40N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAR | doub | 1.40Å | 1.41Å | Aromatic |
| CAE | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAR | CAN | sing | 1.40Å | 1.40Å | Aromatic |
| CAR | CAO | sing | 1.48Å | 1.39Å | |
| CAN | FAB | sing | 1.35Å | 1.48Å | |
| CAG | CAO | doub | 1.37Å | 1.39Å | |
| CAG | CAS | sing | 1.41Å | 1.39Å | |
| CAO | NAK | sing | 1.36Å | 1.42Å | |
| OAA | CAS | doub | 1.22Å | 1.23Å | |
| CAS | CAU | sing | 1.47Å | 1.39Å | |
| NAK | CAT | sing | 1.38Å | 1.40Å | |
| CAU | CAT | sing | 1.41Å | 1.38Å | Aromatic |
| CAU | CAI | doub | 1.40Å | 1.40Å | Aromatic |
| CAT | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAQ | sing | 1.38Å | 1.34Å | Aromatic |
| CAH | CAP | sing | 1.38Å | 1.35Å | Aromatic |
| CAQ | CAP | doub | 1.40Å | 1.33Å | Aromatic |
| CAQ | OAM | sing | 1.37Å | 1.35Å | |
| CAP | OAL | sing | 1.36Å | 1.35Å | |
| OAM | CAJ | sing | 1.44Å | 1.42Å | |
| OAL | CAJ | sing | 1.44Å | 1.43Å | |
| CAE | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| NAK | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAD | CAF | 119.6° | 120.2° |
| CAD | CAC | CAE | 119.9° | 120.4° |
| CAD | CAC | H2 | 120.0° | 119.8° |
| CAC | CAD | H3 | 120.3° | 119.9° |
| CAD | CAF | CAR | 120.3° | 119.9° |
| CAF | CAD | H3 | 120.2° | 119.9° |
| CAD | CAF | H4 | 119.9° | 120.1° |
| CAC | CAE | CAN | 120.7° | 120.1° |
| CAC | CAE | H1 | 119.7° | 119.9° |
| CAE | CAC | H2 | 120.0° | 119.8° |
| CAF | CAR | CAN | 120.0° | 119.7° |
| CAF | CAR | CAO | 121.2° | 120.2° |
| CAR | CAF | H4 | 119.9° | 120.0° |
| CAE | CAN | CAR | 119.5° | 119.8° |
| CAE | CAN | FAB | 121.1° | 120.1° |
| CAN | CAE | H1 | 119.6° | 120.0° |
| CAN | CAR | CAO | 118.8° | 120.2° |
| CAR | CAN | FAB | 119.4° | 120.1° |
| CAR | CAO | CAG | 119.1° | 119.0° |
| CAR | CAO | NAK | 122.3° | 119.0° |
| CAO | CAG | CAS | 120.4° | 119.9° |
| CAG | CAO | NAK | 118.6° | 122.0° |
| CAO | CAG | H5 | 119.8° | 120.1° |
| CAG | CAS | OAA | 118.6° | 120.9° |
| CAG | CAS | CAU | 120.5° | 118.1° |
| CAS | CAG | H5 | 119.8° | 120.0° |
| CAO | NAK | CAT | 120.6° | 121.5° |
| CAO | NAK | H10 | 119.7° | 119.2° |
| OAA | CAS | CAU | 120.9° | 121.0° |
| CAS | CAU | CAT | 120.4° | 118.8° |
| CAS | CAU | CAI | 121.0° | 121.1° |
| NAK | CAT | CAU | 119.5° | 119.7° |
| NAK | CAT | CAH | 122.3° | 120.7° |
| CAT | NAK | H10 | 119.7° | 119.3° |
| CAT | CAU | CAI | 118.6° | 120.1° |
| CAU | CAT | CAH | 118.2° | 119.6° |
| CAU | CAI | CAQ | 120.9° | 119.8° |
| CAU | CAI | H6 | 119.5° | 120.1° |
| CAT | CAH | CAP | 120.6° | 120.0° |
| CAT | CAH | H9 | 119.7° | 120.0° |
| CAI | CAQ | CAP | 120.4° | 120.2° |
| CAI | CAQ | OAM | 128.3° | 131.3° |
| CAQ | CAI | H6 | 119.6° | 120.1° |
| CAH | CAP | CAQ | 121.3° | 120.4° |
| CAH | CAP | OAL | 128.9° | 131.1° |
| CAP | CAH | H9 | 119.7° | 120.0° |
| CAP | CAQ | OAM | 111.3° | 108.5° |
| CAQ | CAP | OAL | 109.8° | 108.5° |
| CAQ | OAM | CAJ | 105.9° | 105.5° |
| CAP | OAL | CAJ | 106.4° | 105.5° |
| OAM | CAJ | OAL | 106.2° | 103.9° |
| OAM | CAJ | H7 | 110.3° | 110.5° |
| OAM | CAJ | H8 | 110.3° | 110.5° |
| OAL | CAJ | H7 | 110.3° | 110.6° |
| OAL | CAJ | H8 | 110.3° | 110.7° |
| H7 | CAJ | H8 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAD | CAF | H3 | 180.0° | 180.0° |
| CAD | CAC | CAE | H2 | 180.0° | 180.0° |
| CAC | CAD | CAF | CAR | 0.3° | 0.2° |
| CAD | CAC | CAE | CAN | 0.4° | 0.0° |
| CAD | CAC | CAE | H1 | 179.6° | 180.0° |
| CAC | CAD | CAF | H4 | 179.7° | 180.0° |
| CAF | CAD | CAC | CAE | 0.4° | 0.0° |
| CAD | CAF | CAR | H4 | 180.0° | 179.8° |
| CAD | CAF | CAR | CAN | 0.7° | 0.5° |
| CAD | CAF | CAR | CAO | 178.5° | 180.0° |
| CAF | CAD | CAC | H2 | 179.6° | 180.0° |
| CAC | CAE | CAN | H1 | 180.0° | 180.0° |
| CAC | CAE | CAN | CAR | 1.4° | 0.3° |
| CAC | CAE | CAN | FAB | 179.5° | 180.0° |
| CAE | CAC | CAD | H3 | 179.6° | 180.0° |
| CAF | CAR | CAN | CAE | 1.5° | 0.5° |
| CAF | CAR | CAN | CAO | 177.9° | 179.6° |
| CAF | CAR | CAN | FAB | 179.3° | 179.8° |
| CAF | CAR | CAO | CAG | 43.5° | 56.2° |
| CAF | CAR | CAO | NAK | 138.2° | 124.1° |
| CAR | CAF | CAD | H3 | 179.8° | 179.8° |
| CAE | CAN | CAR | FAB | 179.2° | 179.7° |
| CAE | CAN | CAR | CAO | 179.4° | 180.0° |
| CAN | CAE | CAC | H2 | 179.6° | 180.0° |
| CAN | CAR | CAO | CAG | 134.3° | 124.2° |
| CAN | CAR | CAO | NAK | 44.0° | 55.5° |
| CAR | CAN | CAE | H1 | 178.7° | 179.8° |
| CAN | CAR | CAF | H4 | 179.3° | 179.7° |
| CAO | CAR | CAN | FAB | 1.4° | 0.2° |
| CAR | CAO | CAG | NAK | 178.4° | 179.7° |
| CAR | CAO | CAG | CAS | 179.6° | 180.0° |
| CAR | CAO | NAK | CAT | 179.7° | 179.7° |
| CAO | CAR | CAF | H4 | 1.5° | 0.2° |
| CAR | CAO | CAG | H5 | 0.4° | 0.1° |
| CAR | CAO | NAK | H10 | 0.3° | 0.0° |
| FAB | CAN | CAE | H1 | 0.5° | 0.1° |
| CAO | CAG | CAS | H5 | 180.0° | 180.0° |
| CAO | CAG | CAS | OAA | 179.4° | 180.0° |
| CAO | CAG | CAS | CAU | 0.5° | 0.0° |
| CAG | CAO | NAK | CAT | 1.3° | 0.5° |
| CAG | CAO | NAK | H10 | 178.7° | 179.7° |
| CAS | CAG | CAO | NAK | 1.3° | 0.3° |
| CAG | CAS | OAA | CAU | 179.9° | 180.0° |
| CAG | CAS | CAU | CAT | 0.3° | 0.0° |
| CAG | CAS | CAU | CAI | 179.4° | 180.0° |
| CAO | NAK | CAT | H10 | 180.0° | 179.7° |
| CAO | NAK | CAT | CAU | 0.6° | 0.6° |
| CAO | NAK | CAT | CAH | 179.3° | 179.7° |
| NAK | CAO | CAG | H5 | 178.8° | 179.8° |
| OAA | CAS | CAU | CAT | 179.9° | 180.0° |
| OAA | CAS | CAU | CAI | 0.7° | 0.0° |
| OAA | CAS | CAG | H5 | 0.6° | 0.1° |
| CAS | CAU | CAT | NAK | 0.2° | 0.3° |
| CAS | CAU | CAT | CAI | 179.1° | 180.0° |
| CAS | CAU | CAT | CAH | 179.9° | 180.0° |
| CAS | CAU | CAI | CAQ | 179.9° | 180.0° |
| CAU | CAS | CAG | H5 | 179.6° | 180.0° |
| CAS | CAU | CAI | H6 | 0.1° | 0.0° |
| NAK | CAT | CAU | CAH | 179.9° | 179.8° |
| NAK | CAT | CAU | CAI | 179.3° | 179.7° |
| NAK | CAT | CAH | CAP | 179.2° | 179.7° |
| NAK | CAT | CAH | H9 | 0.8° | 0.2° |
| CAT | CAU | CAI | CAQ | 0.8° | 0.0° |
| CAU | CAT | CAH | CAP | 0.9° | 0.0° |
| CAT | CAU | CAI | H6 | 179.2° | 180.0° |
| CAU | CAT | CAH | H9 | 179.1° | 180.0° |
| CAU | CAT | NAK | H10 | 179.4° | 179.7° |
| CAI | CAU | CAT | CAH | 0.8° | 0.0° |
| CAU | CAI | CAQ | H6 | 180.0° | 180.0° |
| CAU | CAI | CAQ | CAP | 1.0° | 0.0° |
| CAU | CAI | CAQ | OAM | 179.5° | 180.0° |
| CAT | CAH | CAP | H9 | 180.0° | 180.0° |
| CAT | CAH | CAP | CAQ | 1.1° | 0.0° |
| CAT | CAH | CAP | OAL | 179.4° | 180.0° |
| CAH | CAT | NAK | H10 | 0.7° | 0.0° |
| CAI | CAQ | CAP | CAH | 1.1° | 0.0° |
| CAI | CAQ | CAP | OAM | 179.7° | 180.0° |
| CAI | CAQ | CAP | OAL | 179.3° | 180.0° |
| CAI | CAQ | OAM | CAJ | 175.6° | 162.7° |
| CAH | CAP | CAQ | OAL | 179.7° | 180.0° |
| CAH | CAP | CAQ | OAM | 179.3° | 180.0° |
| CAH | CAP | OAL | CAJ | 177.0° | 162.6° |
| CAP | CAQ | OAM | CAJ | 4.0° | 17.3° |
| CAQ | CAP | OAL | CAJ | 3.4° | 17.4° |
| CAP | CAQ | CAI | H6 | 179.0° | 180.0° |
| CAQ | CAP | CAH | H9 | 178.9° | 180.0° |
| OAM | CAQ | CAP | OAL | 0.4° | 0.0° |
| CAQ | OAM | CAJ | OAL | 5.9° | 27.3° |
| OAM | CAQ | CAI | H6 | 0.5° | 0.0° |
| CAQ | OAM | CAJ | H7 | 125.3° | 145.9° |
| CAQ | OAM | CAJ | H8 | 113.6° | 91.5° |
| CAP | OAL | CAJ | OAM | 5.7° | 27.3° |
| CAP | OAL | CAJ | H7 | 125.2° | 145.9° |
| CAP | OAL | CAJ | H8 | 113.8° | 91.4° |
| OAL | CAP | CAH | H9 | 0.6° | 0.0° |
| OAM | CAJ | OAL | H7 | 119.5° | 118.6° |
| OAM | CAJ | OAL | H8 | 119.5° | 118.7° |
| OAM | CAJ | H7 | H8 | 121.5° | 122.7° |
| OAL | CAJ | H7 | H8 | 121.5° | 122.8° |
| H1 | CAE | CAC | H2 | 0.4° | 0.0° |
| H2 | CAC | CAD | H3 | 0.4° | 0.0° |
| H3 | CAD | CAF | H4 | 0.3° | 0.1° |
