BQK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAS | sing | 1.36Å | 1.36Å | |
| CAF | CAS | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAS | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| OAE | CAT | sing | 1.36Å | 1.36Å | |
| CAT | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAH | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAU | CAX | sing | 1.48Å | 1.36Å | |
| CAA | CAQ | sing | 1.51Å | 1.54Å | |
| CAX | CAW | doub | 1.38Å | 1.38Å | Aromatic |
| CAX | SAP | sing | 1.76Å | 1.67Å | Aromatic |
| CAQ | CAW | sing | 1.42Å | 1.37Å | |
| CAQ | OAB | doub | 1.21Å | 1.24Å | |
| CAW | NAL | sing | 1.34Å | 1.36Å | Aromatic |
| SAP | CAV | sing | 1.76Å | 1.65Å | Aromatic |
| NAL | CAV | doub | 1.29Å | 1.34Å | Aromatic |
| CAV | NAO | sing | 1.39Å | 1.35Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| NAO | C | sing | 1.35Å | 1.36Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | CAJ | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CAJ | CAI | sing | 1.53Å | 1.52Å | |
| CB | NAM | sing | 1.47Å | 1.47Å | |
| CAI | NAM | sing | 1.47Å | 1.47Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| CA | 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 | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAH | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.09Å | 1.10Å | |
| CAI | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H14 | sing | 1.09Å | 1.10Å | |
| CAJ | H15 | sing | 1.09Å | 1.10Å | |
| NAM | H16 | sing | 1.01Å | 1.00Å | |
| NAO | H18 | sing | 0.97Å | 1.00Å | |
| OAD | H19 | sing | 0.97Å | 0.95Å | |
| OAE | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAS | CAF | 119.2° | 119.9° |
| OAD | CAS | CAG | 121.0° | 119.9° |
| CAS | OAD | H19 | 109.5° | 114.0° |
| CAS | CAF | CAT | 119.5° | 120.2° |
| CAF | CAS | CAG | 119.8° | 120.1° |
| CAS | CAF | H9 | 120.3° | 119.9° |
| CAF | CAT | OAE | 118.8° | 119.9° |
| CAF | CAT | CAH | 120.5° | 120.1° |
| CAT | CAF | H9 | 120.3° | 120.0° |
| CAS | CAG | CAU | 121.7° | 119.9° |
| CAS | CAG | H10 | 119.1° | 120.0° |
| OAE | CAT | CAH | 120.7° | 119.9° |
| CAT | OAE | H20 | 109.5° | 114.0° |
| CAT | CAH | CAU | 121.1° | 119.9° |
| CAT | CAH | H11 | 119.4° | 120.1° |
| CAG | CAU | CAH | 117.3° | 119.8° |
| CAG | CAU | CAX | 116.9° | 120.1° |
| CAU | CAG | H10 | 119.1° | 120.1° |
| CAH | CAU | CAX | 125.8° | 120.1° |
| CAU | CAH | H11 | 119.4° | 120.1° |
| CAU | CAX | CAW | 135.7° | 126.0° |
| CAU | CAX | SAP | 116.7° | 126.1° |
| CAA | CAQ | CAW | 121.0° | 120.0° |
| CAA | CAQ | OAB | 118.4° | 120.0° |
| CAQ | CAA | H6 | 109.5° | 109.5° |
| CAQ | CAA | H7 | 109.5° | 109.5° |
| CAQ | CAA | H8 | 109.4° | 109.5° |
| CAW | CAX | SAP | 107.5° | 108.0° |
| CAX | CAW | CAQ | 132.6° | 122.9° |
| CAX | CAW | NAL | 112.1° | 114.3° |
| CAX | SAP | CAV | 96.7° | 90.3° |
| CAW | CAQ | OAB | 120.3° | 120.0° |
| CAQ | CAW | NAL | 115.2° | 122.8° |
| CAW | NAL | CAV | 116.3° | 117.2° |
| SAP | CAV | NAL | 107.4° | 110.2° |
| SAP | CAV | NAO | 128.7° | 124.9° |
| NAL | CAV | NAO | 123.8° | 124.9° |
| CAV | NAO | C | 123.5° | 120.0° |
| CAV | NAO | H18 | 118.3° | 120.1° |
| O | C | NAO | 126.5° | 120.0° |
| O | C | CA | 118.7° | 120.0° |
| NAO | C | CA | 114.8° | 120.0° |
| C | NAO | H18 | 118.3° | 120.0° |
| C | CA | N | 109.5° | 109.5° |
| C | CA | CB | 111.2° | 109.5° |
| C | CA | H3 | 108.6° | 109.5° |
| CA | N | CAJ | 109.8° | 110.9° |
| N | CA | CB | 109.5° | 109.4° |
| CA | N | H1 | 109.4° | 111.0° |
| N | CA | H3 | 109.3° | 109.5° |
| N | CAJ | CAI | 111.1° | 109.4° |
| CAJ | N | H1 | 109.4° | 111.0° |
| N | CAJ | H14 | 109.1° | 109.5° |
| N | CAJ | H15 | 109.1° | 109.5° |
| CA | CB | NAM | 108.9° | 109.3° |
| CB | CA | H3 | 108.8° | 109.5° |
| CA | CB | H4 | 109.6° | 109.5° |
| CA | CB | H5 | 109.6° | 109.5° |
| CAJ | CAI | NAM | 110.9° | 109.4° |
| CAJ | CAI | H12 | 109.1° | 109.5° |
| CAJ | CAI | H13 | 109.1° | 109.5° |
| CAI | CAJ | H14 | 109.1° | 109.5° |
| CAI | CAJ | H15 | 109.1° | 109.5° |
| CB | NAM | CAI | 109.9° | 110.9° |
| NAM | CB | H4 | 109.6° | 109.5° |
| NAM | CB | H5 | 109.6° | 109.5° |
| CB | NAM | H16 | 109.3° | 111.0° |
| NAM | CAI | H12 | 109.1° | 109.5° |
| NAM | CAI | H13 | 109.1° | 109.4° |
| CAI | NAM | H16 | 109.4° | 111.0° |
| H4 | CB | H5 | 109.5° | 109.6° |
| H6 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H12 | CAI | H13 | 109.5° | 109.5° |
| H14 | CAJ | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAS | CAF | CAG | 179.9° | 180.0° |
| OAD | CAS | CAF | CAT | 180.0° | 180.0° |
| OAD | CAS | CAG | CAU | 179.1° | 180.0° |
| OAD | CAS | CAF | H9 | 0.0° | 0.3° |
| OAD | CAS | CAG | H10 | 0.8° | 0.1° |
| CAS | CAF | CAT | H9 | 180.0° | 179.7° |
| CAS | CAF | CAT | OAE | 179.9° | 179.9° |
| CAS | CAF | CAT | CAH | 0.3° | 0.1° |
| CAF | CAS | CAG | CAU | 0.7° | 0.0° |
| CAF | CAS | CAG | H10 | 179.3° | 179.9° |
| CAF | CAS | OAD | H19 | 180.0° | 89.9° |
| CAT | CAF | CAS | CAG | 0.2° | 0.0° |
| CAF | CAT | OAE | CAH | 179.8° | 179.9° |
| CAF | CAT | CAH | CAU | 1.7° | 0.1° |
| CAF | CAT | CAH | H11 | 178.3° | 180.0° |
| CAF | CAT | OAE | H20 | 180.0° | 90.0° |
| CAS | CAG | CAU | H10 | 180.0° | 179.9° |
| CAS | CAG | CAU | CAH | 2.1° | 0.0° |
| CAS | CAG | CAU | CAX | 179.3° | 179.9° |
| CAG | CAS | CAF | H9 | 179.8° | 179.7° |
| CAG | CAS | OAD | H19 | 0.2° | 90.0° |
| OAE | CAT | CAH | CAU | 178.5° | 179.9° |
| OAE | CAT | CAF | H9 | 0.1° | 0.2° |
| OAE | CAT | CAH | H11 | 1.5° | 0.1° |
| CAT | CAH | CAU | CAG | 2.5° | 0.0° |
| CAT | CAH | CAU | H11 | 180.0° | 180.0° |
| CAT | CAH | CAU | CAX | 179.5° | 179.9° |
| CAH | CAT | CAF | H9 | 179.7° | 179.7° |
| CAH | CAT | OAE | H20 | 0.2° | 90.1° |
| CAG | CAU | CAH | CAX | 177.0° | 180.0° |
| CAG | CAU | CAX | CAW | 136.3° | 123.2° |
| CAG | CAU | CAX | SAP | 41.7° | 57.0° |
| CAG | CAU | CAH | H11 | 177.5° | 180.0° |
| CAH | CAU | CAX | CAW | 46.7° | 56.8° |
| CAH | CAU | CAX | SAP | 135.4° | 123.0° |
| CAH | CAU | CAG | H10 | 178.0° | 179.9° |
| CAU | CAX | CAW | SAP | 178.0° | 179.8° |
| CAU | CAX | CAW | CAQ | 1.3° | 0.0° |
| CAU | CAX | CAW | NAL | 178.6° | 180.0° |
| CAU | CAX | SAP | CAV | 179.4° | 180.0° |
| CAX | CAU | CAG | H10 | 0.7° | 0.0° |
| CAX | CAU | CAH | H11 | 0.5° | 0.1° |
| CAA | CAQ | CAW | CAX | 14.2° | 173.9° |
| CAA | CAQ | CAW | OAB | 174.3° | 180.0° |
| CAA | CAQ | CAW | NAL | 165.7° | 6.1° |
| CAQ | CAA | H6 | H7 | 120.0° | 120.0° |
| CAQ | CAA | H6 | H8 | 120.0° | 120.0° |
| CAQ | CAA | H7 | H8 | 120.0° | 120.0° |
| CAX | CAW | CAQ | NAL | 179.9° | 180.0° |
| CAX | CAW | CAQ | OAB | 171.5° | 6.1° |
| CAW | CAX | SAP | CAV | 0.9° | 0.2° |
| CAX | CAW | NAL | CAV | 0.1° | 0.0° |
| SAP | CAX | CAW | CAQ | 179.4° | 179.9° |
| SAP | CAX | CAW | NAL | 0.6° | 0.1° |
| CAX | SAP | CAV | NAL | 0.9° | 0.2° |
| CAX | SAP | CAV | NAO | 179.0° | 180.0° |
| CAQ | CAW | NAL | CAV | 179.9° | 180.0° |
| CAW | CAQ | CAA | H6 | 174.4° | 60.0° |
| CAW | CAQ | CAA | H7 | 54.4° | 180.0° |
| CAW | CAQ | CAA | H8 | 65.6° | 60.0° |
| OAB | CAQ | CAW | NAL | 8.6° | 174.0° |
| OAB | CAQ | CAA | H6 | 0.0° | 120.0° |
| OAB | CAQ | CAA | H7 | 120.0° | 0.0° |
| OAB | CAQ | CAA | H8 | 120.0° | 120.0° |
| CAW | NAL | CAV | SAP | 0.8° | 0.1° |
| CAW | NAL | CAV | NAO | 179.0° | 179.9° |
| SAP | CAV | NAL | NAO | 178.2° | 179.8° |
| SAP | CAV | NAO | C | 0.1° | 179.8° |
| SAP | CAV | NAO | H18 | 179.9° | 0.2° |
| NAL | CAV | NAO | C | 177.9° | 0.0° |
| NAL | CAV | NAO | H18 | 2.1° | 180.0° |
| CAV | NAO | C | O | 2.1° | 0.0° |
| CAV | NAO | C | H18 | 180.0° | 180.0° |
| CAV | NAO | C | CA | 177.7° | 180.0° |
| O | C | NAO | CA | 179.7° | 180.0° |
| O | C | CA | N | 17.6° | 20.0° |
| O | C | CA | CB | 103.4° | 99.9° |
| O | C | CA | H3 | 136.9° | 140.1° |
| O | C | NAO | H18 | 177.9° | 180.0° |
| NAO | C | CA | N | 162.2° | 160.0° |
| NAO | C | CA | CB | 76.8° | 80.1° |
| NAO | C | CA | H3 | 42.9° | 39.9° |
| C | CA | N | CB | 122.1° | 120.0° |
| C | CA | N | H3 | 118.8° | 120.1° |
| C | CA | N | CAJ | 177.8° | 179.3° |
| C | CA | CB | H3 | 119.5° | 120.0° |
| C | CA | CB | NAM | 176.5° | 178.4° |
| C | CA | N | H1 | 62.2° | 55.4° |
| C | CA | CB | H4 | 56.6° | 61.7° |
| C | CA | CB | H5 | 63.6° | 58.4° |
| CA | C | NAO | H18 | 2.3° | 0.0° |
| CA | N | CAJ | H1 | 120.1° | 123.9° |
| N | CA | CB | H3 | 119.4° | 120.0° |
| CA | N | CAJ | CAI | 56.0° | 59.3° |
| N | CA | CB | NAM | 62.5° | 58.4° |
| N | CA | CB | H4 | 177.6° | 178.3° |
| N | CA | CB | H5 | 57.4° | 61.6° |
| CA | N | CAJ | H14 | 176.3° | 179.3° |
| CA | N | CAJ | H15 | 64.2° | 60.7° |
| CAJ | N | CA | CB | 60.1° | 59.3° |
| N | CAJ | CAI | H14 | 120.3° | 120.0° |
| N | CAJ | CAI | H15 | 120.3° | 120.0° |
| N | CAJ | CAI | NAM | 54.7° | 58.4° |
| CAJ | N | CA | H3 | 59.0° | 60.6° |
| N | CAJ | CAI | H12 | 65.5° | 61.6° |
| N | CAJ | CAI | H13 | 174.9° | 178.3° |
| N | CAJ | H14 | H15 | 119.3° | 120.0° |
| CA | CB | NAM | H4 | 119.9° | 119.9° |
| CA | CB | NAM | H5 | 119.9° | 120.0° |
| CA | CB | NAM | CAI | 60.7° | 59.3° |
| CB | CA | N | H1 | 59.9° | 64.6° |
| CA | CB | H4 | H5 | 120.3° | 120.1° |
| CA | CB | NAM | H16 | 59.4° | 64.6° |
| CAJ | CAI | NAM | CB | 56.8° | 59.3° |
| CAJ | CAI | NAM | H12 | 120.2° | 120.0° |
| CAJ | CAI | NAM | H13 | 120.2° | 120.0° |
| CAI | CAJ | N | H1 | 64.0° | 64.5° |
| CAJ | CAI | H12 | H13 | 119.3° | 120.1° |
| CAI | CAJ | H14 | H15 | 119.2° | 120.0° |
| CAJ | CAI | NAM | H16 | 63.2° | 64.6° |
| CB | NAM | CAI | H16 | 120.1° | 123.9° |
| NAM | CB | CA | H3 | 56.9° | 61.6° |
| NAM | CB | H4 | H5 | 120.2° | 120.0° |
| CB | NAM | CAI | H12 | 63.4° | 60.7° |
| CB | NAM | CAI | H13 | 177.1° | 179.3° |
| CAI | NAM | CB | H4 | 179.4° | 179.2° |
| CAI | NAM | CB | H5 | 59.2° | 60.7° |
| NAM | CAI | H12 | H13 | 119.3° | 120.0° |
| NAM | CAI | CAJ | H14 | 174.9° | 178.4° |
| NAM | CAI | CAJ | H15 | 65.6° | 61.6° |
| H1 | N | CA | H3 | 179.1° | 175.5° |
| H1 | N | CAJ | H14 | 56.2° | 55.4° |
| H1 | N | CAJ | H15 | 175.7° | 175.5° |
| H3 | CA | CB | H4 | 63.0° | 58.3° |
| H3 | CA | CB | H5 | 176.8° | 178.5° |
| H4 | CB | NAM | H16 | 60.5° | 55.3° |
| H5 | CB | NAM | H16 | 179.3° | 175.4° |
| H6 | CAA | H7 | H8 | 120.0° | 120.0° |
| H12 | CAI | CAJ | H14 | 54.7° | 58.4° |
| H12 | CAI | CAJ | H15 | 174.2° | 178.4° |
| H12 | CAI | NAM | H16 | 176.6° | 175.4° |
| H13 | CAI | CAJ | H14 | 64.8° | 61.7° |
| H13 | CAI | CAJ | H15 | 54.6° | 58.4° |
| H13 | CAI | NAM | H16 | 57.0° | 55.4° |
