9NB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAK | sing | 1.51Å | 1.53Å | |
| CAK | OAB | doub | 1.21Å | 1.23Å | |
| CAK | CAN | sing | 1.47Å | 1.40Å | |
| CAG | CAN | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.37Å | 1.39Å | Aromatic |
| CAN | CAH | sing | 1.40Å | 1.38Å | Aromatic |
| CAE | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAF | doub | 1.37Å | 1.39Å | Aromatic |
| CAM | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | NAJ | sing | 1.39Å | 1.35Å | |
| NAJ | CAL | sing | 1.35Å | 1.36Å | |
| SAD | CAI | sing | 1.81Å | 1.84Å | |
| CAL | OAC | doub | 1.21Å | 1.23Å | |
| CAL | CAI | sing | 1.51Å | 1.54Å | |
| SAD | H1 | sing | 1.35Å | 1.30Å | |
| CAI | H2 | sing | 1.09Å | 1.10Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| NAJ | H4 | sing | 0.97Å | 1.00Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAK | OAB | 121.1° | 120.0° |
| CAA | CAK | CAN | 116.3° | 120.0° |
| CAK | CAA | H7 | 109.5° | 109.5° |
| CAK | CAA | H8 | 109.5° | 109.5° |
| CAK | CAA | H9 | 109.5° | 109.5° |
| OAB | CAK | CAN | 122.4° | 120.0° |
| CAK | CAN | CAG | 121.7° | 120.1° |
| CAK | CAN | CAH | 119.7° | 120.1° |
| CAN | CAG | CAE | 120.6° | 119.9° |
| CAG | CAN | CAH | 118.2° | 119.7° |
| CAN | CAG | H6 | 119.7° | 120.1° |
| CAG | CAE | CAM | 121.7° | 120.1° |
| CAG | CAE | H5 | 119.1° | 119.9° |
| CAE | CAG | H6 | 119.7° | 120.0° |
| CAN | CAH | CAF | 120.7° | 120.0° |
| CAN | CAH | H10 | 119.6° | 120.0° |
| CAE | CAM | CAF | 116.7° | 120.2° |
| CAE | CAM | NAJ | 116.8° | 119.9° |
| CAM | CAE | H5 | 119.1° | 120.0° |
| CAH | CAF | CAM | 121.6° | 120.1° |
| CAF | CAH | H10 | 119.7° | 120.1° |
| CAH | CAF | H11 | 119.2° | 119.9° |
| CAF | CAM | NAJ | 125.7° | 119.9° |
| CAM | CAF | H11 | 119.2° | 120.0° |
| CAM | NAJ | CAL | 124.2° | 120.0° |
| CAM | NAJ | H4 | 117.9° | 120.0° |
| NAJ | CAL | OAC | 126.6° | 120.0° |
| NAJ | CAL | CAI | 113.9° | 120.0° |
| CAL | NAJ | H4 | 117.9° | 120.0° |
| SAD | CAI | CAL | 112.5° | 109.5° |
| CAI | SAD | H1 | 102.0° | 103.0° |
| SAD | CAI | H2 | 108.7° | 109.5° |
| SAD | CAI | H3 | 108.7° | 109.5° |
| OAC | CAL | CAI | 118.5° | 120.0° |
| CAL | CAI | H2 | 108.7° | 109.4° |
| CAL | CAI | H3 | 108.7° | 109.5° |
| H2 | CAI | H3 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H9 | 109.4° | 109.5° |
| H8 | CAA | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAK | OAB | CAN | 175.8° | 180.0° |
| CAA | CAK | CAN | CAG | 6.7° | 180.0° |
| CAA | CAK | CAN | CAH | 166.3° | 0.0° |
| CAK | CAA | H7 | H8 | 120.0° | 120.0° |
| CAK | CAA | H7 | H9 | 120.0° | 120.0° |
| CAK | CAA | H8 | H9 | 120.0° | 120.0° |
| OAB | CAK | CAN | CAG | 169.2° | 0.0° |
| OAB | CAK | CAN | CAH | 17.7° | 179.9° |
| OAB | CAK | CAA | H7 | 0.0° | 0.0° |
| OAB | CAK | CAA | H8 | 120.0° | 120.0° |
| OAB | CAK | CAA | H9 | 120.0° | 120.0° |
| CAK | CAN | CAG | CAH | 173.1° | 180.0° |
| CAK | CAN | CAG | CAE | 178.2° | 179.9° |
| CAK | CAN | CAH | CAF | 175.8° | 180.0° |
| CAK | CAN | CAG | H6 | 1.8° | 0.0° |
| CAN | CAK | CAA | H7 | 176.0° | 180.0° |
| CAN | CAK | CAA | H8 | 64.0° | 60.0° |
| CAN | CAK | CAA | H9 | 56.0° | 60.0° |
| CAK | CAN | CAH | H10 | 4.2° | 0.1° |
| CAN | CAG | CAE | H6 | 180.0° | 180.0° |
| CAN | CAG | CAE | CAM | 1.6° | 0.1° |
| CAG | CAN | CAH | CAF | 2.5° | 0.0° |
| CAN | CAG | CAE | H5 | 178.4° | 180.0° |
| CAG | CAN | CAH | H10 | 177.5° | 179.9° |
| CAE | CAG | CAN | CAH | 5.1° | 0.0° |
| CAG | CAE | CAM | H5 | 180.0° | 179.9° |
| CAG | CAE | CAM | CAF | 4.4° | 0.1° |
| CAG | CAE | CAM | NAJ | 174.9° | 179.8° |
| CAN | CAH | CAF | H10 | 180.0° | 179.9° |
| CAN | CAH | CAF | CAM | 3.7° | 0.0° |
| CAH | CAN | CAG | H6 | 174.9° | 180.0° |
| CAN | CAH | CAF | H11 | 176.3° | 179.8° |
| CAE | CAM | CAF | CAH | 7.0° | 0.0° |
| CAE | CAM | CAF | NAJ | 169.5° | 179.7° |
| CAE | CAM | NAJ | CAL | 168.6° | 35.4° |
| CAE | CAM | NAJ | H4 | 11.4° | 144.5° |
| CAM | CAE | CAG | H6 | 178.4° | 179.9° |
| CAE | CAM | CAF | H11 | 173.0° | 179.7° |
| CAH | CAF | CAM | H11 | 180.0° | 179.7° |
| CAH | CAF | CAM | NAJ | 176.5° | 179.7° |
| CAF | CAM | NAJ | CAL | 0.9° | 144.9° |
| CAF | CAM | NAJ | H4 | 179.1° | 35.2° |
| CAF | CAM | CAE | H5 | 175.6° | 180.0° |
| CAM | CAF | CAH | H10 | 176.3° | 179.9° |
| CAM | NAJ | CAL | H4 | 180.0° | 179.9° |
| CAM | NAJ | CAL | OAC | 11.4° | 4.5° |
| CAM | NAJ | CAL | CAI | 180.0° | 175.4° |
| NAJ | CAM | CAE | H5 | 5.1° | 0.3° |
| NAJ | CAM | CAF | H11 | 3.5° | 0.0° |
| NAJ | CAL | CAI | SAD | 89.3° | 180.0° |
| NAJ | CAL | OAC | CAI | 168.2° | 179.9° |
| NAJ | CAL | CAI | H2 | 31.2° | 60.1° |
| NAJ | CAL | CAI | H3 | 150.3° | 60.0° |
| SAD | CAI | CAL | OAC | 80.4° | 0.1° |
| SAD | CAI | CAL | H2 | 120.5° | 120.0° |
| SAD | CAI | CAL | H3 | 120.4° | 120.0° |
| SAD | CAI | H2 | H3 | 118.6° | 120.0° |
| OAC | CAL | CAI | H2 | 159.2° | 120.0° |
| OAC | CAL | CAI | H3 | 40.1° | 119.9° |
| OAC | CAL | NAJ | H4 | 168.7° | 175.4° |
| CAL | CAI | SAD | H1 | 180.0° | 180.0° |
| CAL | CAI | H2 | H3 | 118.6° | 120.0° |
| CAI | CAL | NAJ | H4 | 0.0° | 4.7° |
| H1 | SAD | CAI | H2 | 59.6° | 60.0° |
| H1 | SAD | CAI | H3 | 59.5° | 60.0° |
| H5 | CAE | CAG | H6 | 1.6° | 0.0° |
| H7 | CAA | H8 | H9 | 119.9° | 120.0° |
| H10 | CAH | CAF | H11 | 3.7° | 0.3° |
