8OH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SAX | CAW | sing | 1.76Å | 1.73Å | Aromatic |
| SAX | CAT | sing | 1.76Å | 1.75Å | Aromatic |
| CAW | CAV | doub | 1.33Å | 1.35Å | Aromatic |
| CAV | CAU | sing | 1.38Å | 1.38Å | Aromatic |
| CAT | CAU | doub | 1.33Å | 1.34Å | Aromatic |
| CAT | CAS | sing | 1.51Å | 1.54Å | |
| CAS | NAR | sing | 1.46Å | 1.51Å | |
| NAR | C4 | sing | 1.38Å | 1.38Å | |
| CAN | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| N3 | C2 | sing | 1.33Å | 1.37Å | Aromatic |
| CAO | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | C2 | sing | 1.48Å | 1.40Å | |
| CAK | CAQ | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | CAF | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.43Å | Aromatic |
| CAF | CAA | sing | 1.36Å | 1.40Å | Aromatic |
| CAP | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C6 | sing | 1.34Å | 1.35Å | Aromatic |
| C6 | CAC | doub | 1.40Å | 1.42Å | Aromatic |
| CAA | CAB | doub | 1.40Å | 1.40Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | NAL | sing | 1.39Å | 1.32Å | |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAN | H2 | sing | 1.08Å | 1.08Å | |
| CAO | H3 | sing | 1.08Å | 1.08Å | |
| CAP | H4 | sing | 1.08Å | 1.08Å | |
| CAQ | H5 | sing | 1.08Å | 1.08Å | |
| CAC | H6 | sing | 1.08Å | 1.08Å | |
| NAL | H7 | sing | 0.97Å | 1.00Å | |
| NAL | H8 | sing | 0.97Å | 1.00Å | |
| CAA | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| NAR | H11 | sing | 0.97Å | 1.00Å | |
| CAS | H12 | sing | 1.09Å | 1.10Å | |
| CAS | H13 | sing | 1.09Å | 1.10Å | |
| CAW | H14 | sing | 1.08Å | 1.08Å | |
| CAV | H15 | sing | 1.08Å | 1.08Å | |
| CAU | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAW | SAX | CAT | 95.2° | 91.0° |
| SAX | CAW | CAV | 105.8° | 109.6° |
| SAX | CAW | H14 | 127.1° | 125.2° |
| SAX | CAT | CAU | 106.4° | 109.6° |
| SAX | CAT | CAS | 126.5° | 125.2° |
| CAW | CAV | CAU | 117.0° | 114.9° |
| CAV | CAW | H14 | 127.1° | 125.2° |
| CAW | CAV | H15 | 121.5° | 122.6° |
| CAV | CAU | CAT | 115.6° | 114.9° |
| CAU | CAV | H15 | 121.5° | 122.5° |
| CAV | CAU | H16 | 122.2° | 122.6° |
| CAU | CAT | CAS | 127.1° | 125.2° |
| CAT | CAU | H16 | 122.2° | 122.5° |
| CAT | CAS | NAR | 118.4° | 109.4° |
| CAT | CAS | H12 | 107.2° | 109.4° |
| CAT | CAS | H13 | 107.2° | 109.5° |
| CAS | NAR | C4 | 122.5° | 120.0° |
| CAS | NAR | H11 | 106.1° | 120.0° |
| NAR | CAS | H12 | 107.2° | 109.5° |
| NAR | CAS | H13 | 107.2° | 109.5° |
| NAR | C4 | N3 | 121.8° | 120.8° |
| NAR | C4 | C5 | 121.7° | 120.8° |
| C4 | NAR | H11 | 106.1° | 120.0° |
| CAM | CAN | CAO | 119.9° | 120.1° |
| CAN | CAM | CAK | 121.0° | 119.9° |
| CAN | CAM | H1 | 119.5° | 120.1° |
| CAM | CAN | H2 | 120.1° | 119.9° |
| CAN | CAO | CAP | 120.3° | 120.2° |
| CAO | CAN | H2 | 120.0° | 119.9° |
| CAN | CAO | H3 | 119.8° | 119.8° |
| CAM | CAK | C2 | 120.8° | 120.1° |
| CAM | CAK | CAQ | 118.2° | 119.7° |
| CAK | CAM | H1 | 119.5° | 120.0° |
| N3 | C4 | C5 | 116.4° | 118.4° |
| C4 | N3 | C2 | 124.1° | 121.4° |
| C4 | C5 | CAF | 124.1° | 121.9° |
| C4 | C5 | C6 | 118.2° | 118.3° |
| N3 | C2 | CAK | 120.4° | 118.6° |
| N3 | C2 | N1 | 120.1° | 122.7° |
| CAO | CAP | CAQ | 119.3° | 120.2° |
| CAP | CAO | H3 | 119.9° | 119.9° |
| CAO | CAP | H4 | 120.4° | 119.9° |
| C2 | CAK | CAQ | 121.0° | 120.1° |
| CAK | C2 | N1 | 119.5° | 118.7° |
| CAK | CAQ | CAP | 121.3° | 119.9° |
| CAK | CAQ | H5 | 119.4° | 120.1° |
| C2 | N1 | C6 | 119.8° | 120.4° |
| CAF | C5 | C6 | 117.6° | 119.8° |
| C5 | CAF | CAA | 121.7° | 119.8° |
| C5 | CAF | H10 | 119.1° | 120.1° |
| C5 | C6 | N1 | 121.3° | 118.8° |
| C5 | C6 | CAC | 120.1° | 119.4° |
| CAF | CAA | CAB | 120.3° | 120.8° |
| CAF | CAA | H9 | 119.8° | 119.6° |
| CAA | CAF | H10 | 119.1° | 120.1° |
| CAQ | CAP | H4 | 120.3° | 120.0° |
| CAP | CAQ | H5 | 119.4° | 120.1° |
| N1 | C6 | CAC | 118.6° | 121.8° |
| C6 | CAC | CAB | 120.8° | 119.4° |
| C6 | CAC | H6 | 119.6° | 120.3° |
| CAA | CAB | CAC | 119.4° | 120.7° |
| CAA | CAB | NAL | 119.6° | 119.7° |
| CAB | CAA | H9 | 119.9° | 119.6° |
| CAC | CAB | NAL | 121.0° | 119.6° |
| CAB | CAC | H6 | 119.6° | 120.3° |
| CAB | NAL | H7 | 109.5° | 120.0° |
| CAB | NAL | H8 | 109.5° | 119.9° |
| H7 | NAL | H8 | 109.4° | 120.0° |
| H12 | CAS | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SAX | CAW | CAV | H14 | 180.0° | 180.0° |
| SAX | CAW | CAV | CAU | 0.1° | 0.0° |
| CAW | SAX | CAT | CAU | 0.6° | 0.0° |
| CAW | SAX | CAT | CAS | 179.8° | 179.7° |
| SAX | CAW | CAV | H15 | 179.9° | 179.9° |
| CAT | SAX | CAW | CAV | 0.4° | 0.0° |
| SAX | CAT | CAU | CAV | 0.6° | 0.0° |
| SAX | CAT | CAU | CAS | 179.2° | 179.7° |
| SAX | CAT | CAS | NAR | 171.2° | 89.7° |
| SAX | CAT | CAS | H12 | 49.9° | 150.3° |
| SAX | CAT | CAS | H13 | 67.6° | 30.3° |
| CAT | SAX | CAW | H14 | 179.6° | 180.0° |
| SAX | CAT | CAU | H16 | 179.4° | 179.8° |
| CAW | CAV | CAU | H15 | 180.0° | 180.0° |
| CAW | CAV | CAU | CAT | 0.4° | 0.0° |
| CAW | CAV | CAU | H16 | 179.7° | 179.8° |
| CAV | CAU | CAT | H16 | 180.0° | 179.8° |
| CAV | CAU | CAT | CAS | 179.8° | 179.7° |
| CAU | CAV | CAW | H14 | 179.9° | 180.0° |
| CAU | CAT | CAS | NAR | 9.8° | 90.0° |
| CAU | CAT | CAS | H12 | 131.1° | 30.0° |
| CAU | CAT | CAS | H13 | 111.5° | 150.0° |
| CAT | CAU | CAV | H15 | 179.7° | 179.9° |
| CAT | CAS | NAR | H12 | 121.3° | 119.9° |
| CAT | CAS | NAR | H13 | 121.3° | 120.0° |
| CAT | CAS | NAR | C4 | 96.0° | 180.0° |
| CAT | CAS | NAR | H11 | 25.8° | 0.0° |
| CAT | CAS | H12 | H13 | 115.9° | 120.0° |
| CAS | CAT | CAU | H16 | 0.2° | 0.1° |
| CAS | NAR | C4 | H11 | 121.8° | 180.0° |
| CAS | NAR | C4 | N3 | 7.2° | 0.0° |
| CAS | NAR | C4 | C5 | 170.3° | 179.7° |
| NAR | CAS | H12 | H13 | 115.9° | 120.0° |
| NAR | C4 | N3 | C5 | 177.7° | 179.7° |
| NAR | C4 | N3 | C2 | 177.9° | 179.7° |
| NAR | C4 | C5 | CAF | 1.6° | 0.3° |
| NAR | C4 | C5 | C6 | 177.5° | 179.7° |
| C4 | NAR | CAS | H12 | 142.7° | 60.0° |
| C4 | NAR | CAS | H13 | 25.3° | 60.0° |
| CAM | CAN | CAO | H2 | 180.0° | 179.9° |
| CAN | CAM | CAK | H1 | 180.0° | 179.8° |
| CAM | CAN | CAO | CAP | 0.4° | 0.0° |
| CAN | CAM | CAK | C2 | 179.1° | 179.7° |
| CAN | CAM | CAK | CAQ | 0.8° | 0.0° |
| CAM | CAN | CAO | H3 | 179.6° | 180.0° |
| CAO | CAN | CAM | CAK | 0.2° | 0.0° |
| CAN | CAO | CAP | H3 | 180.0° | 179.9° |
| CAN | CAO | CAP | CAQ | 0.5° | 0.1° |
| CAO | CAN | CAM | H1 | 179.8° | 179.8° |
| CAN | CAO | CAP | H4 | 179.5° | 180.0° |
| CAM | CAK | C2 | N3 | 10.3° | 180.0° |
| CAM | CAK | C2 | CAQ | 180.0° | 179.7° |
| CAM | CAK | C2 | N1 | 170.3° | 0.1° |
| CAM | CAK | CAQ | CAP | 0.8° | 0.0° |
| CAK | CAM | CAN | H2 | 179.8° | 180.0° |
| CAM | CAK | CAQ | H5 | 179.2° | 180.0° |
| C4 | N3 | C2 | CAK | 179.3° | 179.9° |
| C4 | N3 | C2 | N1 | 0.1° | 0.0° |
| N3 | C4 | C5 | CAF | 179.2° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | NAR | H11 | 129.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.2° | 0.0° |
| C4 | C5 | CAF | C6 | 179.1° | 180.0° |
| C4 | C5 | CAF | CAA | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 0.7° | 0.1° |
| C4 | C5 | C6 | CAC | 179.4° | 179.9° |
| C4 | C5 | CAF | H10 | 0.0° | 0.1° |
| C5 | C4 | NAR | H11 | 48.5° | 0.3° |
| N3 | C2 | CAK | N1 | 179.3° | 179.9° |
| N3 | C2 | CAK | CAQ | 169.6° | 0.3° |
| N3 | C2 | N1 | C6 | 0.5° | 0.1° |
| CAO | CAP | CAQ | CAK | 0.2° | 0.1° |
| CAO | CAP | CAQ | H4 | 180.0° | 180.0° |
| CAP | CAO | CAN | H2 | 179.6° | 180.0° |
| CAO | CAP | CAQ | H5 | 179.9° | 180.0° |
| C2 | CAK | CAQ | CAP | 179.2° | 179.7° |
| CAK | C2 | N1 | C6 | 179.8° | 180.0° |
| C2 | CAK | CAM | H1 | 0.9° | 0.1° |
| C2 | CAK | CAQ | H5 | 0.8° | 0.3° |
| CAQ | CAK | C2 | N1 | 9.7° | 179.8° |
| CAK | CAQ | CAP | H5 | 180.0° | 179.9° |
| CAQ | CAK | CAM | H1 | 179.2° | 179.8° |
| CAK | CAQ | CAP | H4 | 179.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.8° | 0.1° |
| C2 | N1 | C6 | CAC | 179.2° | 180.0° |
| C5 | CAF | CAA | H10 | 180.0° | 180.0° |
| CAF | C5 | C6 | N1 | 179.8° | 179.9° |
| CAF | C5 | C6 | CAC | 0.3° | 0.0° |
| C5 | CAF | CAA | CAB | 0.3° | 0.0° |
| C5 | CAF | CAA | H9 | 179.7° | 180.0° |
| C6 | C5 | CAF | CAA | 0.9° | 0.0° |
| C5 | C6 | N1 | CAC | 179.9° | 179.9° |
| C5 | C6 | CAC | CAB | 1.0° | 0.0° |
| C5 | C6 | CAC | H6 | 179.0° | 180.0° |
| C6 | C5 | CAF | H10 | 179.1° | 180.0° |
| CAF | CAA | CAB | H9 | 180.0° | 180.0° |
| CAF | CAA | CAB | CAC | 1.0° | 0.0° |
| CAF | CAA | CAB | NAL | 179.5° | 180.0° |
| CAQ | CAP | CAO | H3 | 179.5° | 180.0° |
| N1 | C6 | CAC | CAB | 178.9° | 179.9° |
| N1 | C6 | CAC | H6 | 1.1° | 0.1° |
| C6 | CAC | CAB | CAA | 1.6° | 0.0° |
| C6 | CAC | CAB | H6 | 180.0° | 179.9° |
| C6 | CAC | CAB | NAL | 178.9° | 179.9° |
| CAA | CAB | CAC | NAL | 179.5° | 180.0° |
| CAA | CAB | CAC | H6 | 178.4° | 180.0° |
| CAA | CAB | NAL | H7 | 180.0° | 180.0° |
| CAA | CAB | NAL | H8 | 60.0° | 0.1° |
| CAB | CAA | CAF | H10 | 179.7° | 180.0° |
| CAC | CAB | NAL | H7 | 0.5° | 0.1° |
| CAC | CAB | NAL | H8 | 119.5° | 180.0° |
| CAC | CAB | CAA | H9 | 179.0° | 180.0° |
| NAL | CAB | CAC | H6 | 1.1° | 0.0° |
| CAB | NAL | H7 | H8 | 120.0° | 179.9° |
| NAL | CAB | CAA | H9 | 0.5° | 0.0° |
| H1 | CAM | CAN | H2 | 0.2° | 0.2° |
| H2 | CAN | CAO | H3 | 0.4° | 0.1° |
| H3 | CAO | CAP | H4 | 0.5° | 0.0° |
| H4 | CAP | CAQ | H5 | 0.1° | 0.1° |
| H9 | CAA | CAF | H10 | 0.3° | 0.0° |
| H11 | NAR | CAS | H12 | 95.5° | 120.0° |
| H11 | NAR | CAS | H13 | 147.1° | 120.0° |
| H14 | CAW | CAV | H15 | 0.1° | 0.0° |
| H15 | CAV | CAU | H16 | 0.3° | 0.2° |
