2B6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAQ | CAL | doub | 1.32Å | 1.40Å | Aromatic |
| NAQ | CAU | sing | 1.32Å | 1.34Å | Aromatic |
| CAL | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | CAU | sing | 1.51Å | 1.42Å | |
| CAU | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| CAW | CAM | sing | 1.51Å | 1.43Å | |
| CAW | CAY | doub | 1.39Å | 1.41Å | Aromatic |
| CAM | OAR | sing | 1.43Å | 1.45Å | |
| CAV | CAY | sing | 1.39Å | 1.42Å | Aromatic |
| CAV | OAD | sing | 1.36Å | 1.37Å | |
| CAY | CAG | sing | 1.51Å | 1.38Å | |
| OAF | PBB | doub | 1.48Å | 1.55Å | |
| OAR | PBB | sing | 1.61Å | 1.63Å | |
| PBB | OAE | sing | 1.61Å | 1.60Å | |
| PBB | OAC | sing | 1.61Å | 1.47Å | |
| CAG | NAN | sing | 1.47Å | 1.34Å | |
| NAN | NAO | doub | 1.24Å | 1.37Å | |
| NAO | CAT | sing | 1.35Å | 1.35Å | |
| CAT | OAB | doub | 1.21Å | 1.23Å | |
| CAT | CAX | sing | 1.47Å | 1.32Å | |
| CAX | NAP | doub | 1.29Å | 1.34Å | Aromatic |
| CAX | SAS | sing | 1.76Å | 1.66Å | Aromatic |
| NAP | CAZ | sing | 1.33Å | 1.37Å | Aromatic |
| SAS | CBA | sing | 1.76Å | 1.60Å | Aromatic |
| CAZ | CBA | doub | 1.40Å | 1.37Å | Aromatic |
| CAZ | CAJ | sing | 1.42Å | 1.34Å | Aromatic |
| CBA | CAK | sing | 1.40Å | 1.35Å | Aromatic |
| CAJ | CAH | doub | 1.36Å | 1.41Å | Aromatic |
| CAK | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| OAE | H1 | sing | 0.97Å | 0.95Å | |
| OAC | H2 | sing | 0.97Å | 0.95Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| OAD | H9 | sing | 0.97Å | 0.95Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.09Å | 1.10Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| CAH | H13 | sing | 1.08Å | 1.08Å | |
| CAI | H14 | sing | 1.08Å | 1.08Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | NAQ | CAU | 122.4° | 121.7° |
| NAQ | CAL | CAW | 120.7° | 120.9° |
| NAQ | CAL | H5 | 119.6° | 119.5° |
| NAQ | CAU | CAA | 119.5° | 119.6° |
| NAQ | CAU | CAV | 117.8° | 120.7° |
| CAL | CAW | CAM | 118.6° | 120.4° |
| CAL | CAW | CAY | 118.5° | 119.2° |
| CAW | CAL | H5 | 119.6° | 119.6° |
| CAA | CAU | CAV | 122.7° | 119.6° |
| CAU | CAA | H6 | 109.5° | 109.4° |
| CAU | CAA | H7 | 109.5° | 109.5° |
| CAU | CAA | H8 | 109.5° | 109.5° |
| CAU | CAV | CAY | 122.1° | 119.1° |
| CAU | CAV | OAD | 116.6° | 120.5° |
| CAM | CAW | CAY | 122.9° | 120.4° |
| CAW | CAM | OAR | 109.4° | 109.5° |
| CAW | CAM | H3 | 109.5° | 109.5° |
| CAW | CAM | H4 | 109.5° | 109.5° |
| CAW | CAY | CAV | 118.2° | 118.4° |
| CAW | CAY | CAG | 118.3° | 120.8° |
| CAM | OAR | PBB | 118.2° | 123.0° |
| OAR | CAM | H3 | 109.5° | 109.4° |
| OAR | CAM | H4 | 109.5° | 109.5° |
| CAY | CAV | OAD | 121.1° | 120.5° |
| CAV | CAY | CAG | 121.9° | 120.8° |
| CAV | OAD | H9 | 109.5° | 114.0° |
| CAY | CAG | NAN | 125.9° | 109.5° |
| CAY | CAG | H10 | 105.2° | 109.5° |
| CAY | CAG | H11 | 105.2° | 109.5° |
| OAF | PBB | OAR | 109.0° | 109.5° |
| OAF | PBB | OAE | 107.3° | 109.5° |
| OAF | PBB | OAC | 109.3° | 109.4° |
| OAR | PBB | OAE | 107.1° | 109.5° |
| OAR | PBB | OAC | 111.9° | 109.5° |
| OAE | PBB | OAC | 112.1° | 109.5° |
| PBB | OAE | H1 | 109.5° | 113.9° |
| PBB | OAC | H2 | 109.5° | 114.0° |
| CAG | NAN | NAO | 115.6° | 120.0° |
| NAN | CAG | H10 | 105.2° | 109.4° |
| NAN | CAG | H11 | 105.2° | 109.5° |
| NAN | NAO | CAT | 116.4° | 120.0° |
| NAO | CAT | OAB | 122.6° | 119.9° |
| NAO | CAT | CAX | 116.6° | 120.0° |
| OAB | CAT | CAX | 118.2° | 120.0° |
| CAT | CAX | NAP | 134.0° | 124.9° |
| CAT | CAX | SAS | 116.6° | 124.9° |
| NAP | CAX | SAS | 109.1° | 110.2° |
| CAX | NAP | CAZ | 111.5° | 118.3° |
| CAX | SAS | CBA | 96.6° | 90.3° |
| NAP | CAZ | CBA | 114.9° | 112.9° |
| NAP | CAZ | CAJ | 128.5° | 128.9° |
| SAS | CBA | CAZ | 107.9° | 108.3° |
| SAS | CBA | CAK | 128.6° | 131.4° |
| CBA | CAZ | CAJ | 116.7° | 118.2° |
| CAZ | CBA | CAK | 123.5° | 120.3° |
| CAZ | CAJ | CAH | 122.5° | 120.5° |
| CAZ | CAJ | H12 | 118.7° | 119.7° |
| CBA | CAK | CAI | 121.0° | 120.1° |
| CBA | CAK | H15 | 119.5° | 120.0° |
| CAJ | CAH | CAI | 119.9° | 120.9° |
| CAH | CAJ | H12 | 118.8° | 119.8° |
| CAJ | CAH | H13 | 120.1° | 119.6° |
| CAK | CAI | CAH | 116.5° | 120.0° |
| CAK | CAI | H14 | 121.7° | 120.0° |
| CAI | CAK | H15 | 119.5° | 119.9° |
| CAI | CAH | H13 | 120.0° | 119.5° |
| CAH | CAI | H14 | 121.8° | 120.0° |
| H3 | CAM | H4 | 109.5° | 109.5° |
| H6 | CAA | H7 | 109.5° | 109.4° |
| H6 | CAA | H8 | 109.4° | 109.4° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H10 | CAG | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAQ | CAL | CAW | H5 | 180.0° | 180.0° |
| CAL | NAQ | CAU | CAA | 179.5° | 180.0° |
| CAL | NAQ | CAU | CAV | 0.1° | 0.0° |
| NAQ | CAL | CAW | CAM | 179.1° | 180.0° |
| NAQ | CAL | CAW | CAY | 2.0° | 0.3° |
| CAU | NAQ | CAL | CAW | 0.5° | 0.0° |
| NAQ | CAU | CAA | CAV | 179.6° | 179.9° |
| NAQ | CAU | CAV | CAY | 3.2° | 0.2° |
| NAQ | CAU | CAV | OAD | 179.5° | 180.0° |
| CAU | NAQ | CAL | H5 | 179.5° | 180.0° |
| NAQ | CAU | CAA | H6 | 0.0° | 90.0° |
| NAQ | CAU | CAA | H7 | 120.0° | 150.0° |
| NAQ | CAU | CAA | H8 | 120.0° | 29.9° |
| CAL | CAW | CAM | CAY | 178.8° | 179.7° |
| CAL | CAW | CAM | OAR | 106.4° | 0.3° |
| CAL | CAW | CAY | CAV | 4.8° | 0.5° |
| CAL | CAW | CAY | CAG | 170.8° | 179.7° |
| CAL | CAW | CAM | H3 | 13.6° | 119.7° |
| CAL | CAW | CAM | H4 | 133.6° | 120.3° |
| CAA | CAU | CAV | CAY | 176.4° | 179.8° |
| CAA | CAU | CAV | OAD | 0.1° | 0.0° |
| CAU | CAA | H6 | H7 | 120.0° | 120.0° |
| CAU | CAA | H6 | H8 | 120.0° | 120.0° |
| CAU | CAA | H7 | H8 | 120.0° | 120.1° |
| CAU | CAV | CAY | CAW | 5.6° | 0.5° |
| CAU | CAV | CAY | OAD | 176.1° | 179.8° |
| CAU | CAV | CAY | CAG | 171.0° | 179.7° |
| CAV | CAU | CAA | H6 | 179.6° | 90.0° |
| CAV | CAU | CAA | H7 | 59.5° | 30.0° |
| CAV | CAU | CAA | H8 | 60.4° | 150.1° |
| CAU | CAV | OAD | H9 | 180.0° | 90.0° |
| CAW | CAM | OAR | H3 | 120.0° | 120.0° |
| CAW | CAM | OAR | H4 | 120.0° | 120.0° |
| CAM | CAW | CAY | CAV | 176.3° | 179.7° |
| CAM | CAW | CAY | CAG | 10.4° | 0.0° |
| CAW | CAM | OAR | PBB | 157.4° | 180.0° |
| CAW | CAM | H3 | H4 | 120.0° | 120.0° |
| CAM | CAW | CAL | H5 | 0.9° | 0.0° |
| CAY | CAW | CAM | OAR | 72.5° | 180.0° |
| CAW | CAY | CAV | CAG | 165.4° | 179.8° |
| CAW | CAY | CAV | OAD | 178.3° | 179.8° |
| CAW | CAY | CAG | NAN | 172.1° | 90.0° |
| CAY | CAW | CAM | H3 | 167.6° | 60.1° |
| CAY | CAW | CAM | H4 | 47.5° | 60.0° |
| CAY | CAW | CAL | H5 | 178.0° | 179.7° |
| CAW | CAY | CAG | H10 | 65.7° | 150.0° |
| CAW | CAY | CAG | H11 | 49.9° | 30.0° |
| CAM | OAR | PBB | OAF | 57.6° | 55.0° |
| CAM | OAR | PBB | OAE | 173.4° | 175.0° |
| CAM | OAR | PBB | OAC | 63.4° | 65.0° |
| OAR | CAM | H3 | H4 | 120.0° | 120.0° |
| CAV | CAY | CAG | NAN | 6.8° | 89.8° |
| CAY | CAV | OAD | H9 | 3.7° | 89.7° |
| CAV | CAY | CAG | H10 | 128.9° | 30.2° |
| CAV | CAY | CAG | H11 | 115.4° | 150.2° |
| OAD | CAV | CAY | CAG | 12.9° | 0.0° |
| CAY | CAG | NAN | H10 | 122.2° | 120.0° |
| CAY | CAG | NAN | H11 | 122.2° | 120.0° |
| CAY | CAG | NAN | NAO | 156.7° | 120.0° |
| CAY | CAG | H10 | H11 | 112.7° | 120.1° |
| OAF | PBB | OAR | OAE | 115.8° | 120.0° |
| OAF | PBB | OAR | OAC | 121.0° | 120.0° |
| OAF | PBB | OAE | OAC | 120.0° | 120.0° |
| OAF | PBB | OAE | H1 | 0.0° | 60.0° |
| OAF | PBB | OAC | H2 | 0.0° | 180.0° |
| OAR | PBB | OAE | OAC | 123.1° | 120.0° |
| OAR | PBB | OAE | H1 | 116.9° | 180.0° |
| OAR | PBB | OAC | H2 | 120.9° | 60.0° |
| PBB | OAR | CAM | H3 | 82.7° | 60.0° |
| PBB | OAR | CAM | H4 | 37.4° | 60.0° |
| OAE | PBB | OAC | H2 | 118.8° | 60.0° |
| OAC | PBB | OAE | H1 | 120.0° | 60.1° |
| CAG | NAN | NAO | CAT | 164.3° | 180.0° |
| NAN | CAG | H10 | H11 | 112.6° | 120.0° |
| NAN | NAO | CAT | OAB | 6.3° | 0.0° |
| NAN | NAO | CAT | CAX | 167.7° | 180.0° |
| NAO | NAN | CAG | H10 | 81.1° | 0.0° |
| NAO | NAN | CAG | H11 | 34.5° | 120.0° |
| NAO | CAT | OAB | CAX | 161.0° | 180.0° |
| NAO | CAT | CAX | NAP | 46.0° | 180.0° |
| NAO | CAT | CAX | SAS | 126.4° | 0.3° |
| OAB | CAT | CAX | NAP | 151.9° | 0.0° |
| OAB | CAT | CAX | SAS | 35.8° | 179.7° |
| CAT | CAX | NAP | SAS | 172.8° | 179.7° |
| CAT | CAX | NAP | CAZ | 175.2° | 180.0° |
| CAT | CAX | SAS | CBA | 176.3° | 179.9° |
| NAP | CAX | SAS | CBA | 2.1° | 0.4° |
| CAX | NAP | CAZ | CBA | 1.6° | 0.0° |
| CAX | NAP | CAZ | CAJ | 178.1° | 180.0° |
| SAS | CAX | NAP | CAZ | 2.4° | 0.3° |
| CAX | SAS | CBA | CAZ | 1.2° | 0.4° |
| CAX | SAS | CBA | CAK | 178.8° | 179.9° |
| NAP | CAZ | CBA | SAS | 0.0° | 0.3° |
| NAP | CAZ | CBA | CAJ | 179.8° | 179.9° |
| NAP | CAZ | CBA | CAK | 180.0° | 180.0° |
| NAP | CAZ | CAJ | CAH | 179.8° | 180.0° |
| NAP | CAZ | CAJ | H12 | 0.2° | 0.1° |
| SAS | CBA | CAZ | CAK | 180.0° | 179.7° |
| SAS | CBA | CAZ | CAJ | 179.7° | 179.8° |
| SAS | CBA | CAK | CAI | 179.9° | 179.7° |
| SAS | CBA | CAK | H15 | 0.1° | 0.4° |
| CBA | CAZ | CAJ | CAH | 0.0° | 0.0° |
| CAZ | CBA | CAK | CAI | 0.1° | 0.0° |
| CBA | CAZ | CAJ | H12 | 180.0° | 180.0° |
| CAZ | CBA | CAK | H15 | 179.9° | 180.0° |
| CAJ | CAZ | CBA | CAK | 0.2° | 0.0° |
| CAZ | CAJ | CAH | H12 | 180.0° | 180.0° |
| CAZ | CAJ | CAH | CAI | 0.3° | 0.1° |
| CAZ | CAJ | CAH | H13 | 179.7° | 179.9° |
| CBA | CAK | CAI | H15 | 180.0° | 179.9° |
| CBA | CAK | CAI | CAH | 0.3° | 0.0° |
| CBA | CAK | CAI | H14 | 179.7° | 180.0° |
| CAJ | CAH | CAI | CAK | 0.5° | 0.1° |
| CAJ | CAH | CAI | H13 | 180.0° | 179.9° |
| CAJ | CAH | CAI | H14 | 179.5° | 180.0° |
| CAK | CAI | CAH | H14 | 180.0° | 180.0° |
| CAK | CAI | CAH | H13 | 179.5° | 179.9° |
| CAI | CAH | CAJ | H12 | 179.7° | 180.0° |
| CAH | CAI | CAK | H15 | 179.7° | 180.0° |
| H6 | CAA | H7 | H8 | 120.0° | 119.9° |
| H12 | CAJ | CAH | H13 | 0.3° | 0.1° |
| H13 | CAH | CAI | H14 | 0.5° | 0.1° |
| H14 | CAI | CAK | H15 | 0.3° | 0.1° |
