BQ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAH | CAT | sing | 1.36Å | 1.36Å | |
| CAT | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAU | doub | 1.40Å | 1.39Å | Aromatic |
| CAS | OAG | sing | 1.36Å | 1.36Å | |
| CAS | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAU | CAX | sing | 1.48Å | 1.35Å | |
| CAA | CAQ | sing | 1.51Å | 1.55Å | |
| CAX | CAW | doub | 1.38Å | 1.37Å | Aromatic |
| CAX | SAO | sing | 1.76Å | 1.69Å | Aromatic |
| CAQ | CAW | sing | 1.42Å | 1.36Å | |
| CAQ | OAE | doub | 1.21Å | 1.23Å | |
| CAW | NAL | sing | 1.33Å | 1.37Å | Aromatic |
| SAO | CAV | sing | 1.76Å | 1.68Å | Aromatic |
| NAL | CAV | doub | 1.29Å | 1.35Å | Aromatic |
| CAV | NAM | sing | 1.39Å | 1.36Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| NAM | C | sing | 1.35Å | 1.37Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| N | CAP | sing | 1.38Å | 1.34Å | |
| CAP | NAD | doub | 1.30Å | 1.34Å | |
| CAP | NAC | sing | 1.37Å | 1.33Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| NAC | H12 | sing | 0.97Å | 1.00Å | |
| NAC | H13 | sing | 0.97Å | 1.00Å | |
| NAD | H14 | sing | 0.97Å | 1.00Å | |
| NAM | H15 | sing | 0.97Å | 1.00Å | |
| OAG | H16 | sing | 0.97Å | 0.95Å | |
| OAH | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAH | CAT | CAI | 119.8° | 119.9° |
| OAH | CAT | CAK | 120.3° | 119.9° |
| CAT | OAH | H17 | 109.5° | 114.0° |
| CAI | CAT | CAK | 119.8° | 120.2° |
| CAT | CAI | CAS | 118.8° | 120.2° |
| CAT | CAI | H9 | 120.6° | 119.9° |
| CAT | CAK | CAU | 121.7° | 119.8° |
| CAT | CAK | H11 | 119.2° | 120.1° |
| CAI | CAS | OAG | 118.9° | 119.9° |
| CAI | CAS | CAJ | 121.1° | 120.2° |
| CAS | CAI | H9 | 120.6° | 120.0° |
| CAK | CAU | CAJ | 117.9° | 119.8° |
| CAK | CAU | CAX | 117.8° | 120.1° |
| CAU | CAK | H11 | 119.2° | 120.1° |
| OAG | CAS | CAJ | 120.0° | 119.9° |
| CAS | OAG | H16 | 109.5° | 114.0° |
| CAS | CAJ | CAU | 120.6° | 119.9° |
| CAS | CAJ | H10 | 119.7° | 120.1° |
| CAJ | CAU | CAX | 124.2° | 120.1° |
| CAU | CAJ | H10 | 119.7° | 120.0° |
| CAU | CAX | CAW | 134.7° | 126.0° |
| CAU | CAX | SAO | 117.1° | 126.0° |
| CAA | CAQ | CAW | 121.3° | 120.0° |
| CAA | CAQ | OAE | 118.3° | 120.0° |
| CAQ | CAA | H6 | 109.5° | 109.5° |
| CAQ | CAA | H7 | 109.5° | 109.5° |
| CAQ | CAA | H8 | 109.5° | 109.5° |
| CAW | CAX | SAO | 108.2° | 108.0° |
| CAX | CAW | CAQ | 131.1° | 122.9° |
| CAX | CAW | NAL | 112.6° | 114.3° |
| CAX | SAO | CAV | 95.4° | 90.3° |
| CAW | CAQ | OAE | 119.8° | 120.0° |
| CAQ | CAW | NAL | 116.2° | 122.8° |
| CAW | NAL | CAV | 116.2° | 117.3° |
| SAO | CAV | NAL | 107.4° | 110.1° |
| SAO | CAV | NAM | 128.6° | 124.9° |
| NAL | CAV | NAM | 123.9° | 124.9° |
| CAV | NAM | C | 121.1° | 120.0° |
| CAV | NAM | H15 | 119.5° | 120.0° |
| O | C | NAM | 125.2° | 120.0° |
| O | C | CA | 118.3° | 120.0° |
| NAM | C | CA | 116.5° | 120.0° |
| C | NAM | H15 | 119.4° | 120.0° |
| CB | CA | C | 108.2° | 109.5° |
| CB | CA | N | 109.3° | 109.5° |
| CB | CA | H2 | 109.5° | 109.5° |
| CA | CB | H3 | 109.5° | 109.5° |
| CA | CB | H4 | 109.5° | 109.5° |
| CA | CB | H5 | 109.5° | 109.5° |
| C | CA | N | 109.5° | 109.5° |
| C | CA | H2 | 109.6° | 109.5° |
| CA | N | CAP | 122.4° | 120.0° |
| CA | N | H1 | 118.8° | 120.0° |
| N | CA | H2 | 110.7° | 109.5° |
| N | CAP | NAD | 120.6° | 120.0° |
| N | CAP | NAC | 119.4° | 120.0° |
| CAP | N | H1 | 118.8° | 120.0° |
| NAD | CAP | NAC | 119.9° | 120.0° |
| CAP | NAD | H14 | 112.0° | 120.0° |
| CAP | NAC | H12 | 120.0° | 120.0° |
| CAP | NAC | H13 | 120.0° | 120.0° |
| H3 | CB | H4 | 109.5° | 109.5° |
| H3 | CB | H5 | 109.5° | 109.5° |
| H4 | CB | H5 | 109.5° | 109.4° |
| H6 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H8 | 109.5° | 109.4° |
| H7 | CAA | H8 | 109.4° | 109.4° |
| H12 | NAC | H13 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAH | CAT | CAI | CAK | 179.6° | 180.0° |
| OAH | CAT | CAI | CAS | 179.5° | 180.0° |
| OAH | CAT | CAK | CAU | 179.4° | 179.4° |
| OAH | CAT | CAI | H9 | 0.5° | 0.3° |
| OAH | CAT | CAK | H11 | 0.6° | 0.3° |
| CAT | CAI | CAS | H9 | 180.0° | 179.7° |
| CAI | CAT | CAK | CAU | 1.0° | 0.5° |
| CAT | CAI | CAS | OAG | 179.8° | 179.7° |
| CAT | CAI | CAS | CAJ | 0.3° | 0.4° |
| CAI | CAT | CAK | H11 | 179.1° | 179.7° |
| CAI | CAT | OAH | H17 | 180.0° | 90.0° |
| CAK | CAT | CAI | CAS | 0.1° | 0.1° |
| CAT | CAK | CAU | H11 | 180.0° | 179.2° |
| CAT | CAK | CAU | CAJ | 2.4° | 0.8° |
| CAT | CAK | CAU | CAX | 178.6° | 179.2° |
| CAK | CAT | CAI | H9 | 179.9° | 179.7° |
| CAK | CAT | OAH | H17 | 0.4° | 90.0° |
| CAI | CAS | OAG | CAJ | 179.5° | 179.9° |
| CAI | CAS | CAJ | CAU | 1.8° | 0.1° |
| CAI | CAS | CAJ | H10 | 178.2° | 179.9° |
| CAI | CAS | OAG | H16 | 180.0° | 90.0° |
| CAK | CAU | CAJ | CAS | 2.8° | 0.5° |
| CAK | CAU | CAJ | CAX | 176.0° | 180.0° |
| CAK | CAU | CAX | CAW | 133.1° | 123.3° |
| CAK | CAU | CAX | SAO | 46.6° | 57.0° |
| CAK | CAU | CAJ | H10 | 177.2° | 179.5° |
| OAG | CAS | CAJ | CAU | 178.7° | 180.0° |
| OAG | CAS | CAI | H9 | 0.2° | 0.1° |
| OAG | CAS | CAJ | H10 | 1.3° | 0.1° |
| CAS | CAJ | CAU | H10 | 180.0° | 180.0° |
| CAS | CAJ | CAU | CAX | 178.8° | 179.5° |
| CAJ | CAS | CAI | H9 | 179.7° | 180.0° |
| CAJ | CAS | OAG | H16 | 0.5° | 90.1° |
| CAJ | CAU | CAX | CAW | 50.9° | 56.7° |
| CAJ | CAU | CAX | SAO | 129.4° | 123.0° |
| CAJ | CAU | CAK | H11 | 177.6° | 180.0° |
| CAU | CAX | CAW | SAO | 179.7° | 179.8° |
| CAU | CAX | CAW | CAQ | 0.3° | 0.0° |
| CAU | CAX | CAW | NAL | 179.8° | 179.9° |
| CAU | CAX | SAO | CAV | 179.3° | 180.0° |
| CAX | CAU | CAJ | H10 | 1.2° | 0.5° |
| CAX | CAU | CAK | H11 | 1.4° | 0.0° |
| CAA | CAQ | CAW | CAX | 21.1° | 174.0° |
| CAA | CAQ | CAW | OAE | 170.8° | 179.9° |
| CAA | CAQ | CAW | NAL | 158.4° | 6.0° |
| CAQ | CAA | H6 | H7 | 120.0° | 120.1° |
| CAQ | CAA | H6 | H8 | 120.0° | 120.0° |
| CAQ | CAA | H7 | H8 | 120.0° | 120.0° |
| CAX | CAW | CAQ | NAL | 179.5° | 179.9° |
| CAX | CAW | CAQ | OAE | 168.1° | 6.1° |
| CAW | CAX | SAO | CAV | 1.0° | 0.2° |
| CAX | CAW | NAL | CAV | 1.1° | 0.1° |
| SAO | CAX | CAW | CAQ | 179.4° | 179.8° |
| SAO | CAX | CAW | NAL | 0.1° | 0.1° |
| CAX | SAO | CAV | NAL | 1.5° | 0.2° |
| CAX | SAO | CAV | NAM | 179.1° | 180.0° |
| CAQ | CAW | NAL | CAV | 179.3° | 180.0° |
| CAW | CAQ | CAA | H6 | 170.9° | 0.1° |
| CAW | CAQ | CAA | H7 | 50.9° | 120.0° |
| CAW | CAQ | CAA | H8 | 69.0° | 120.0° |
| OAE | CAQ | CAW | NAL | 12.5° | 174.0° |
| OAE | CAQ | CAA | H6 | 0.0° | 180.0° |
| OAE | CAQ | CAA | H7 | 120.0° | 59.9° |
| OAE | CAQ | CAA | H8 | 120.0° | 60.1° |
| CAW | NAL | CAV | SAO | 1.8° | 0.2° |
| CAW | NAL | CAV | NAM | 179.5° | 180.0° |
| SAO | CAV | NAL | NAM | 177.7° | 179.8° |
| SAO | CAV | NAM | C | 5.8° | 179.7° |
| SAO | CAV | NAM | H15 | 174.2° | 0.3° |
| NAL | CAV | NAM | C | 177.0° | 0.0° |
| NAL | CAV | NAM | H15 | 3.0° | 179.9° |
| CAV | NAM | C | O | 0.9° | 0.0° |
| CAV | NAM | C | H15 | 180.0° | 179.9° |
| CAV | NAM | C | CA | 177.4° | 180.0° |
| O | C | NAM | CA | 178.3° | 180.0° |
| O | C | CA | CB | 95.0° | 120.0° |
| O | C | CA | N | 145.9° | 0.0° |
| O | C | CA | H2 | 24.3° | 120.0° |
| O | C | NAM | H15 | 179.1° | 180.0° |
| NAM | C | CA | CB | 83.4° | 60.0° |
| NAM | C | CA | N | 35.7° | 180.0° |
| NAM | C | CA | H2 | 157.3° | 60.0° |
| CB | CA | C | N | 119.1° | 120.0° |
| CB | CA | C | H2 | 119.4° | 120.0° |
| CB | CA | N | H2 | 120.7° | 120.0° |
| CB | CA | N | CAP | 176.6° | 85.0° |
| CB | CA | N | H1 | 3.3° | 94.7° |
| CA | CB | H3 | H4 | 120.0° | 120.0° |
| CA | CB | H3 | H5 | 120.0° | 120.0° |
| CA | CB | H4 | H5 | 120.0° | 120.0° |
| C | CA | N | H2 | 120.9° | 120.0° |
| C | CA | N | CAP | 65.0° | 155.0° |
| C | CA | N | H1 | 115.1° | 25.3° |
| C | CA | CB | H3 | 180.0° | 60.0° |
| C | CA | CB | H4 | 60.0° | 180.0° |
| C | CA | CB | H5 | 60.0° | 60.0° |
| CA | C | NAM | H15 | 2.6° | 0.0° |
| CA | N | CAP | H1 | 180.0° | 179.7° |
| CA | N | CAP | NAD | 1.9° | 0.3° |
| CA | N | CAP | NAC | 177.9° | 179.7° |
| N | CA | CB | H3 | 60.7° | 60.0° |
| N | CA | CB | H4 | 179.2° | 60.0° |
| N | CA | CB | H5 | 59.2° | 180.0° |
| N | CAP | NAD | NAC | 179.7° | 180.0° |
| CAP | N | CA | H2 | 55.9° | 35.0° |
| N | CAP | NAC | H12 | 179.7° | 0.0° |
| N | CAP | NAC | H13 | 0.3° | 180.0° |
| N | CAP | NAD | H14 | 179.7° | 180.0° |
| NAD | CAP | N | H1 | 178.1° | 180.0° |
| NAD | CAP | NAC | H12 | 0.0° | 179.9° |
| NAD | CAP | NAC | H13 | 180.0° | 0.0° |
| NAC | CAP | N | H1 | 2.2° | 0.0° |
| CAP | NAC | H12 | H13 | 180.0° | 180.0° |
| NAC | CAP | NAD | H14 | 0.0° | 0.1° |
| H1 | N | CA | H2 | 124.0° | 145.3° |
| H2 | CA | CB | H3 | 60.6° | 180.0° |
| H2 | CA | CB | H4 | 59.4° | 60.0° |
| H2 | CA | CB | H5 | 179.4° | 60.0° |
| H3 | CB | H4 | H5 | 120.0° | 120.0° |
| H6 | CAA | H7 | H8 | 120.0° | 119.9° |
