0.3° |
| CAF | CAH | CBB | CAM | 164.9° | 96.1° |
| CAF | CAH | CBB | CAR | 15.2° | 84.2° |
| CAE | CAG | CBA | CAL | 5.7° | 139.6° |
| CAE | CAG | CBA | CAQ | 175.0° | 40.0° |
| CAH | CBB | CAM | CAR | 179.9° | 179.7° |
| CAH | CBB | CAM | CAX | 179.3° | 180.0° |
| CAH | CBB | CAR | CBD | 179.0° | 180.0° |
| CAH | CBB | CAR | H15 | 1.0° | 0.0° |
| CAH | CBB | CAM | H16 | 0.7° | 0.1° |
| BRC | CAW | CAL | CAN | 179.1° | 180.0° |
| BRC | CAW | CAL | CBA | 178.9° | 179.7° |
| BRC | CAW | CAN | CBC | 179.4° | 180.0° |
| BRC | CAW | CAN | H9 | 0.6° | 0.0° |
| BRC | CAW | CAL | H10 | 1.1° | 0.0° |
| BRD | CAX | CAM | CBB | 179.7° | 180.0° |
| BRD | CAX | CAM | CAO | 179.4° | 180.0° |
| BRD | CAX | CAO | CBD | 179.7° | 179.7° |
| BRD | CAX | CAM | H16 | 0.3° | 0.0° |
| BRD | CAX | CAO | H17 | 0.3° | 0.0° |
| CBB | CAM | CAX | H16 | 180.0° | 179.9° |
| CBB | CAM | CAX | CAO | 0.3° | 0.0° |
| CAM | CBB | CAR | CBD | 1.1° | 0.3° |
| CAM | CBB | CAR | H15 | 178.9° | 179.7° |
| CAX | CAM | CBB | CAR | 0.7° | 0.3° |
| CAM | CAX | CAO | CBD | 0.3° | 0.2° |
| CAM | CAX | CAO | H17 | 179.7° | 180.0° |
| CAG | CBA | CAL | CAW | 179.3° | 180.0° |
| CAG | CBA | CAL | CAQ | 179.4° | 179.7° |
| CAG | CBA | CAQ | CBC | 178.5° | 179.7° |
| CAG | CBA | CAQ | H8 | 1.5° | 0.3° |
| CAG | CBA | CAL | H10 | 0.7° | 0.3° |
| CAW | CAL | CBA | H10 | 180.0° | 179.7° |
| CAW | CAL | CBA | CAQ | 0.1° | 0.4° |
| CAL | CAW | CAN | CBC | 0.3° | 0.0° |
| CAL | CAW | CAN | H9 | 179.7° | 180.0° |
| CBA | CAL | CAW | CAN | 0.3° | 0.4° |
| CAL | CBA | CAQ | CBC | 0.9° | 0.1° |
| CAL | CBA | CAQ | H8 | 179.1° | 179.9° |
| CBB | CAR | CBD | H15 | 180.0° | 180.0° |
| CBB | CAR | CBD | CAO | 1.1° | 0.0° |
| CBB | CAR | CBD | CAV | 179.1° | 180.0° |
| CAR | CBB | CAM | H16 | 179.2° | 179.7° |
| CAX | CAO | CBD | CAR | 0.7° | 0.2° |
| CAX | CAO | CBD | H17 | 180.0° | 179.7° |
| CAX | CAO | CBD | CAV | 179.5° | 179.7° |
| CAO | CAX | CAM | H16 | 179.7° | 179.9° |
| CAW | CAN | CBC | H9 | 180.0° | 180.0° |
| CAW | CAN | CBC | CAQ | 1.1° | 0.2° |
| CAW | CAN | CBC | CAU | 179.7° | 180.0° |
| CAN | CAW | CAL | H10 | 179.8° | 180.0° |
| CBA | CAQ | CBC | CAN | 1.4° | 0.2° |
| CBA | CAQ | CBC | H8 | 180.0° | 180.0° |
| CBA | CAQ | CBC | CAU | 179.9° | 180.0° |
| CAQ | CBA | CAL | H10 | 179.9° | 180.0° |
| CAR | CBD | CAO | CAV | 179.8° | 180.0° |
| CAR | CBD | CAV | CAT | 104.8° | 90.0° |
| CAR | CBD | CAO | H17 | 179.3° | 180.0° |
| CAR | CBD | CAV | H18 | 15.3° | 150.0° |
| CAR | CBD | CAV | H19 | 135.2° | 30.0° |
| CAO | CBD | CAV | CAT | 75.4° | 90.0° |
| CAO | CBD | CAR | H15 | 178.9° | 180.0° |
| CAO | CBD | CAV | H18 | 164.5° | 30.0° |
| CAO | CBD | CAV | H19 | 44.7° | 150.0° |
| CAN | CBC | CAQ | CAU | 178.7° | 179.8° |
| CAN | CBC | CAU | CAS | 13.1° | 90.2° |
| CAN | CBC | CAU | H6 | 107.2° | 149.7° |
| CAN | CBC | CAU | H7 | 133.3° | 29.8° |
| CAN | CBC | CAQ | H8 | 178.6° | 179.8° |
| CAQ | CBC | CAU | CAS | 168.3° | 90.0° |
| CAQ | CBC | CAU | H6 | 71.5° | 30.0° |
| CAQ | CBC | CAU | H7 | 48.0° | 150.0° |
| CAQ | CBC | CAN | H9 | 178.9° | 179.7° |
| CBD | CAV | CAT | H18 | 120.1° | 120.0° |
| CBD | CAV | CAT | H19 | 120.1° | 120.0° |
| CBD | CAV | CAT | NAB | 110.2° | 180.0° |
| CAV | CBD | CAR | H15 | 0.9° | 0.0° |
| CAV | CBD | CAO | H17 | 0.5° | 0.0° |
| CBD | CAV | H18 | H19 | 119.8° | 120.0° |
| CBD | CAV | CAT | H20 | 128.8° | 60.0° |
| CBD | CAV | CAT | H21 | 10.8° | 60.0° |
| CBC | CAU | CAS | H6 | 120.2° | 120.0° |
| CBC | CAU | CAS | H7 | 120.2° | 120.0° |
| CBC | CAU | CAS | NAA | 141.6° | 180.0° |
| CBC | CAU | CAS | H4 | 97.8° | 60.0° |
| CBC | CAU | CAS | H5 | 21.0° | 60.0° |
| CBC | CAU | H6 | H7 | 119.3° | 120.0° |
| CAU | CBC | CAQ | H8 | 0.1° | 0.0° |
| CAU | CBC | CAN | H9 | 0.2° | 0.0° |
| CAV | CAT | NAB | H20 | 121.0° | 120.0° |
| CAV | CAT | NAB | H21 | 121.0° | 120.0° |
| CAT | CAV | H18 | H19 | 119.7° | 120.1° |
| CAV | CAT | H20 | H21 | 116.8° | 120.0° |
| CAV | CAT | NAB | H22 | 180.0° | 56.0° |
| CAV | CAT | NAB | H23 | 60.0° | 180.0° |
| CAU | CAS | NAA | H4 | 120.7° | 120.1° |
| CAU | CAS | NAA | H5 | 120.6° | 120.0° |
| CAU | CAS | NAA | H1 | 180.0° | 180.0° |
| CAU | CAS | NAA | H2 | 60.0° | 56.0° |
| CAU | CAS | H4 | H5 | 118.1° | 120.0° |
| CAS | CAU | H6 | H7 | 119.4° | 120.0° |
| NAB | CAT | CAV | H18 | 9.8° | 60.0° |
| NAB | CAT | CAV | H19 | 129.7° | 60.0° |
| NAB | CAT | H20 | H21 | 116.8° | 120.0° |
| CAT | NAB | H22 | H23 | 120.0° | 123.9° |
| CAS | NAA | H1 | H2 | 120.0° | 123.9° |
| NAA | CAS | H4 | H5 | 118.1° | 120.0° |
| NAA | CAS | CAU | H6 | 21.4° | 60.0° |
| NAA | CAS | CAU | H7 | 98.2° | 60.0° |
| H1 | NAA | CAS | H4 | 59.4° | 59.9° |
| H1 | NAA | CAS | H5 | 59.4° | 60.0° |
| H2 | NAA | CAS | H4 | 179.4° | 64.0° |
| H2 | NAA | CAS | H5 | 60.6° | 176.0° |
| H4 | CAS | CAU | H6 | 142.0° | 180.0° |
| H4 | CAS | CAU | H7 | 22.5° | 60.0° |
| H5 | CAS | CAU | H6 | 99.2° | 60.0° |
| H5 | CAS | CAU | H7 | 141.2° | NaN° |
| H12 | CAJ | CAI | H13 | 1.9° | 0.3° |
| H13 | CAI | CAK | H14 | 1.2° | 0.3° |
| H18 | CAV | CAT | H20 | 111.2° | 180.0° |
| H18 | CAV | CAT | H21 | 130.9° | 60.0° |
| H19 | CAV | CAT | H20 | 8.7° | 59.9° |
| H19 | CAV | CAT | H21 | 109.3° | 180.0° |
| H20 | CAT | NAB | H22 | 59.0° | 63.9° |
| H20 | CAT | NAB | H23 | 179.0° | 60.0° |
| H21 | CAT | NAB | H22 | 59.0° | 176.0° |
| H21 | CAT | NAB | H23 | 61.0° | 60.0° |






