7NP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | OAK | sing | 1.43Å | 1.38Å | |
| OAK | CAF | sing | 1.36Å | 1.34Å | |
| CAF | CAA | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.40Å | 1.38Å | Aromatic |
| CAE | CAD | doub | 1.38Å | 1.36Å | Aromatic |
| CAB | CAJ | sing | 1.48Å | 1.48Å | |
| CAB | CAC | doub | 1.40Å | 1.37Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.38Å | Aromatic |
| OAM | CAJ | doub | 1.21Å | 1.15Å | |
| CAJ | CAI | sing | 1.51Å | 1.49Å | |
| CAC | CAG | sing | 1.51Å | 1.48Å | |
| CAN | CAI | sing | 1.53Å | 1.52Å | |
| CAI | CAH | sing | 1.53Å | 1.50Å | |
| CAH | CAG | sing | 1.53Å | 1.51Å | |
| CAI | H1 | sing | 1.09Å | 1.10Å | |
| CAN | H2 | sing | 1.09Å | 1.10Å | |
| CAN | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| CAD | H9 | sing | 1.08Å | 1.08Å | |
| CAE | H10 | sing | 1.08Å | 1.08Å | |
| CAA | H11 | sing | 1.08Å | 1.08Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | OAK | CAF | 120.2° | 117.0° |
| OAK | CAL | H12 | 109.5° | 109.5° |
| OAK | CAL | H13 | 109.5° | 109.5° |
| OAK | CAL | H14 | 109.4° | 109.5° |
| OAK | CAF | CAA | 123.1° | 120.1° |
| OAK | CAF | CAE | 115.3° | 120.1° |
| CAA | CAF | CAE | 121.7° | 119.9° |
| CAF | CAA | CAB | 118.8° | 119.7° |
| CAF | CAA | H11 | 120.6° | 120.1° |
| CAF | CAE | CAD | 119.2° | 120.4° |
| CAF | CAE | H10 | 120.4° | 119.8° |
| CAA | CAB | CAJ | 122.7° | 119.7° |
| CAA | CAB | CAC | 118.5° | 120.2° |
| CAB | CAA | H11 | 120.6° | 120.1° |
| CAE | CAD | CAC | 118.8° | 120.4° |
| CAE | CAD | H9 | 120.6° | 119.8° |
| CAD | CAE | H10 | 120.4° | 119.8° |
| CAJ | CAB | CAC | 118.7° | 120.1° |
| CAB | CAJ | OAM | 120.5° | 121.2° |
| CAB | CAJ | CAI | 123.0° | 117.6° |
| CAB | CAC | CAD | 123.0° | 119.4° |
| CAB | CAC | CAG | 118.7° | 121.5° |
| CAD | CAC | CAG | 118.2° | 119.1° |
| CAC | CAD | H9 | 120.6° | 119.8° |
| OAM | CAJ | CAI | 116.4° | 121.2° |
| CAJ | CAI | CAN | 108.3° | 109.9° |
| CAJ | CAI | CAH | 108.1° | 107.4° |
| CAJ | CAI | H1 | 108.4° | 109.9° |
| CAC | CAG | CAH | 110.5° | 111.3° |
| CAC | CAG | H7 | 109.2° | 108.9° |
| CAC | CAG | H8 | 109.2° | 109.2° |
| CAN | CAI | CAH | 115.6° | 109.9° |
| CAN | CAI | H1 | 108.0° | 109.9° |
| CAI | CAN | H2 | 109.5° | 109.4° |
| CAI | CAN | H3 | 109.5° | 109.4° |
| CAI | CAN | H4 | 109.5° | 109.5° |
| CAI | CAH | CAG | 110.9° | 109.4° |
| CAH | CAI | H1 | 108.2° | 109.9° |
| CAI | CAH | H5 | 109.1° | 109.5° |
| CAI | CAH | H6 | 109.1° | 109.5° |
| CAG | CAH | H5 | 109.1° | 109.5° |
| CAG | CAH | H6 | 109.1° | 109.5° |
| CAH | CAG | H7 | 109.2° | 109.1° |
| CAH | CAG | H8 | 109.2° | 109.1° |
| H2 | CAN | H3 | 109.5° | 109.4° |
| H2 | CAN | H4 | 109.4° | 109.5° |
| H3 | CAN | H4 | 109.4° | 109.5° |
| H5 | CAH | H6 | 109.4° | 109.5° |
| H7 | CAG | H8 | 109.4° | 109.1° |
| H12 | CAL | H13 | 109.5° | 109.4° |
| H12 | CAL | H14 | 109.4° | 109.5° |
| H13 | CAL | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | OAK | CAF | CAA | 2.5° | 180.0° |
| CAL | OAK | CAF | CAE | 175.7° | 0.1° |
| OAK | CAL | H12 | H13 | 120.0° | 120.0° |
| OAK | CAL | H12 | H14 | 120.0° | 120.0° |
| OAK | CAL | H13 | H14 | 120.0° | 120.1° |
| OAK | CAF | CAA | CAE | 178.1° | 179.9° |
| OAK | CAF | CAA | CAB | 178.9° | 180.0° |
| OAK | CAF | CAE | CAD | 179.8° | 179.9° |
| OAK | CAF | CAE | H10 | 0.2° | 0.0° |
| OAK | CAF | CAA | H11 | 1.1° | 0.0° |
| CAF | OAK | CAL | H12 | 180.0° | 60.1° |
| CAF | OAK | CAL | H13 | 60.0° | 180.0° |
| CAF | OAK | CAL | H14 | 60.0° | 59.9° |
| CAF | CAA | CAB | H11 | 180.0° | 180.0° |
| CAA | CAF | CAE | CAD | 1.6° | 0.2° |
| CAF | CAA | CAB | CAJ | 178.8° | 179.9° |
| CAF | CAA | CAB | CAC | 2.1° | 0.1° |
| CAA | CAF | CAE | H10 | 178.4° | 179.9° |
| CAE | CAF | CAA | CAB | 3.0° | 0.1° |
| CAF | CAE | CAD | H10 | 180.0° | 179.9° |
| CAF | CAE | CAD | CAC | 0.8° | 0.1° |
| CAF | CAE | CAD | H9 | 179.2° | 179.9° |
| CAE | CAF | CAA | H11 | 177.0° | 179.9° |
| CAA | CAB | CAJ | CAC | 176.7° | 180.0° |
| CAA | CAB | CAC | CAD | 0.2° | 0.2° |
| CAA | CAB | CAJ | OAM | 7.8° | 11.3° |
| CAA | CAB | CAJ | CAI | 172.4° | 168.4° |
| CAA | CAB | CAC | CAG | 176.6° | 179.6° |
| CAE | CAD | CAC | CAB | 1.7° | 0.1° |
| CAE | CAD | CAC | H9 | 180.0° | 179.9° |
| CAE | CAD | CAC | CAG | 178.0° | 179.7° |
| CAJ | CAB | CAC | CAD | 176.6° | 179.8° |
| CAB | CAJ | OAM | CAI | 179.8° | 179.7° |
| CAJ | CAB | CAC | CAG | 0.3° | 0.4° |
| CAB | CAJ | CAI | CAN | 141.3° | 162.3° |
| CAB | CAJ | CAI | CAH | 15.4° | 42.8° |
| CAB | CAJ | CAI | H1 | 101.7° | 76.7° |
| CAJ | CAB | CAA | H11 | 1.2° | 0.1° |
| CAB | CAC | CAD | CAG | 176.4° | 179.8° |
| CAC | CAB | CAJ | OAM | 168.9° | 168.7° |
| CAC | CAB | CAJ | CAI | 10.9° | 11.6° |
| CAB | CAC | CAG | CAH | 36.3° | 22.3° |
| CAB | CAC | CAG | H7 | 156.5° | 98.1° |
| CAB | CAC | CAG | H8 | 83.9° | 142.9° |
| CAB | CAC | CAD | H9 | 178.3° | 179.9° |
| CAC | CAB | CAA | H11 | 177.9° | 179.9° |
| CAD | CAC | CAG | CAH | 147.2° | 157.9° |
| CAD | CAC | CAG | H7 | 27.0° | 81.8° |
| CAD | CAC | CAG | H8 | 92.7° | 37.3° |
| CAC | CAD | CAE | H10 | 179.2° | 180.0° |
| OAM | CAJ | CAI | CAN | 38.9° | 18.0° |
| OAM | CAJ | CAI | CAH | 164.8° | 137.5° |
| OAM | CAJ | CAI | H1 | 78.1° | 103.0° |
| CAJ | CAI | CAN | CAH | 121.4° | 118.0° |
| CAJ | CAI | CAN | H1 | 117.2° | 121.0° |
| CAJ | CAI | CAH | H1 | 117.2° | 119.5° |
| CAJ | CAI | CAH | CAG | 51.1° | 64.1° |
| CAJ | CAI | CAN | H2 | 180.0° | 60.1° |
| CAJ | CAI | CAN | H3 | 60.0° | 180.0° |
| CAJ | CAI | CAN | H4 | 60.0° | 60.0° |
| CAJ | CAI | CAH | H5 | 171.3° | 176.0° |
| CAJ | CAI | CAH | H6 | 69.2° | 55.9° |
| CAC | CAG | CAH | CAI | 63.6° | 54.4° |
| CAC | CAG | CAH | H7 | 120.2° | 120.2° |
| CAC | CAG | CAH | H8 | 120.2° | 120.6° |
| CAC | CAG | CAH | H5 | 176.1° | 174.4° |
| CAC | CAG | CAH | H6 | 56.6° | 65.6° |
| CAC | CAG | H7 | H8 | 119.5° | 119.1° |
| CAG | CAC | CAD | H9 | 2.0° | 0.3° |
| CAN | CAI | CAH | H1 | 121.3° | 121.1° |
| CAN | CAI | CAH | CAG | 172.6° | 176.5° |
| CAI | CAN | H2 | H3 | 120.0° | 119.9° |
| CAI | CAN | H2 | H4 | 120.0° | 120.1° |
| CAI | CAN | H3 | H4 | 120.0° | 120.1° |
| CAN | CAI | CAH | H5 | 67.2° | 56.5° |
| CAN | CAI | CAH | H6 | 52.4° | 63.6° |
| CAI | CAH | CAG | H5 | 120.2° | 120.0° |
| CAI | CAH | CAG | H6 | 120.2° | 120.0° |
| CAH | CAI | CAN | H2 | 58.6° | 57.9° |
| CAH | CAI | CAN | H3 | 178.6° | 62.0° |
| CAH | CAI | CAN | H4 | 61.4° | 177.9° |
| CAI | CAH | H5 | H6 | 119.4° | 120.1° |
| CAI | CAH | CAG | H7 | 176.2° | 65.9° |
| CAI | CAH | CAG | H8 | 56.5° | 175.0° |
| CAG | CAH | CAI | H1 | 66.1° | 55.4° |
| CAG | CAH | H5 | H6 | 119.3° | 120.0° |
| CAH | CAG | H7 | H8 | 119.5° | 119.2° |
| H1 | CAI | CAN | H2 | 62.8° | 178.9° |
| H1 | CAI | CAN | H3 | 57.2° | 59.0° |
| H1 | CAI | CAN | H4 | 177.2° | 61.0° |
| H1 | CAI | CAH | H5 | 54.1° | 64.6° |
| H1 | CAI | CAH | H6 | 173.6° | 175.4° |
| H2 | CAN | H3 | H4 | 120.0° | 120.0° |
| H5 | CAH | CAG | H7 | 56.0° | 54.1° |
| H5 | CAH | CAG | H8 | 63.7° | 65.1° |
| H6 | CAH | CAG | H7 | 63.6° | 174.2° |
| H6 | CAH | CAG | H8 | 176.8° | 55.0° |
| H9 | CAD | CAE | H10 | 0.8° | 0.1° |
| H12 | CAL | H13 | H14 | 120.0° | 120.0° |
