3VI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | NAN | sing | 1.42Å | 1.46Å | |
| NAN | CAC | doub | 1.29Å | 1.34Å | |
| CAC | CAP | sing | 1.48Å | 1.39Å | |
| CAP | CAE | doub | 1.40Å | 1.39Å | Aromatic |
| CAP | CAF | sing | 1.40Å | 1.39Å | Aromatic |
| CAE | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | NAR | doub | 1.32Å | 1.40Å | Aromatic |
| CAJ | NAR | sing | 1.32Å | 1.40Å | Aromatic |
| NAR | CAM | sing | 1.46Å | 1.48Å | |
| CAM | NAS | sing | 1.47Å | 1.48Å | |
| NAS | CAK | doub | 1.32Å | 1.40Å | Aromatic |
| NAS | CAL | sing | 1.32Å | 1.40Å | Aromatic |
| CAK | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAQ | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | CAQ | sing | 1.40Å | 1.39Å | Aromatic |
| CAQ | CAD | sing | 1.48Å | 1.39Å | |
| CAD | NAO | doub | 1.29Å | 1.34Å | |
| NAO | OAB | sing | 1.42Å | 1.46Å | |
| CAC | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAI | 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 | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| OAA | H13 | sing | 0.97Å | 0.95Å | |
| OAB | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | NAN | CAC | 117.0° | 120.0° |
| NAN | OAA | H13 | 109.5° | 114.0° |
| NAN | CAC | CAP | 115.0° | 120.0° |
| NAN | CAC | H1 | 122.5° | 120.0° |
| CAC | CAP | CAE | 119.9° | 120.9° |
| CAC | CAP | CAF | 120.0° | 121.0° |
| CAP | CAC | H1 | 122.5° | 120.0° |
| CAE | CAP | CAF | 120.1° | 118.1° |
| CAP | CAE | CAI | 120.2° | 119.0° |
| CAP | CAE | H3 | 119.9° | 120.5° |
| CAP | CAF | CAJ | 120.2° | 119.0° |
| CAP | CAF | H4 | 119.9° | 120.5° |
| CAE | CAI | NAR | 119.8° | 120.9° |
| CAI | CAE | H3 | 119.9° | 120.5° |
| CAE | CAI | H7 | 120.1° | 119.6° |
| CAF | CAJ | NAR | 119.9° | 120.9° |
| CAJ | CAF | H4 | 119.9° | 120.5° |
| CAF | CAJ | H8 | 120.1° | 119.6° |
| CAI | NAR | CAJ | 119.8° | 122.0° |
| CAI | NAR | CAM | 120.1° | 119.0° |
| NAR | CAI | H7 | 120.1° | 119.5° |
| CAJ | NAR | CAM | 120.1° | 119.0° |
| NAR | CAJ | H8 | 120.1° | 119.5° |
| NAR | CAM | NAS | 111.0° | 109.5° |
| NAR | CAM | H11 | 109.1° | 109.5° |
| NAR | CAM | H12 | 109.1° | 109.5° |
| CAM | NAS | CAK | 120.1° | 118.9° |
| CAM | NAS | CAL | 120.1° | 119.0° |
| NAS | CAM | H11 | 109.1° | 109.5° |
| NAS | CAM | H12 | 109.1° | 109.4° |
| CAK | NAS | CAL | 119.8° | 122.1° |
| NAS | CAK | CAG | 119.9° | 120.9° |
| NAS | CAK | H9 | 120.0° | 119.6° |
| NAS | CAL | CAH | 119.8° | 120.9° |
| NAS | CAL | H10 | 120.1° | 119.5° |
| CAK | CAG | CAQ | 120.1° | 119.0° |
| CAK | CAG | H5 | 120.0° | 120.5° |
| CAG | CAK | H9 | 120.1° | 119.5° |
| CAL | CAH | CAQ | 120.1° | 119.0° |
| CAL | CAH | H6 | 119.9° | 120.5° |
| CAH | CAL | H10 | 120.1° | 119.6° |
| CAG | CAQ | CAH | 120.2° | 118.1° |
| CAG | CAQ | CAD | 119.9° | 120.9° |
| CAQ | CAG | H5 | 119.9° | 120.5° |
| CAH | CAQ | CAD | 119.9° | 120.9° |
| CAQ | CAH | H6 | 120.0° | 120.5° |
| CAQ | CAD | NAO | 115.0° | 120.0° |
| CAQ | CAD | H2 | 122.5° | 120.0° |
| CAD | NAO | OAB | 117.0° | 120.0° |
| NAO | CAD | H2 | 122.5° | 120.0° |
| NAO | OAB | H14 | 109.5° | 113.9° |
| H11 | CAM | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | NAN | CAC | CAP | 180.0° | 180.0° |
| OAA | NAN | CAC | H1 | 0.0° | 0.3° |
| NAN | CAC | CAP | H1 | 180.0° | 179.7° |
| NAN | CAC | CAP | CAE | 56.6° | 179.7° |
| NAN | CAC | CAP | CAF | 123.3° | 0.3° |
| CAC | NAN | OAA | H13 | 180.0° | 180.0° |
| CAC | CAP | CAE | CAF | 179.9° | 180.0° |
| CAC | CAP | CAE | CAI | 180.0° | 180.0° |
| CAC | CAP | CAF | CAJ | 180.0° | 179.5° |
| CAC | CAP | CAE | H3 | 0.0° | 0.2° |
| CAC | CAP | CAF | H4 | 0.0° | 0.3° |
| CAP | CAE | CAI | H3 | 180.0° | 179.8° |
| CAE | CAP | CAF | CAJ | 0.1° | 0.5° |
| CAP | CAE | CAI | NAR | 0.0° | 0.3° |
| CAE | CAP | CAC | H1 | 123.4° | 0.0° |
| CAE | CAP | CAF | H4 | 179.9° | 179.7° |
| CAP | CAE | CAI | H7 | 180.0° | 179.7° |
| CAF | CAP | CAE | CAI | 0.1° | 0.0° |
| CAP | CAF | CAJ | H4 | 180.0° | 179.2° |
| CAP | CAF | CAJ | NAR | 0.1° | 0.8° |
| CAF | CAP | CAC | H1 | 56.7° | 180.0° |
| CAF | CAP | CAE | H3 | 179.9° | 179.8° |
| CAP | CAF | CAJ | H8 | 179.9° | 179.2° |
| CAE | CAI | NAR | H7 | 180.0° | 180.0° |
| CAE | CAI | NAR | CAJ | 0.0° | 0.0° |
| CAE | CAI | NAR | CAM | 180.0° | 180.0° |
| CAF | CAJ | NAR | CAI | 0.1° | 0.6° |
| CAF | CAJ | NAR | H8 | 180.0° | 180.0° |
| CAF | CAJ | NAR | CAM | 180.0° | 179.5° |
| CAI | NAR | CAJ | CAM | 180.0° | 180.0° |
| CAI | NAR | CAM | NAS | 114.2° | 90.0° |
| NAR | CAI | CAE | H3 | 180.0° | 180.0° |
| CAI | NAR | CAJ | H8 | 179.9° | 179.5° |
| CAI | NAR | CAM | H11 | 125.6° | 150.0° |
| CAI | NAR | CAM | H12 | 6.0° | 29.9° |
| CAJ | NAR | CAM | NAS | 65.8° | 90.0° |
| NAR | CAJ | CAF | H4 | 179.9° | 180.0° |
| CAJ | NAR | CAI | H7 | 180.0° | 180.0° |
| CAJ | NAR | CAM | H11 | 54.4° | 30.0° |
| CAJ | NAR | CAM | H12 | 174.0° | 150.0° |
| NAR | CAM | NAS | H11 | 120.2° | 120.0° |
| NAR | CAM | NAS | H12 | 120.2° | 120.0° |
| NAR | CAM | NAS | CAK | 31.9° | 90.1° |
| NAR | CAM | NAS | CAL | 148.0° | 90.0° |
| CAM | NAR | CAI | H7 | 0.0° | 0.0° |
| CAM | NAR | CAJ | H8 | 0.0° | 0.5° |
| NAR | CAM | H11 | H12 | 119.3° | 120.0° |
| CAM | NAS | CAK | CAL | 179.9° | 179.9° |
| CAM | NAS | CAK | CAG | 180.0° | 180.0° |
| CAM | NAS | CAL | CAH | 180.0° | 179.7° |
| CAM | NAS | CAK | H9 | 0.0° | 0.0° |
| CAM | NAS | CAL | H10 | 0.0° | 0.2° |
| NAS | CAM | H11 | H12 | 119.3° | 120.0° |
| NAS | CAK | CAG | H9 | 180.0° | 180.0° |
| CAK | NAS | CAL | CAH | 0.1° | 0.2° |
| NAS | CAK | CAG | CAQ | 0.1° | 0.1° |
| NAS | CAK | CAG | H5 | 179.9° | 179.7° |
| CAK | NAS | CAL | H10 | 179.9° | 179.7° |
| CAK | NAS | CAM | H11 | 152.1° | 30.0° |
| CAK | NAS | CAM | H12 | 88.3° | 150.0° |
| CAL | NAS | CAK | CAG | 0.1° | 0.1° |
| NAS | CAL | CAH | H10 | 180.0° | 179.5° |
| NAS | CAL | CAH | CAQ | 0.1° | 0.5° |
| NAS | CAL | CAH | H6 | 179.9° | 180.0° |
| CAL | NAS | CAK | H9 | 179.9° | 179.9° |
| CAL | NAS | CAM | H11 | 27.8° | 149.9° |
| CAL | NAS | CAM | H12 | 91.7° | 29.9° |
| CAK | CAG | CAQ | H5 | 180.0° | 179.8° |
| CAK | CAG | CAQ | CAH | 0.1° | 0.2° |
| CAK | CAG | CAQ | CAD | 180.0° | 179.8° |
| CAL | CAH | CAQ | CAG | 0.1° | 0.5° |
| CAL | CAH | CAQ | H6 | 180.0° | 179.5° |
| CAL | CAH | CAQ | CAD | 180.0° | 179.5° |
| CAG | CAQ | CAH | CAD | 179.9° | 180.0° |
| CAG | CAQ | CAD | NAO | 111.4° | 180.0° |
| CAG | CAQ | CAD | H2 | 68.6° | 0.0° |
| CAG | CAQ | CAH | H6 | 179.9° | 180.0° |
| CAQ | CAG | CAK | H9 | 179.9° | 180.0° |
| CAH | CAQ | CAD | NAO | 68.6° | 0.0° |
| CAH | CAQ | CAD | H2 | 111.5° | 180.0° |
| CAH | CAQ | CAG | H5 | 179.9° | 180.0° |
| CAQ | CAH | CAL | H10 | 179.9° | 180.0° |
| CAQ | CAD | NAO | H2 | 180.0° | 179.9° |
| CAQ | CAD | NAO | OAB | 180.0° | 180.0° |
| CAD | CAQ | CAG | H5 | 0.0° | 0.0° |
| CAD | CAQ | CAH | H6 | 0.0° | 0.0° |
| CAD | NAO | OAB | H14 | 180.0° | 180.0° |
| OAB | NAO | CAD | H2 | 0.0° | 0.1° |
| H3 | CAE | CAI | H7 | 0.0° | 0.0° |
| H4 | CAF | CAJ | H8 | 0.1° | 0.0° |
| H5 | CAG | CAK | H9 | 0.1° | 0.3° |
| H6 | CAH | CAL | H10 | 0.1° | 0.5° |
