28C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | NAK | doub | 1.31Å | 1.35Å | Aromatic |
| CAG | NAT | sing | 1.35Å | 1.34Å | Aromatic |
| NAK | NAL | sing | 1.29Å | 1.27Å | Aromatic |
| NAT | NAM | sing | 1.40Å | 1.27Å | Aromatic |
| NAT | CAS | sing | 1.37Å | 1.35Å | Aromatic |
| NAL | CAS | doub | 1.32Å | 1.33Å | Aromatic |
| NAM | CAP | doub | 1.31Å | 1.34Å | Aromatic |
| CAS | CAR | sing | 1.41Å | 1.35Å | Aromatic |
| CAP | CAA | sing | 1.51Å | 1.46Å | |
| CAP | CAH | sing | 1.40Å | 1.41Å | Aromatic |
| CAR | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAR | NAN | sing | 1.39Å | 1.34Å | |
| NAN | CAI | sing | 1.47Å | 1.49Å | |
| CAI | CAJ | sing | 1.53Å | 1.57Å | |
| CAJ | CAQ | sing | 1.51Å | 1.43Å | |
| CAQ | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAQ | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAD | sing | 1.38Å | 1.42Å | Aromatic |
| CAE | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAC | CAO | sing | 1.39Å | 1.37Å | Aromatic |
| CAO | OAB | sing | 1.36Å | 1.35Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| NAN | H6 | sing | 0.97Å | 1.00Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAE | H11 | sing | 1.08Å | 1.08Å | |
| CAC | H12 | sing | 1.08Å | 1.08Å | |
| OAB | H13 | sing | 0.97Å | 0.95Å | |
| CAD | H14 | sing | 1.08Å | 1.08Å | |
| CAF | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAK | CAG | NAT | 106.2° | 107.6° |
| CAG | NAK | NAL | 108.9° | 110.2° |
| NAK | CAG | H5 | 126.9° | 126.2° |
| CAG | NAT | NAM | 127.8° | 133.9° |
| CAG | NAT | CAS | 108.6° | 106.0° |
| NAT | CAG | H5 | 126.9° | 126.1° |
| NAK | NAL | CAS | 111.0° | 109.2° |
| NAM | NAT | CAS | 123.7° | 120.1° |
| NAT | NAM | CAP | 121.3° | 120.9° |
| NAT | CAS | NAL | 105.4° | 106.9° |
| NAT | CAS | CAR | 118.8° | 119.2° |
| NAL | CAS | CAR | 135.7° | 133.9° |
| NAM | CAP | CAA | 120.8° | 119.4° |
| NAM | CAP | CAH | 118.8° | 121.2° |
| CAS | CAR | CAH | 119.1° | 118.7° |
| CAS | CAR | NAN | 121.2° | 120.6° |
| CAA | CAP | CAH | 120.3° | 119.4° |
| CAP | CAA | H1 | 109.5° | 109.4° |
| CAP | CAA | H2 | 109.5° | 109.5° |
| CAP | CAA | H3 | 109.5° | 109.5° |
| CAP | CAH | CAR | 118.1° | 119.9° |
| CAP | CAH | H4 | 121.0° | 120.0° |
| CAH | CAR | NAN | 119.6° | 120.7° |
| CAR | CAH | H4 | 120.9° | 120.0° |
| CAR | NAN | CAI | 124.9° | 120.0° |
| CAR | NAN | H6 | 105.5° | 120.0° |
| NAN | CAI | CAJ | 114.3° | 109.5° |
| CAI | NAN | H6 | 105.5° | 120.0° |
| NAN | CAI | H7 | 108.2° | 109.5° |
| NAN | CAI | H8 | 108.2° | 109.5° |
| CAI | CAJ | CAQ | 110.5° | 109.5° |
| CAJ | CAI | H7 | 108.2° | 109.5° |
| CAJ | CAI | H8 | 108.3° | 109.5° |
| CAI | CAJ | H9 | 109.2° | 109.5° |
| CAI | CAJ | H10 | 109.2° | 109.5° |
| CAJ | CAQ | CAF | 122.7° | 119.9° |
| CAJ | CAQ | CAE | 119.4° | 119.9° |
| CAQ | CAJ | H9 | 109.2° | 109.5° |
| CAQ | CAJ | H10 | 109.2° | 109.5° |
| CAF | CAQ | CAE | 117.8° | 120.1° |
| CAQ | CAF | CAD | 119.5° | 120.0° |
| CAQ | CAF | H15 | 120.2° | 120.0° |
| CAQ | CAE | CAC | 122.6° | 120.0° |
| CAQ | CAE | H11 | 118.7° | 119.9° |
| CAF | CAD | CAO | 120.3° | 120.0° |
| CAF | CAD | H14 | 119.8° | 120.0° |
| CAD | CAF | H15 | 120.2° | 120.0° |
| CAE | CAC | CAO | 119.2° | 120.0° |
| CAC | CAE | H11 | 118.7° | 120.0° |
| CAE | CAC | H12 | 120.4° | 120.0° |
| CAD | CAO | CAC | 120.4° | 119.9° |
| CAD | CAO | OAB | 122.9° | 120.1° |
| CAO | CAD | H14 | 119.8° | 120.0° |
| CAC | CAO | OAB | 116.6° | 120.0° |
| CAO | CAC | H12 | 120.4° | 120.0° |
| CAO | OAB | H13 | 109.5° | 114.0° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H7 | CAI | H8 | 109.5° | 109.5° |
| H9 | CAJ | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAK | CAG | NAT | H5 | 180.0° | 180.0° |
| NAK | CAG | NAT | NAM | 179.5° | 180.0° |
| NAK | CAG | NAT | CAS | 0.4° | 0.0° |
| CAG | NAK | NAL | CAS | 0.0° | 0.0° |
| NAT | CAG | NAK | NAL | 0.3° | 0.0° |
| CAG | NAT | NAM | CAS | 178.9° | 180.0° |
| CAG | NAT | CAS | NAL | 0.4° | 0.0° |
| CAG | NAT | NAM | CAP | 176.4° | 180.0° |
| CAG | NAT | CAS | CAR | 176.1° | 179.8° |
| NAK | NAL | CAS | NAT | 0.3° | 0.0° |
| NAK | NAL | CAS | CAR | 175.5° | 179.7° |
| NAL | NAK | CAG | H5 | 179.7° | 180.0° |
| NAM | NAT | CAS | NAL | 179.5° | 180.0° |
| NAM | NAT | CAS | CAR | 3.0° | 0.2° |
| NAT | NAM | CAP | CAA | 179.1° | 180.0° |
| NAT | NAM | CAP | CAH | 2.2° | 0.3° |
| NAM | NAT | CAG | H5 | 0.5° | 0.0° |
| NAT | CAS | NAL | CAR | 175.7° | 179.8° |
| CAS | NAT | NAM | CAP | 2.6° | 0.0° |
| NAT | CAS | CAR | CAH | 3.0° | 0.2° |
| NAT | CAS | CAR | NAN | 179.2° | 180.0° |
| CAS | NAT | CAG | H5 | 179.6° | 180.0° |
| NAL | CAS | CAR | CAH | 178.3° | 179.9° |
| NAL | CAS | CAR | NAN | 5.5° | 0.3° |
| NAM | CAP | CAA | CAH | 176.8° | 179.7° |
| NAM | CAP | CAH | CAR | 2.3° | 0.3° |
| NAM | CAP | CAA | H1 | 0.0° | 90.3° |
| NAM | CAP | CAA | H2 | 120.0° | 29.7° |
| NAM | CAP | CAA | H3 | 120.0° | 149.7° |
| NAM | CAP | CAH | H4 | 177.7° | 179.8° |
| CAS | CAR | CAH | CAP | 2.7° | 0.1° |
| CAS | CAR | CAH | NAN | 176.3° | 179.8° |
| CAS | CAR | NAN | CAI | 176.6° | 180.0° |
| CAS | CAR | CAH | H4 | 177.3° | 180.0° |
| CAS | CAR | NAN | H6 | 54.5° | 0.0° |
| CAA | CAP | CAH | CAR | 179.2° | 180.0° |
| CAP | CAA | H1 | H2 | 120.0° | 120.0° |
| CAP | CAA | H1 | H3 | 120.0° | 120.0° |
| CAP | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAP | CAH | H4 | 0.8° | 0.1° |
| CAP | CAH | CAR | H4 | 180.0° | 179.9° |
| CAP | CAH | CAR | NAN | 179.0° | 179.7° |
| CAH | CAP | CAA | H1 | 176.8° | 90.0° |
| CAH | CAP | CAA | H2 | 56.8° | 150.0° |
| CAH | CAP | CAA | H3 | 63.2° | 30.0° |
| CAH | CAR | NAN | CAI | 0.4° | 0.2° |
| CAH | CAR | NAN | H6 | 121.7° | 179.8° |
| CAR | NAN | CAI | H6 | 122.1° | 179.9° |
| CAR | NAN | CAI | CAJ | 174.4° | 180.0° |
| NAN | CAR | CAH | H4 | 1.0° | 0.2° |
| CAR | NAN | CAI | H7 | 53.7° | 60.0° |
| CAR | NAN | CAI | H8 | 64.9° | 60.0° |
| NAN | CAI | CAJ | H7 | 120.7° | 120.0° |
| NAN | CAI | CAJ | H8 | 120.7° | 120.0° |
| NAN | CAI | CAJ | CAQ | 176.4° | 180.0° |
| NAN | CAI | H7 | H8 | 117.8° | 120.0° |
| NAN | CAI | CAJ | H9 | 63.4° | 60.0° |
| NAN | CAI | CAJ | H10 | 56.3° | 60.0° |
| CAI | CAJ | CAQ | H9 | 120.1° | 120.0° |
| CAI | CAJ | CAQ | H10 | 120.2° | 120.0° |
| CAI | CAJ | CAQ | CAF | 76.0° | 90.0° |
| CAI | CAJ | CAQ | CAE | 100.1° | 89.7° |
| CAJ | CAI | NAN | H6 | 63.5° | 0.0° |
| CAJ | CAI | H7 | H8 | 117.8° | 120.0° |
| CAI | CAJ | H9 | H10 | 119.5° | 120.0° |
| CAJ | CAQ | CAF | CAE | 176.1° | 179.8° |
| CAJ | CAQ | CAF | CAD | 177.4° | 179.7° |
| CAJ | CAQ | CAE | CAC | 178.8° | 180.0° |
| CAQ | CAJ | CAI | H7 | 55.8° | 60.0° |
| CAQ | CAJ | CAI | H8 | 62.9° | 60.0° |
| CAQ | CAJ | H9 | H10 | 119.5° | 120.0° |
| CAJ | CAQ | CAE | H11 | 1.1° | 0.0° |
| CAJ | CAQ | CAF | H15 | 2.5° | 0.0° |
| CAQ | CAF | CAD | H15 | 180.0° | 179.7° |
| CAF | CAQ | CAE | CAC | 2.6° | 0.2° |
| CAQ | CAF | CAD | CAO | 0.7° | 0.5° |
| CAF | CAQ | CAJ | H9 | 44.2° | 30.0° |
| CAF | CAQ | CAJ | H10 | 163.9° | 150.0° |
| CAF | CAQ | CAE | H11 | 177.4° | 179.7° |
| CAQ | CAF | CAD | H14 | 179.3° | 179.7° |
| CAE | CAQ | CAF | CAD | 1.3° | 0.5° |
| CAQ | CAE | CAC | H11 | 180.0° | 180.0° |
| CAQ | CAE | CAC | CAO | 3.1° | 0.0° |
| CAE | CAQ | CAJ | H9 | 139.8° | 150.3° |
| CAE | CAQ | CAJ | H10 | 20.1° | 30.2° |
| CAQ | CAE | CAC | H12 | 176.9° | 180.0° |
| CAE | CAQ | CAF | H15 | 178.6° | 179.8° |
| CAF | CAD | CAO | H14 | 180.0° | 179.8° |
| CAF | CAD | CAO | CAC | 1.2° | 0.2° |
| CAF | CAD | CAO | OAB | 178.5° | 179.7° |
| CAE | CAC | CAO | CAD | 2.3° | 0.0° |
| CAE | CAC | CAO | H12 | 180.0° | 180.0° |
| CAE | CAC | CAO | OAB | 179.9° | 180.0° |
| CAD | CAO | CAC | OAB | 177.5° | 180.0° |
| CAD | CAO | CAC | H12 | 177.7° | 180.0° |
| CAD | CAO | OAB | H13 | 180.0° | 89.9° |
| CAO | CAD | CAF | H15 | 179.3° | 179.8° |
| CAO | CAC | CAE | H11 | 176.9° | 180.0° |
| CAC | CAO | OAB | H13 | 2.5° | 90.0° |
| CAC | CAO | CAD | H14 | 178.8° | 180.0° |
| OAB | CAO | CAC | H12 | 0.2° | 0.1° |
| OAB | CAO | CAD | H14 | 1.5° | 0.1° |
| H1 | CAA | H2 | H3 | 119.9° | 120.1° |
| H6 | NAN | CAI | H7 | 175.8° | 120.0° |
| H6 | NAN | CAI | H8 | 57.2° | 120.0° |
| H7 | CAI | CAJ | H9 | 175.9° | 180.0° |
| H7 | CAI | CAJ | H10 | 64.4° | 60.0° |
| H8 | CAI | CAJ | H9 | 57.3° | 60.0° |
| H8 | CAI | CAJ | H10 | 177.0° | 180.0° |
| H11 | CAE | CAC | H12 | 3.1° | 0.0° |
| H14 | CAD | CAF | H15 | 0.7° | 0.0° |
