KMW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAP | CAO | sing | 1.35Å | 1.35Å | |
| CAO | OAQ | doub | 1.22Å | 1.23Å | |
| CAO | CAM | sing | 1.48Å | 1.36Å | |
| CAN | CAM | doub | 1.40Å | 1.40Å | Aromatic |
| CAN | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAS | doub | 1.38Å | 1.38Å | Aromatic |
| CAR | CAG | sing | 1.39Å | 1.40Å | Aromatic |
| OAH | CAI | sing | 1.36Å | 1.35Å | |
| OAH | CAG | sing | 1.36Å | 1.36Å | |
| CAM | CAL | sing | 1.40Å | 1.38Å | Aromatic |
| CAI | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAS | CAD | sing | 1.40Å | 1.40Å | Aromatic |
| CAG | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| OAC | CAB | doub | 1.22Å | 1.23Å | |
| CAD | CAB | sing | 1.48Å | 1.38Å | |
| CAD | CAE | doub | 1.40Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | NAA | sing | 1.35Å | 1.33Å | |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| NAA | H3 | sing | 0.97Å | 1.00Å | |
| NAA | H4 | sing | 0.97Å | 1.00Å | |
| CAS | H5 | sing | 1.08Å | 1.08Å | |
| CAR | H6 | sing | 1.08Å | 1.08Å | |
| CAN | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| CAL | H10 | sing | 1.08Å | 1.08Å | |
| NAP | H11 | sing | 0.97Å | 1.00Å | |
| NAP | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAP | CAO | OAQ | 124.2° | 120.0° |
| NAP | CAO | CAM | 116.5° | 120.0° |
| CAO | NAP | H11 | 120.0° | 120.0° |
| CAO | NAP | H12 | 120.0° | 120.0° |
| OAQ | CAO | CAM | 119.1° | 120.0° |
| CAO | CAM | CAN | 122.1° | 120.1° |
| CAO | CAM | CAL | 119.0° | 120.1° |
| CAM | CAN | CAI | 120.2° | 119.8° |
| CAN | CAM | CAL | 118.9° | 119.7° |
| CAM | CAN | H7 | 119.9° | 120.1° |
| CAN | CAI | OAH | 115.5° | 120.0° |
| CAN | CAI | CAJ | 121.0° | 120.1° |
| CAI | CAN | H7 | 119.9° | 120.2° |
| CAS | CAR | CAG | 119.0° | 120.1° |
| CAR | CAS | CAD | 119.5° | 119.9° |
| CAR | CAS | H5 | 120.3° | 120.1° |
| CAS | CAR | H6 | 120.5° | 119.9° |
| CAR | CAG | OAH | 115.4° | 119.9° |
| CAR | CAG | CAF | 121.3° | 120.2° |
| CAG | CAR | H6 | 120.5° | 120.0° |
| CAI | OAH | CAG | 128.0° | 118.0° |
| OAH | CAI | CAJ | 123.4° | 119.9° |
| OAH | CAG | CAF | 123.2° | 119.9° |
| CAM | CAL | CAK | 120.9° | 120.0° |
| CAM | CAL | H10 | 119.5° | 120.0° |
| CAI | CAJ | CAK | 118.1° | 120.2° |
| CAI | CAJ | H8 | 120.9° | 119.9° |
| CAS | CAD | CAB | 116.5° | 120.1° |
| CAS | CAD | CAE | 122.1° | 119.8° |
| CAD | CAS | H5 | 120.2° | 120.0° |
| CAG | CAF | CAE | 120.0° | 120.1° |
| CAG | CAF | H1 | 120.0° | 120.0° |
| CAL | CAK | CAJ | 120.8° | 120.2° |
| CAL | CAK | H9 | 119.6° | 119.9° |
| CAK | CAL | H10 | 119.6° | 120.0° |
| CAK | CAJ | H8 | 121.0° | 119.9° |
| CAJ | CAK | H9 | 119.6° | 119.9° |
| OAC | CAB | CAD | 118.3° | 120.0° |
| OAC | CAB | NAA | 124.2° | 120.0° |
| CAB | CAD | CAE | 121.4° | 120.1° |
| CAD | CAB | NAA | 117.4° | 120.0° |
| CAD | CAE | CAF | 118.0° | 119.9° |
| CAD | CAE | H2 | 121.0° | 120.1° |
| CAE | CAF | H1 | 120.0° | 119.9° |
| CAF | CAE | H2 | 121.0° | 120.0° |
| CAB | NAA | H3 | 120.0° | 120.0° |
| CAB | NAA | H4 | 120.0° | 120.1° |
| H3 | NAA | H4 | 120.0° | 120.0° |
| H11 | NAP | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAP | CAO | OAQ | CAM | 174.2° | 179.9° |
| NAP | CAO | CAM | CAN | 33.4° | 179.9° |
| NAP | CAO | CAM | CAL | 145.2° | 0.1° |
| CAO | NAP | H11 | H12 | 180.0° | 180.0° |
| OAQ | CAO | CAM | CAN | 152.0° | 0.0° |
| OAQ | CAO | CAM | CAL | 29.4° | 180.0° |
| OAQ | CAO | NAP | H11 | 0.0° | 0.1° |
| OAQ | CAO | NAP | H12 | 180.0° | 180.0° |
| CAO | CAM | CAN | CAL | 178.6° | 180.0° |
| CAO | CAM | CAN | CAI | 179.4° | 180.0° |
| CAO | CAM | CAL | CAK | 179.7° | 179.7° |
| CAO | CAM | CAN | H7 | 0.6° | 0.0° |
| CAO | CAM | CAL | H10 | 0.3° | 0.0° |
| CAM | CAO | NAP | H11 | 174.4° | 180.0° |
| CAM | CAO | NAP | H12 | 5.6° | 0.0° |
| CAM | CAN | CAI | H7 | 180.0° | 180.0° |
| CAM | CAN | CAI | OAH | 178.5° | 180.0° |
| CAM | CAN | CAI | CAJ | 0.7° | 0.3° |
| CAN | CAM | CAL | CAK | 1.7° | 0.2° |
| CAN | CAM | CAL | H10 | 178.3° | 180.0° |
| CAN | CAI | OAH | CAJ | 179.2° | 179.7° |
| CAN | CAI | OAH | CAG | 161.7° | 6.4° |
| CAI | CAN | CAM | CAL | 0.8° | 0.0° |
| CAN | CAI | CAJ | CAK | 1.2° | 0.3° |
| CAN | CAI | CAJ | H8 | 178.8° | 179.7° |
| CAS | CAR | CAG | H6 | 180.0° | 179.9° |
| CAS | CAR | CAG | OAH | 178.1° | 180.0° |
| CAR | CAS | CAD | H5 | 180.0° | 180.0° |
| CAS | CAR | CAG | CAF | 1.2° | 0.5° |
| CAR | CAS | CAD | CAB | 178.5° | 180.0° |
| CAR | CAS | CAD | CAE | 1.1° | 0.0° |
| CAR | CAG | OAH | CAI | 139.6° | 67.4° |
| CAR | CAG | OAH | CAF | 176.8° | 179.5° |
| CAG | CAR | CAS | CAD | 0.2° | 0.2° |
| CAR | CAG | CAF | CAE | 0.9° | 0.4° |
| CAR | CAG | CAF | H1 | 179.1° | 179.8° |
| CAG | CAR | CAS | H5 | 179.8° | 179.8° |
| CAI | OAH | CAG | CAF | 43.6° | 113.1° |
| OAH | CAI | CAJ | CAK | 177.9° | 180.0° |
| OAH | CAI | CAN | H7 | 1.5° | 0.0° |
| OAH | CAI | CAJ | H8 | 2.1° | 0.0° |
| CAG | OAH | CAI | CAJ | 19.1° | 173.9° |
| OAH | CAG | CAF | CAE | 177.6° | 180.0° |
| OAH | CAG | CAF | H1 | 2.4° | 0.2° |
| OAH | CAG | CAR | H6 | 1.8° | 0.2° |
| CAM | CAL | CAK | H10 | 180.0° | 179.8° |
| CAM | CAL | CAK | CAJ | 1.1° | 0.2° |
| CAL | CAM | CAN | H7 | 179.2° | 180.0° |
| CAM | CAL | CAK | H9 | 178.9° | 179.7° |
| CAI | CAJ | CAK | CAL | 0.3° | 0.1° |
| CAI | CAJ | CAK | H8 | 180.0° | 180.0° |
| CAJ | CAI | CAN | H7 | 179.3° | 179.7° |
| CAI | CAJ | CAK | H9 | 179.7° | 180.0° |
| CAS | CAD | CAB | OAC | 37.7° | 179.9° |
| CAS | CAD | CAB | CAE | 177.5° | 180.0° |
| CAS | CAD | CAE | CAF | 1.3° | 0.0° |
| CAS | CAD | CAB | NAA | 146.3° | 0.0° |
| CAS | CAD | CAE | H2 | 178.7° | 180.0° |
| CAD | CAS | CAR | H6 | 179.8° | 179.9° |
| CAG | CAF | CAE | CAD | 0.3° | 0.2° |
| CAG | CAF | CAE | H1 | 180.0° | 179.8° |
| CAG | CAF | CAE | H2 | 179.7° | 179.8° |
| CAF | CAG | CAR | H6 | 178.8° | 179.7° |
| CAL | CAK | CAJ | H9 | 180.0° | 179.9° |
| CAL | CAK | CAJ | H8 | 179.7° | 179.9° |
| CAJ | CAK | CAL | H10 | 178.9° | 180.0° |
| OAC | CAB | CAD | NAA | 175.9° | 179.9° |
| OAC | CAB | CAD | CAE | 139.7° | 0.0° |
| OAC | CAB | NAA | H3 | 0.0° | 180.0° |
| OAC | CAB | NAA | H4 | 180.0° | 0.1° |
| CAB | CAD | CAE | CAF | 178.7° | 180.0° |
| CAB | CAD | CAE | H2 | 1.3° | 0.0° |
| CAD | CAB | NAA | H3 | 175.7° | 0.0° |
| CAD | CAB | NAA | H4 | 4.3° | 180.0° |
| CAB | CAD | CAS | H5 | 1.5° | 0.1° |
| CAD | CAE | CAF | H2 | 180.0° | 180.0° |
| CAE | CAD | CAB | NAA | 36.2° | 180.0° |
| CAD | CAE | CAF | H1 | 179.7° | 180.0° |
| CAE | CAD | CAS | H5 | 178.9° | 180.0° |
| CAB | NAA | H3 | H4 | 180.0° | 180.0° |
| H1 | CAF | CAE | H2 | 0.3° | 0.0° |
| H5 | CAS | CAR | H6 | 0.2° | 0.1° |
| H8 | CAJ | CAK | H9 | 0.3° | 0.1° |
| H9 | CAK | CAL | H10 | 1.1° | 0.1° |
