BNK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | SAV | doub | 1.42Å | 1.47Å | |
| CAK | CAU | sing | 1.54Å | 1.51Å | |
| CAK | CAI | sing | 1.54Å | 1.51Å | |
| OAC | SAV | doub | 1.42Å | 1.47Å | |
| NAM | SAV | sing | 1.66Å | 1.64Å | |
| NAM | CAU | sing | 1.47Å | 1.41Å | |
| SAV | CAS | sing | 1.76Å | 1.78Å | |
| CAU | CAL | sing | 1.54Å | 1.47Å | |
| CAI | CAJ | sing | 1.55Å | 1.47Å | |
| CAL | CAJ | sing | 1.55Å | 1.46Å | |
| CL | CAP | sing | 1.74Å | 1.73Å | |
| CAS | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAQ | doub | 1.40Å | 1.39Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAF | sing | 1.40Å | 1.39Å | Aromatic |
| CAQ | CAR | sing | 1.48Å | 1.49Å | |
| NAN | CAR | sing | 1.37Å | 1.37Å | |
| NAN | CAT | sing | 1.34Å | 1.34Å | |
| CAR | CAG | doub | 1.34Å | 1.41Å | |
| OAA | CAT | doub | 1.22Å | 1.36Å | |
| CAT | SAO | sing | 1.77Å | 1.69Å | |
| CAG | SAO | sing | 1.77Å | 1.69Å | |
| CAK | H1 | sing | 1.09Å | 1.10Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAJ | H5 | sing | 1.09Å | 1.10Å | |
| CAJ | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAU | H9 | sing | 1.09Å | 1.10Å | |
| NAM | H10 | sing | 0.97Å | 1.00Å | |
| CAH | H11 | sing | 1.08Å | 1.08Å | |
| CAE | H12 | sing | 1.08Å | 1.08Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAG | H14 | sing | 1.08Å | 1.08Å | |
| NAN | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | SAV | OAC | 112.5° | 123.2° |
| OAB | SAV | NAM | 111.1° | 106.4° |
| OAB | SAV | CAS | 110.0° | 106.4° |
| CAU | CAK | CAI | 106.6° | 106.6° |
| CAK | CAU | NAM | 110.7° | 110.0° |
| CAK | CAU | CAL | 105.8° | 106.6° |
| CAU | CAK | H1 | 110.2° | 110.0° |
| CAU | CAK | H2 | 110.2° | 110.0° |
| CAK | CAU | H9 | 109.9° | 110.0° |
| CAK | CAI | CAJ | 105.8° | 104.2° |
| CAI | CAK | H1 | 110.2° | 110.0° |
| CAI | CAK | H2 | 110.2° | 110.0° |
| CAK | CAI | H3 | 110.4° | 110.5° |
| CAK | CAI | H4 | 110.4° | 110.5° |
| OAC | SAV | NAM | 106.7° | 106.4° |
| OAC | SAV | CAS | 106.7° | 106.4° |
| SAV | NAM | CAU | 116.3° | 120.0° |
| NAM | SAV | CAS | 109.6° | 107.2° |
| SAV | NAM | H10 | 107.7° | 120.0° |
| NAM | CAU | CAL | 108.6° | 110.1° |
| NAM | CAU | H9 | 111.3° | 110.1° |
| CAU | NAM | H10 | 107.7° | 120.0° |
| SAV | CAS | CAP | 124.3° | 120.0° |
| SAV | CAS | CAH | 117.5° | 119.9° |
| CAU | CAL | CAJ | 106.7° | 104.1° |
| CAU | CAL | H7 | 110.1° | 110.5° |
| CAU | CAL | H8 | 110.2° | 110.6° |
| CAL | CAU | H9 | 110.4° | 110.0° |
| CAI | CAJ | CAL | 106.4° | 102.8° |
| CAJ | CAI | H3 | 110.4° | 110.5° |
| CAJ | CAI | H4 | 110.4° | 110.5° |
| CAI | CAJ | H5 | 110.2° | 110.8° |
| CAI | CAJ | H6 | 110.2° | 110.8° |
| CAL | CAJ | H5 | 110.2° | 110.7° |
| CAL | CAJ | H6 | 110.2° | 110.9° |
| CAJ | CAL | H7 | 110.2° | 110.5° |
| CAJ | CAL | H8 | 110.1° | 110.5° |
| CL | CAP | CAS | 122.7° | 119.8° |
| CL | CAP | CAE | 117.4° | 119.9° |
| CAP | CAS | CAH | 118.2° | 120.1° |
| CAS | CAP | CAE | 119.9° | 120.3° |
| CAS | CAH | CAQ | 121.5° | 119.9° |
| CAS | CAH | H11 | 119.2° | 120.1° |
| CAP | CAE | CAF | 121.4° | 120.1° |
| CAP | CAE | H12 | 119.3° | 120.0° |
| CAH | CAQ | CAF | 120.1° | 119.7° |
| CAH | CAQ | CAR | 117.9° | 120.1° |
| CAQ | CAH | H11 | 119.2° | 120.0° |
| CAE | CAF | CAQ | 118.8° | 119.9° |
| CAF | CAE | H12 | 119.3° | 119.9° |
| CAE | CAF | H13 | 120.6° | 120.1° |
| CAF | CAQ | CAR | 121.9° | 120.2° |
| CAQ | CAF | H13 | 120.6° | 120.0° |
| CAQ | CAR | NAN | 120.9° | 121.2° |
| CAQ | CAR | CAG | 125.5° | 121.2° |
| CAR | NAN | CAT | 115.6° | 117.3° |
| NAN | CAR | CAG | 113.4° | 117.6° |
| CAR | NAN | H15 | 122.2° | 121.3° |
| NAN | CAT | OAA | 124.5° | 127.4° |
| NAN | CAT | SAO | 108.3° | 105.3° |
| CAT | NAN | H15 | 122.2° | 121.4° |
| CAR | CAG | SAO | 106.5° | 105.3° |
| CAR | CAG | H14 | 126.8° | 127.4° |
| OAA | CAT | SAO | 127.2° | 127.4° |
| CAT | SAO | CAG | 96.2° | 94.5° |
| SAO | CAG | H14 | 126.8° | 127.3° |
| H1 | CAK | H2 | 109.4° | 110.1° |
| H3 | CAI | H4 | 109.5° | 110.5° |
| H5 | CAJ | H6 | 109.5° | 110.6° |
| H7 | CAL | H8 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | SAV | OAC | NAM | 122.1° | 122.9° |
| OAB | SAV | OAC | CAS | 120.8° | 123.0° |
| OAB | SAV | NAM | CAS | 121.9° | 113.5° |
| OAB | SAV | NAM | CAU | 45.5° | 177.2° |
| OAB | SAV | CAS | CAP | 39.0° | 49.6° |
| OAB | SAV | CAS | CAH | 141.0° | 130.6° |
| OAB | SAV | NAM | H10 | 75.5° | 2.8° |
| CAU | CAK | CAI | H1 | 119.6° | 119.3° |
| CAU | CAK | CAI | H2 | 119.6° | 119.3° |
| CAK | CAU | NAM | SAV | 143.4° | 115.0° |
| CAK | CAU | NAM | CAL | 115.8° | 117.2° |
| CAK | CAU | NAM | H9 | 122.5° | 121.4° |
| CAK | CAU | CAL | H9 | 118.8° | 119.3° |
| CAU | CAK | CAI | CAJ | 9.8° | 23.6° |
| CAK | CAU | CAL | CAJ | 23.8° | 23.6° |
| CAU | CAK | H1 | H2 | 121.3° | 121.5° |
| CAU | CAK | CAI | H3 | 109.6° | 95.1° |
| CAU | CAK | CAI | H4 | 129.2° | 142.3° |
| CAK | CAU | CAL | H7 | 143.4° | 95.0° |
| CAK | CAU | CAL | H8 | 95.7° | 142.3° |
| CAK | CAU | NAM | H10 | 22.5° | 65.1° |
| CAI | CAK | CAU | NAM | 109.1° | 119.3° |
| CAI | CAK | CAU | CAL | 8.4° | 0.0° |
| CAK | CAI | CAJ | H3 | 119.4° | 118.7° |
| CAK | CAI | CAJ | H4 | 119.4° | 118.7° |
| CAK | CAI | CAJ | CAL | 24.7° | 38.0° |
| CAI | CAK | H1 | H2 | 121.3° | 121.4° |
| CAK | CAI | H3 | H4 | 121.7° | 122.6° |
| CAK | CAI | CAJ | H5 | 144.2° | 156.3° |
| CAK | CAI | CAJ | H6 | 94.9° | 80.6° |
| CAI | CAK | CAU | H9 | 127.6° | 119.3° |
| OAC | SAV | NAM | CAS | 115.2° | 113.6° |
| OAC | SAV | NAM | CAU | 168.5° | 49.9° |
| OAC | SAV | CAS | CAP | 161.4° | 177.5° |
| OAC | SAV | CAS | CAH | 18.7° | 2.3° |
| OAC | SAV | NAM | H10 | 47.5° | 130.2° |
| SAV | NAM | CAU | H10 | 121.0° | 179.9° |
| SAV | NAM | CAU | CAL | 100.8° | 127.8° |
| NAM | SAV | CAS | CAP | 83.5° | 63.9° |
| NAM | SAV | CAS | CAH | 96.5° | 115.9° |
| SAV | NAM | CAU | H9 | 20.9° | 6.4° |
| CAU | NAM | SAV | CAS | 76.3° | 63.7° |
| NAM | CAU | CAL | H9 | 122.3° | 121.5° |
| NAM | CAU | CAL | CAJ | 95.0° | 95.7° |
| NAM | CAU | CAK | H1 | 131.4° | 0.1° |
| NAM | CAU | CAK | H2 | 10.5° | 121.4° |
| NAM | CAU | CAL | H7 | 24.6° | 145.7° |
| NAM | CAU | CAL | H8 | 145.4° | 23.0° |
| SAV | CAS | CAP | CL | 0.2° | 0.0° |
| SAV | CAS | CAP | CAH | 180.0° | 179.8° |
| SAV | CAS | CAP | CAE | 179.9° | 180.0° |
| SAV | CAS | CAH | CAQ | 179.4° | 180.0° |
| CAS | SAV | NAM | H10 | 162.7° | 116.3° |
| SAV | CAS | CAH | H11 | 0.6° | 0.0° |
| CAU | CAL | CAJ | CAI | 30.5° | 37.9° |
| CAU | CAL | CAJ | H7 | 119.6° | 118.7° |
| CAU | CAL | CAJ | H8 | 119.6° | 118.8° |
| CAL | CAU | CAK | H1 | 111.2° | 119.3° |
| CAL | CAU | CAK | H2 | 127.9° | 119.2° |
| CAU | CAL | CAJ | H5 | 150.1° | 156.3° |
| CAU | CAL | CAJ | H6 | 89.0° | 80.5° |
| CAU | CAL | H7 | H8 | 121.3° | 122.7° |
| CAL | CAU | NAM | H10 | 138.2° | 52.1° |
| CAI | CAJ | CAL | H5 | 119.5° | 118.3° |
| CAI | CAJ | CAL | H6 | 119.5° | 118.4° |
| CAJ | CAI | CAK | H1 | 129.4° | 95.7° |
| CAJ | CAI | CAK | H2 | 109.7° | 142.9° |
| CAJ | CAI | H3 | H4 | 121.7° | 122.6° |
| CAI | CAJ | H5 | H6 | 121.4° | 123.2° |
| CAI | CAJ | CAL | H7 | 150.1° | 80.7° |
| CAI | CAJ | CAL | H8 | 89.1° | 156.7° |
| CAL | CAJ | CAI | H3 | 94.8° | 80.7° |
| CAL | CAJ | CAI | H4 | 144.1° | 156.6° |
| CAL | CAJ | H5 | H6 | 121.4° | 123.4° |
| CAJ | CAL | H7 | H8 | 121.3° | 122.6° |
| CAJ | CAL | CAU | H9 | 142.7° | 142.9° |
| CL | CAP | CAS | CAE | 179.7° | 180.0° |
| CL | CAP | CAS | CAH | 179.8° | 179.8° |
| CL | CAP | CAE | CAF | 179.8° | 180.0° |
| CL | CAP | CAE | H12 | 0.2° | 0.1° |
| CAP | CAS | CAH | CAQ | 0.6° | 0.2° |
| CAS | CAP | CAE | CAF | 0.0° | 0.0° |
| CAP | CAS | CAH | H11 | 179.4° | 179.7° |
| CAS | CAP | CAE | H12 | 180.0° | 180.0° |
| CAH | CAS | CAP | CAE | 0.1° | 0.2° |
| CAS | CAH | CAQ | H11 | 180.0° | 179.9° |
| CAS | CAH | CAQ | CAF | 1.3° | 0.1° |
| CAS | CAH | CAQ | CAR | 178.7° | 180.0° |
| CAP | CAE | CAF | H12 | 180.0° | 180.0° |
| CAP | CAE | CAF | CAQ | 0.7° | 0.3° |
| CAP | CAE | CAF | H13 | 179.3° | 180.0° |
| CAH | CAQ | CAF | CAE | 1.4° | 0.3° |
| CAH | CAQ | CAF | CAR | 177.2° | 179.9° |
| CAH | CAQ | CAR | NAN | 21.8° | 179.8° |
| CAH | CAQ | CAR | CAG | 154.6° | 0.0° |
| CAH | CAQ | CAF | H13 | 178.6° | 179.9° |
| CAE | CAF | CAQ | H13 | 180.0° | 179.7° |
| CAE | CAF | CAQ | CAR | 178.6° | 179.7° |
| CAF | CAQ | CAR | NAN | 160.9° | 0.3° |
| CAF | CAQ | CAR | CAG | 22.7° | 179.9° |
| CAF | CAQ | CAH | H11 | 178.7° | 180.0° |
| CAQ | CAF | CAE | H12 | 179.3° | 179.7° |
| CAQ | CAR | NAN | CAG | 176.8° | 179.8° |
| CAQ | CAR | NAN | CAT | 177.1° | 179.8° |
| CAQ | CAR | CAG | SAO | 177.9° | 180.0° |
| CAR | CAQ | CAH | H11 | 1.4° | 0.0° |
| CAR | CAQ | CAF | H13 | 1.4° | 0.0° |
| CAQ | CAR | CAG | H14 | 2.1° | 0.0° |
| CAQ | CAR | NAN | H15 | 2.9° | 0.0° |
| CAR | NAN | CAT | H15 | 180.0° | 179.8° |
| CAR | NAN | CAT | OAA | 178.9° | 179.8° |
| CAR | NAN | CAT | SAO | 0.7° | 0.4° |
| NAN | CAR | CAG | SAO | 1.2° | 0.2° |
| NAN | CAR | CAG | H14 | 178.8° | 179.8° |
| CAT | NAN | CAR | CAG | 0.3° | 0.4° |
| NAN | CAT | OAA | SAO | 177.8° | 179.7° |
| NAN | CAT | SAO | CAG | 1.3° | 0.2° |
| CAR | CAG | SAO | CAT | 1.4° | 0.0° |
| CAR | CAG | SAO | H14 | 180.0° | 180.0° |
| CAG | CAR | NAN | H15 | 179.7° | 179.8° |
| OAA | CAT | SAO | CAG | 179.4° | 180.0° |
| OAA | CAT | NAN | H15 | 1.0° | 0.0° |
| CAT | SAO | CAG | H14 | 178.6° | 180.0° |
| SAO | CAT | NAN | H15 | 179.2° | 179.8° |
| H1 | CAK | CAI | H3 | 10.0° | 145.6° |
| H1 | CAK | CAI | H4 | 111.2° | 23.0° |
| H1 | CAK | CAU | H9 | 8.0° | 121.5° |
| H2 | CAK | CAI | H3 | 130.9° | 24.2° |
| H2 | CAK | CAI | H4 | 9.7° | 98.4° |
| H2 | CAK | CAU | H9 | 112.9° | 0.0° |
| H3 | CAI | CAJ | H5 | 24.8° | 37.6° |
| H3 | CAI | CAJ | H6 | 145.7° | 160.7° |
| H4 | CAI | CAJ | H5 | 96.4° | 85.0° |
| H4 | CAI | CAJ | H6 | 24.5° | 38.1° |
| H5 | CAJ | CAL | H7 | 90.4° | 37.6° |
| H5 | CAJ | CAL | H8 | 30.5° | 84.9° |
| H6 | CAJ | CAL | H7 | 30.5° | 160.9° |
| H6 | CAJ | CAL | H8 | 151.4° | 38.3° |
| H7 | CAL | CAU | H9 | 97.7° | 24.2° |
| H8 | CAL | CAU | H9 | 23.1° | 98.4° |
| H9 | CAU | NAM | H10 | 100.1° | 173.6° |
| H12 | CAE | CAF | H13 | 0.7° | 0.1° |
