8OW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAM | CAB | sing | 1.39Å | 1.32Å | |
| CAB | CAC | doub | 1.38Å | 1.41Å | Aromatic |
| CAB | CAA | sing | 1.40Å | 1.38Å | Aromatic |
| CAC | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| CAA | CAF | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | N1 | doub | 1.34Å | 1.33Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| CAS | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.42Å | 1.38Å | Aromatic |
| C2 | CAK | sing | 1.48Å | 1.35Å | |
| C2 | N3 | doub | 1.33Å | 1.31Å | Aromatic |
| CAK | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | NAL | sing | 1.38Å | 1.32Å | |
| CAO | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| NAL | CAN | sing | 1.46Å | 1.48Å | |
| CAN | CAT | sing | 1.51Å | 1.36Å | |
| CAY | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | CAU | sing | 1.38Å | 1.38Å | Aromatic |
| CAX | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAV | sing | 1.38Å | 1.38Å | Aromatic |
| CAW | FAZ | sing | 1.35Å | 1.19Å | |
| CAU | H1 | sing | 1.08Å | 1.08Å | |
| CAV | H2 | sing | 1.08Å | 1.08Å | |
| CAX | H3 | sing | 1.08Å | 1.08Å | |
| CAY | H4 | sing | 1.08Å | 1.08Å | |
| CAN | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| NAL | H7 | sing | 0.97Å | 1.00Å | |
| CAF | H8 | sing | 1.08Å | 1.08Å | |
| CAA | H9 | sing | 1.08Å | 1.08Å | |
| NAM | H10 | sing | 0.97Å | 1.00Å | |
| NAM | H11 | sing | 0.97Å | 1.00Å | |
| CAC | H12 | sing | 1.08Å | 1.08Å | |
| CAO | H13 | sing | 1.08Å | 1.08Å | |
| CAP | H14 | sing | 1.08Å | 1.08Å | |
| CAQ | H15 | sing | 1.08Å | 1.08Å | |
| CAR | H16 | sing | 1.08Å | 1.08Å | |
| CAS | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAM | CAB | CAC | 122.7° | 119.7° |
| NAM | CAB | CAA | 116.9° | 119.6° |
| CAB | NAM | H10 | 109.5° | 120.0° |
| CAB | NAM | H11 | 109.4° | 120.0° |
| CAC | CAB | CAA | 120.4° | 120.7° |
| CAB | CAC | C6 | 118.9° | 119.4° |
| CAB | CAC | H12 | 120.5° | 120.3° |
| CAB | CAA | CAF | 119.9° | 120.8° |
| CAB | CAA | H9 | 120.1° | 119.6° |
| CAC | C6 | N1 | 120.4° | 121.8° |
| CAC | C6 | C5 | 120.6° | 119.4° |
| C6 | CAC | H12 | 120.6° | 120.3° |
| CAA | CAF | C5 | 120.9° | 119.8° |
| CAA | CAF | H8 | 119.6° | 120.1° |
| CAF | CAA | H9 | 120.1° | 119.6° |
| N1 | C6 | C5 | 119.1° | 118.8° |
| C6 | N1 | C2 | 120.2° | 120.4° |
| C6 | C5 | CAF | 119.4° | 119.9° |
| C6 | C5 | C4 | 117.8° | 118.3° |
| N1 | C2 | CAK | 123.3° | 118.7° |
| N1 | C2 | N3 | 122.4° | 122.7° |
| CAR | CAS | CAK | 120.2° | 119.9° |
| CAS | CAR | CAQ | 119.1° | 120.1° |
| CAS | CAR | H16 | 120.4° | 119.9° |
| CAR | CAS | H17 | 119.9° | 120.1° |
| CAS | CAK | C2 | 120.7° | 120.2° |
| CAS | CAK | CAO | 121.5° | 119.8° |
| CAK | CAS | H17 | 119.9° | 120.0° |
| CAR | CAQ | CAP | 119.6° | 120.3° |
| CAR | CAQ | H15 | 120.2° | 119.9° |
| CAQ | CAR | H16 | 120.5° | 120.0° |
| CAF | C5 | C4 | 122.8° | 121.8° |
| C5 | CAF | H8 | 119.5° | 120.1° |
| C5 | C4 | N3 | 120.4° | 118.4° |
| C5 | C4 | NAL | 120.1° | 120.8° |
| CAK | C2 | N3 | 114.3° | 118.6° |
| C2 | CAK | CAO | 117.8° | 120.1° |
| C2 | N3 | C4 | 120.1° | 121.4° |
| CAK | CAO | CAP | 117.6° | 119.9° |
| CAK | CAO | H13 | 121.2° | 120.1° |
| CAQ | CAP | CAO | 122.0° | 120.1° |
| CAQ | CAP | H14 | 119.0° | 120.0° |
| CAP | CAQ | H15 | 120.2° | 119.9° |
| N3 | C4 | NAL | 119.4° | 120.8° |
| C4 | NAL | CAN | 120.6° | 120.0° |
| C4 | NAL | H7 | 106.6° | 120.1° |
| CAP | CAO | H13 | 121.2° | 120.0° |
| CAO | CAP | H14 | 119.0° | 119.9° |
| NAL | CAN | CAT | 112.5° | 109.5° |
| NAL | CAN | H5 | 108.7° | 109.5° |
| NAL | CAN | H6 | 108.7° | 109.5° |
| CAN | NAL | H7 | 106.6° | 119.9° |
| CAN | CAT | CAY | 126.8° | 119.9° |
| CAN | CAT | CAU | 115.1° | 120.0° |
| CAT | CAN | H5 | 108.7° | 109.4° |
| CAT | CAN | H6 | 108.7° | 109.5° |
| CAT | CAY | CAX | 119.3° | 120.0° |
| CAY | CAT | CAU | 118.1° | 120.1° |
| CAT | CAY | H4 | 120.4° | 120.0° |
| CAY | CAX | CAW | 121.6° | 120.0° |
| CAY | CAX | H3 | 119.2° | 120.0° |
| CAX | CAY | H4 | 120.4° | 119.9° |
| CAT | CAU | CAV | 123.3° | 120.0° |
| CAT | CAU | H1 | 118.4° | 119.9° |
| CAX | CAW | CAV | 119.5° | 120.0° |
| CAX | CAW | FAZ | 121.0° | 120.1° |
| CAW | CAX | H3 | 119.2° | 120.0° |
| CAU | CAV | CAW | 118.3° | 120.0° |
| CAV | CAU | H1 | 118.3° | 120.0° |
| CAU | CAV | H2 | 120.9° | 120.0° |
| CAV | CAW | FAZ | 119.6° | 120.0° |
| CAW | CAV | H2 | 120.9° | 120.0° |
| H5 | CAN | H6 | 109.4° | 109.5° |
| H10 | NAM | H11 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAM | CAB | CAC | CAA | 179.2° | 180.0° |
| NAM | CAB | CAC | C6 | 179.7° | 180.0° |
| NAM | CAB | CAA | CAF | 179.6° | 180.0° |
| NAM | CAB | CAA | H9 | 0.4° | 0.1° |
| CAB | NAM | H10 | H11 | 120.0° | 179.9° |
| NAM | CAB | CAC | H12 | 0.3° | 0.1° |
| CAB | CAC | C6 | H12 | 180.0° | 179.9° |
| CAC | CAB | CAA | CAF | 1.1° | 0.0° |
| CAB | CAC | C6 | N1 | 179.1° | 180.0° |
| CAB | CAC | C6 | C5 | 0.4° | 0.0° |
| CAC | CAB | CAA | H9 | 178.9° | 180.0° |
| CAC | CAB | NAM | H10 | 180.0° | 0.1° |
| CAC | CAB | NAM | H11 | 60.0° | 180.0° |
| CAA | CAB | CAC | C6 | 0.5° | 0.0° |
| CAB | CAA | CAF | H9 | 180.0° | 179.9° |
| CAB | CAA | CAF | C5 | 1.7° | 0.1° |
| CAB | CAA | CAF | H8 | 178.3° | 180.0° |
| CAA | CAB | NAM | H10 | 0.7° | 179.8° |
| CAA | CAB | NAM | H11 | 119.2° | 0.0° |
| CAA | CAB | CAC | H12 | 179.6° | 180.0° |
| CAC | C6 | N1 | C5 | 178.8° | 180.0° |
| CAC | C6 | N1 | C2 | 179.9° | 180.0° |
| CAC | C6 | C5 | CAF | 0.9° | 0.1° |
| CAC | C6 | C5 | C4 | 179.3° | 180.0° |
| CAA | CAF | C5 | C6 | 1.6° | 0.1° |
| CAA | CAF | C5 | H8 | 180.0° | 179.9° |
| CAA | CAF | C5 | C4 | 178.7° | 180.0° |
| N1 | C6 | C5 | CAF | 179.7° | 180.0° |
| N1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C6 | N1 | C2 | CAK | 179.5° | 179.9° |
| C6 | N1 | C2 | N3 | 0.8° | 0.0° |
| N1 | C6 | CAC | H12 | 0.9° | 0.0° |
| C5 | C6 | N1 | C2 | 1.1° | 0.0° |
| C6 | C5 | CAF | C4 | 179.7° | 179.9° |
| C6 | C5 | C4 | N3 | 0.4° | 0.0° |
| C6 | C5 | C4 | NAL | 178.3° | 179.8° |
| C6 | C5 | CAF | H8 | 178.4° | 180.0° |
| C5 | C6 | CAC | H12 | 179.7° | 180.0° |
| N1 | C2 | CAK | CAS | 3.4° | 179.7° |
| N1 | C2 | CAK | N3 | 178.8° | 180.0° |
| N1 | C2 | CAK | CAO | 178.5° | 0.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.0° |
| CAR | CAS | CAK | H17 | 180.0° | 179.4° |
| CAS | CAR | CAQ | H16 | 180.0° | 179.8° |
| CAR | CAS | CAK | C2 | 178.5° | 179.8° |
| CAR | CAS | CAK | CAO | 0.5° | 0.6° |
| CAS | CAR | CAQ | CAP | 0.2° | 0.3° |
| CAS | CAR | CAQ | H15 | 179.7° | 179.8° |
| CAK | CAS | CAR | CAQ | 0.2° | 0.6° |
| CAS | CAK | C2 | CAO | 178.1° | 179.7° |
| CAS | CAK | C2 | N3 | 175.4° | 0.3° |
| CAS | CAK | CAO | CAP | 0.9° | 0.3° |
| CAS | CAK | CAO | H13 | 179.1° | 179.8° |
| CAK | CAS | CAR | H16 | 179.9° | 179.7° |
| CAR | CAQ | CAP | H15 | 180.0° | 180.0° |
| CAR | CAQ | CAP | CAO | 0.7° | 0.0° |
| CAR | CAQ | CAP | H14 | 179.3° | 179.9° |
| CAQ | CAR | CAS | H17 | 179.8° | 180.0° |
| CAF | C5 | C4 | N3 | 179.4° | 179.9° |
| CAF | C5 | C4 | NAL | 1.4° | 0.3° |
| C5 | CAF | CAA | H9 | 178.3° | 180.0° |
| C5 | C4 | N3 | C2 | 0.8° | 0.0° |
| C5 | C4 | N3 | NAL | 178.0° | 179.8° |
| C5 | C4 | NAL | CAN | 179.9° | 179.7° |
| C5 | C4 | NAL | H7 | 58.5° | 0.3° |
| C4 | C5 | CAF | H8 | 1.3° | 0.1° |
| CAK | C2 | N3 | C4 | 178.6° | 180.0° |
| C2 | CAK | CAO | CAP | 179.0° | 180.0° |
| C2 | CAK | CAO | H13 | 1.0° | 0.1° |
| C2 | CAK | CAS | H17 | 1.5° | 0.3° |
| N3 | C2 | CAK | CAO | 2.7° | 180.0° |
| C2 | N3 | C4 | NAL | 178.7° | 179.8° |
| CAK | CAO | CAP | CAQ | 1.0° | 0.0° |
| CAK | CAO | CAP | H13 | 180.0° | 179.9° |
| CAK | CAO | CAP | H14 | 179.0° | 179.9° |
| CAO | CAK | CAS | H17 | 179.5° | 180.0° |
| CAQ | CAP | CAO | H14 | 180.0° | 179.9° |
| CAQ | CAP | CAO | H13 | 179.0° | 179.9° |
| CAP | CAQ | CAR | H16 | 179.8° | 180.0° |
| N3 | C4 | NAL | CAN | 1.9° | 0.0° |
| N3 | C4 | NAL | H7 | 123.5° | 180.0° |
| C4 | NAL | CAN | H7 | 121.6° | 180.0° |
| C4 | NAL | CAN | CAT | 104.0° | 179.9° |
| C4 | NAL | CAN | H5 | 16.5° | 60.0° |
| C4 | NAL | CAN | H6 | 135.5° | 60.0° |
| CAO | CAP | CAQ | H15 | 179.3° | 180.0° |
| NAL | CAN | CAT | H5 | 120.5° | 120.0° |
| NAL | CAN | CAT | H6 | 120.5° | 120.1° |
| NAL | CAN | CAT | CAY | 5.7° | 90.0° |
| NAL | CAN | CAT | CAU | 173.4° | 90.5° |
| NAL | CAN | H5 | H6 | 118.6° | 120.0° |
| CAN | CAT | CAY | CAU | 179.1° | 179.5° |
| CAN | CAT | CAY | CAX | 180.0° | 180.0° |
| CAN | CAT | CAU | CAV | 179.3° | 180.0° |
| CAN | CAT | CAU | H1 | 0.7° | 0.3° |
| CAN | CAT | CAY | H4 | 0.1° | 0.5° |
| CAT | CAN | H5 | H6 | 118.6° | 120.0° |
| CAT | CAN | NAL | H7 | 134.4° | 0.0° |
| CAT | CAY | CAX | H4 | 180.0° | 179.5° |
| CAT | CAY | CAX | CAW | 1.1° | 0.3° |
| CAY | CAT | CAU | CAV | 0.1° | 0.6° |
| CAY | CAT | CAU | H1 | 179.9° | 179.8° |
| CAT | CAY | CAX | H3 | 178.9° | 179.7° |
| CAY | CAT | CAN | H5 | 114.7° | 150.0° |
| CAY | CAT | CAN | H6 | 126.2° | 30.0° |
| CAX | CAY | CAT | CAU | 0.9° | 0.6° |
| CAY | CAX | CAW | H3 | 180.0° | 179.9° |
| CAY | CAX | CAW | CAV | 0.4° | 0.1° |
| CAY | CAX | CAW | FAZ | 178.0° | 180.0° |
| CAT | CAU | CAV | H1 | 180.0° | 179.7° |
| CAT | CAU | CAV | CAW | 0.6° | 0.3° |
| CAT | CAU | CAV | H2 | 179.4° | 179.8° |
| CAU | CAT | CAY | H4 | 179.0° | 180.0° |
| CAU | CAT | CAN | H5 | 66.1° | 29.5° |
| CAU | CAT | CAN | H6 | 52.9° | 149.4° |
| CAX | CAW | CAV | CAU | 0.4° | 0.1° |
| CAX | CAW | CAV | FAZ | 178.4° | 179.9° |
| CAX | CAW | CAV | H2 | 179.6° | 180.0° |
| CAW | CAX | CAY | H4 | 178.9° | 179.8° |
| CAU | CAV | CAW | H2 | 180.0° | 179.9° |
| CAU | CAV | CAW | FAZ | 178.9° | 180.0° |
| CAW | CAV | CAU | H1 | 179.4° | 180.0° |
| CAV | CAW | CAX | H3 | 179.6° | 180.0° |
| FAZ | CAW | CAV | H2 | 1.1° | 0.1° |
| FAZ | CAW | CAX | H3 | 2.0° | 0.1° |
| H1 | CAU | CAV | H2 | 0.6° | 0.1° |
| H3 | CAX | CAY | H4 | 1.1° | 0.3° |
| H5 | CAN | NAL | H7 | 105.1° | 120.0° |
| H6 | CAN | NAL | H7 | 14.0° | 120.0° |
| H8 | CAF | CAA | H9 | 1.7° | 0.1° |
| H13 | CAO | CAP | H14 | 1.0° | 0.0° |
| H14 | CAP | CAQ | H15 | 0.7° | 0.0° |
| H15 | CAQ | CAR | H16 | 0.2° | 0.0° |
| H16 | CAR | CAS | H17 | 0.1° | 0.2° |
