3XM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAI | CAH | sing | 1.35Å | 1.32Å | |
| NAI | CAJ | sing | 1.35Å | 1.40Å | |
| OAO | CAJ | doub | 1.22Å | 1.22Å | |
| CAH | CAG | doub | 1.36Å | 1.40Å | |
| CAJ | CAK | sing | 1.42Å | 1.41Å | |
| CAC | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAD | sing | 1.48Å | 1.40Å | |
| CAG | CAL | sing | 1.41Å | 1.41Å | |
| CAK | CAL | doub | 1.41Å | 1.40Å | |
| CAK | CAP | sing | 1.42Å | 1.41Å | |
| CAV | CAU | sing | 1.53Å | 1.53Å | |
| CAQ | CAP | sing | 1.51Å | 1.54Å | |
| CAQ | CAS | sing | 1.53Å | 1.54Å | |
| CAD | CAE | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | OAM | sing | 1.35Å | 1.36Å | |
| CAP | OAR | doub | 1.21Å | 1.22Å | |
| CAA | OAN | sing | 1.36Å | 1.35Å | |
| CAA | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAT | CAS | sing | 1.53Å | 1.53Å | |
| CAT | CAU | sing | 1.53Å | 1.53Å | |
| CAE | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAI | HNAI | sing | 0.97Å | 1.00Å | |
| OAM | HOAM | sing | 0.97Å | 0.95Å | |
| OAN | HOAN | sing | 0.97Å | 0.95Å | |
| CAQ | H1AQ | sing | 1.09Å | 1.10Å | |
| CAQ | H2AQ | sing | 1.09Å | 1.10Å | |
| CAS | H1AS | sing | 1.09Å | 1.10Å | |
| CAS | H2AS | sing | 1.09Å | 1.10Å | |
| CAT | H1AT | sing | 1.09Å | 1.10Å | |
| CAT | H2AT | sing | 1.09Å | 1.10Å | |
| CAU | H1AU | sing | 1.09Å | 1.10Å | |
| CAU | H2AU | sing | 1.09Å | 1.10Å | |
| CAV | H1AV | sing | 1.09Å | 1.10Å | |
| CAV | H2AV | sing | 1.09Å | 1.10Å | |
| CAV | H3AV | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | NAI | CAJ | 121.7° | 121.4° |
| NAI | CAH | CAG | 120.7° | 121.3° |
| NAI | CAH | HAH | 119.7° | 119.4° |
| CAH | NAI | HNAI | 119.2° | 119.3° |
| NAI | CAJ | OAO | 116.4° | 119.9° |
| NAI | CAJ | CAK | 121.1° | 120.1° |
| CAJ | NAI | HNAI | 119.2° | 119.3° |
| OAO | CAJ | CAK | 122.6° | 120.0° |
| CAH | CAG | CAD | 116.4° | 120.1° |
| CAH | CAG | CAL | 118.5° | 119.8° |
| CAG | CAH | HAH | 119.6° | 119.3° |
| CAJ | CAK | CAL | 115.7° | 118.7° |
| CAJ | CAK | CAP | 125.0° | 120.6° |
| CAB | CAC | CAD | 120.8° | 120.0° |
| CAC | CAB | CAA | 119.4° | 120.0° |
| CAC | CAB | HAB | 120.3° | 120.0° |
| CAB | CAC | HAC | 119.6° | 120.0° |
| CAC | CAD | CAG | 117.6° | 120.1° |
| CAC | CAD | CAE | 119.5° | 119.8° |
| CAD | CAC | HAC | 119.6° | 120.1° |
| CAB | CAA | OAN | 118.8° | 119.9° |
| CAB | CAA | CAF | 120.6° | 120.1° |
| CAA | CAB | HAB | 120.3° | 120.0° |
| CAD | CAG | CAL | 125.2° | 120.1° |
| CAG | CAD | CAE | 122.9° | 120.1° |
| CAG | CAL | CAK | 122.4° | 118.7° |
| CAG | CAL | OAM | 119.8° | 120.7° |
| CAL | CAK | CAP | 119.2° | 120.7° |
| CAK | CAL | OAM | 117.8° | 120.7° |
| CAK | CAP | CAQ | 120.0° | 120.0° |
| CAK | CAP | OAR | 120.9° | 120.0° |
| CAV | CAU | CAT | 109.1° | 109.5° |
| CAV | CAU | H1AU | 109.5° | 109.4° |
| CAV | CAU | H2AU | 109.5° | 109.5° |
| CAU | CAV | H1AV | 109.5° | 109.4° |
| CAU | CAV | H2AV | 109.5° | 109.5° |
| CAU | CAV | H3AV | 109.4° | 109.5° |
| CAP | CAQ | CAS | 110.4° | 109.4° |
| CAQ | CAP | OAR | 119.1° | 120.0° |
| CAP | CAQ | H1AQ | 109.2° | 109.5° |
| CAP | CAQ | H2AQ | 109.2° | 109.5° |
| CAQ | CAS | CAT | 109.5° | 109.4° |
| CAS | CAQ | H1AQ | 109.2° | 109.5° |
| CAS | CAQ | H2AQ | 109.3° | 109.5° |
| CAQ | CAS | H1AS | 109.5° | 109.5° |
| CAQ | CAS | H2AS | 109.5° | 109.5° |
| CAD | CAE | CAF | 120.0° | 120.0° |
| CAD | CAE | HAE | 120.0° | 120.0° |
| CAL | OAM | HOAM | 109.5° | 114.0° |
| OAN | CAA | CAF | 120.6° | 119.9° |
| CAA | OAN | HOAN | 109.5° | 114.0° |
| CAA | CAF | CAE | 119.6° | 120.1° |
| CAA | CAF | HAF | 120.2° | 120.0° |
| CAS | CAT | CAU | 110.0° | 109.4° |
| CAT | CAS | H1AS | 109.5° | 109.5° |
| CAT | CAS | H2AS | 109.4° | 109.5° |
| CAS | CAT | H1AT | 109.3° | 109.5° |
| CAS | CAT | H2AT | 109.3° | 109.5° |
| CAU | CAT | H1AT | 109.4° | 109.4° |
| CAU | CAT | H2AT | 109.3° | 109.4° |
| CAT | CAU | H1AU | 109.6° | 109.5° |
| CAT | CAU | H2AU | 109.5° | 109.5° |
| CAF | CAE | HAE | 120.0° | 120.0° |
| CAE | CAF | HAF | 120.2° | 120.0° |
| H1AQ | CAQ | H2AQ | 109.4° | 109.5° |
| H1AS | CAS | H2AS | 109.5° | 109.5° |
| H1AT | CAT | H2AT | 109.5° | 109.5° |
| H1AU | CAU | H2AU | 109.5° | 109.4° |
| H1AV | CAV | H2AV | 109.5° | 109.5° |
| H1AV | CAV | H3AV | 109.5° | 109.5° |
| H2AV | CAV | H3AV | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | NAI | CAJ | HNAI | 180.0° | 180.0° |
| CAH | NAI | CAJ | OAO | 179.9° | 180.0° |
| NAI | CAH | CAG | HAH | 180.0° | 179.9° |
| CAH | NAI | CAJ | CAK | 0.1° | 0.1° |
| NAI | CAH | CAG | CAD | 179.8° | 180.0° |
| NAI | CAH | CAG | CAL | 0.4° | 0.3° |
| NAI | CAJ | OAO | CAK | 179.8° | 179.9° |
| CAJ | NAI | CAH | CAG | 0.4° | 0.1° |
| NAI | CAJ | CAK | CAL | 0.1° | 0.3° |
| NAI | CAJ | CAK | CAP | 179.7° | 180.0° |
| CAJ | NAI | CAH | HAH | 179.6° | 180.0° |
| OAO | CAJ | CAK | CAL | 179.7° | 179.8° |
| OAO | CAJ | CAK | CAP | 0.5° | 0.0° |
| OAO | CAJ | NAI | HNAI | 0.1° | 0.0° |
| CAH | CAG | CAD | CAC | 31.4° | 65.3° |
| CAH | CAG | CAD | CAL | 179.7° | 179.7° |
| CAH | CAG | CAL | CAK | 0.3° | 0.5° |
| CAH | CAG | CAD | CAE | 147.6° | 114.8° |
| CAH | CAG | CAL | OAM | 179.5° | 179.7° |
| CAG | CAH | NAI | HNAI | 179.6° | 179.9° |
| CAJ | CAK | CAL | CAG | 0.0° | 0.5° |
| CAJ | CAK | CAL | CAP | 179.8° | 179.7° |
| CAJ | CAK | CAP | CAQ | 10.0° | 6.0° |
| CAJ | CAK | CAL | OAM | 179.7° | 179.7° |
| CAJ | CAK | CAP | OAR | 170.1° | 174.0° |
| CAK | CAJ | NAI | HNAI | 179.9° | 179.9° |
| CAB | CAC | CAD | HAC | 180.0° | 180.0° |
| CAC | CAB | CAA | HAB | 180.0° | 179.9° |
| CAB | CAC | CAD | CAG | 179.6° | 180.0° |
| CAB | CAC | CAD | CAE | 0.6° | 0.0° |
| CAC | CAB | CAA | OAN | 180.0° | 180.0° |
| CAC | CAB | CAA | CAF | 0.2° | 0.2° |
| CAD | CAC | CAB | CAA | 0.4° | 0.0° |
| CAC | CAD | CAG | CAE | 179.0° | 180.0° |
| CAC | CAD | CAG | CAL | 149.0° | 115.0° |
| CAC | CAD | CAE | CAF | 0.6° | 0.3° |
| CAD | CAC | CAB | HAB | 179.6° | 180.0° |
| CAC | CAD | CAE | HAE | 179.4° | 180.0° |
| CAB | CAA | OAN | CAF | 179.8° | 179.8° |
| CAB | CAA | CAF | CAE | 0.2° | 0.5° |
| CAA | CAB | CAC | HAC | 179.6° | 180.0° |
| CAB | CAA | CAF | HAF | 179.8° | 179.8° |
| CAB | CAA | OAN | HOAN | 180.0° | 89.7° |
| CAD | CAG | CAL | CAK | 179.9° | 179.7° |
| CAD | CAG | CAL | OAM | 0.2° | 0.0° |
| CAG | CAD | CAE | CAF | 179.6° | 179.8° |
| CAG | CAD | CAC | HAC | 0.4° | 0.0° |
| CAG | CAD | CAE | HAE | 0.4° | 0.1° |
| CAD | CAG | CAH | HAH | 0.1° | 0.0° |
| CAG | CAL | CAK | OAM | 179.8° | 179.8° |
| CAG | CAL | CAK | CAP | 179.8° | 179.7° |
| CAL | CAG | CAD | CAE | 32.1° | 65.0° |
| CAL | CAG | CAH | HAH | 179.6° | 179.8° |
| CAG | CAL | OAM | HOAM | 175.6° | 174.4° |
| CAL | CAK | CAP | CAQ | 170.2° | 174.3° |
| CAL | CAK | CAP | OAR | 9.7° | 5.7° |
| CAK | CAL | OAM | HOAM | 4.2° | 5.8° |
| CAK | CAP | CAQ | OAR | 179.9° | 180.0° |
| CAK | CAP | CAQ | CAS | 174.3° | 180.0° |
| CAP | CAK | CAL | OAM | 0.1° | 0.0° |
| CAK | CAP | CAQ | H1AQ | 54.2° | 60.0° |
| CAK | CAP | CAQ | H2AQ | 65.5° | 60.0° |
| CAV | CAU | CAT | CAS | 117.4° | 180.0° |
| CAV | CAU | CAT | H1AU | 119.9° | 120.0° |
| CAV | CAU | CAT | H2AU | 119.9° | 120.0° |
| CAV | CAU | CAT | H1AT | 2.6° | 60.0° |
| CAV | CAU | CAT | H2AT | 122.5° | 60.0° |
| CAV | CAU | H1AU | H2AU | 120.1° | 119.9° |
| CAU | CAV | H1AV | H2AV | 120.0° | 120.0° |
| CAU | CAV | H1AV | H3AV | 120.0° | 120.0° |
| CAU | CAV | H2AV | H3AV | 120.0° | 120.0° |
| CAP | CAQ | CAS | H1AQ | 120.2° | 120.0° |
| CAP | CAQ | CAS | H2AQ | 120.1° | 120.0° |
| CAP | CAQ | CAS | CAT | 153.8° | 180.0° |
| CAP | CAQ | H1AQ | H2AQ | 119.5° | 120.0° |
| CAP | CAQ | CAS | H1AS | 33.8° | 60.0° |
| CAP | CAQ | CAS | H2AS | 86.2° | 60.1° |
| CAS | CAQ | CAP | OAR | 5.5° | 0.0° |
| CAQ | CAS | CAT | H1AS | 120.0° | 120.0° |
| CAQ | CAS | CAT | H2AS | 120.0° | 120.0° |
| CAQ | CAS | CAT | CAU | 156.8° | 180.0° |
| CAS | CAQ | H1AQ | H2AQ | 119.6° | 120.0° |
| CAQ | CAS | H1AS | H2AS | 120.0° | 120.0° |
| CAQ | CAS | CAT | H1AT | 36.7° | 60.0° |
| CAQ | CAS | CAT | H2AT | 83.1° | 60.0° |
| CAD | CAE | CAF | CAA | 0.4° | 0.5° |
| CAD | CAE | CAF | HAE | 180.0° | 179.7° |
| CAE | CAD | CAC | HAC | 179.4° | 180.0° |
| CAD | CAE | CAF | HAF | 179.6° | 179.7° |
| OAR | CAP | CAQ | H1AQ | 125.7° | 120.0° |
| OAR | CAP | CAQ | H2AQ | 114.7° | 120.0° |
| OAN | CAA | CAF | CAE | 180.0° | 179.7° |
| OAN | CAA | CAB | HAB | 0.0° | 0.1° |
| OAN | CAA | CAF | HAF | 0.0° | 0.1° |
| CAA | CAF | CAE | HAF | 180.0° | 179.8° |
| CAF | CAA | CAB | HAB | 179.8° | 179.7° |
| CAA | CAF | CAE | HAE | 179.6° | 179.8° |
| CAF | CAA | OAN | HOAN | 0.2° | 90.1° |
| CAS | CAT | CAU | H1AT | 120.1° | 120.0° |
| CAS | CAT | CAU | H2AT | 120.1° | 120.0° |
| CAT | CAS | CAQ | H1AQ | 86.0° | 60.0° |
| CAT | CAS | CAQ | H2AQ | 33.7° | 60.0° |
| CAT | CAS | H1AS | H2AS | 120.0° | 120.0° |
| CAS | CAT | H1AT | H2AT | 119.7° | 120.1° |
| CAS | CAT | CAU | H1AU | 2.5° | 60.0° |
| CAS | CAT | CAU | H2AU | 122.6° | 60.0° |
| CAU | CAT | CAS | H1AS | 83.2° | 60.0° |
| CAU | CAT | CAS | H2AS | 36.8° | 60.0° |
| CAU | CAT | H1AT | H2AT | 119.8° | 119.9° |
| CAT | CAU | H1AU | H2AU | 120.2° | 120.0° |
| CAT | CAU | CAV | H1AV | 180.0° | 60.0° |
| CAT | CAU | CAV | H2AV | 60.0° | 60.0° |
| CAT | CAU | CAV | H3AV | 60.0° | 180.0° |
| HAB | CAB | CAC | HAC | 0.4° | 0.1° |
| HAE | CAE | CAF | HAF | 0.5° | 0.1° |
| HAH | CAH | NAI | HNAI | 0.3° | 0.0° |
| H1AQ | CAQ | CAS | H1AS | 154.0° | 180.0° |
| H1AQ | CAQ | CAS | H2AS | 34.0° | 59.9° |
| H2AQ | CAQ | CAS | H1AS | 86.3° | 60.0° |
| H2AQ | CAQ | CAS | H2AS | 153.7° | 180.0° |
| H1AS | CAS | CAT | H1AT | 156.7° | 180.0° |
| H1AS | CAS | CAT | H2AT | 36.9° | 60.0° |
| H2AS | CAS | CAT | H1AT | 83.3° | 59.9° |
| H2AS | CAS | CAT | H2AT | 156.9° | 180.0° |
| H1AT | CAT | CAU | H1AU | 122.6° | 180.0° |
| H1AT | CAT | CAU | H2AU | 117.3° | 60.0° |
| H2AT | CAT | CAU | H1AU | 117.6° | 60.0° |
| H2AT | CAT | CAU | H2AU | 2.5° | 180.0° |
| H1AU | CAU | CAV | H1AV | 60.0° | 179.9° |
| H1AU | CAU | CAV | H2AV | 60.0° | 60.0° |
| H1AU | CAU | CAV | H3AV | 180.0° | 60.0° |
| H2AU | CAU | CAV | H1AV | 60.1° | 60.0° |
| H2AU | CAU | CAV | H2AV | 179.9° | 180.0° |
| H2AU | CAU | CAV | H3AV | 59.9° | 59.9° |
| H1AV | CAV | H2AV | H3AV | 120.0° | 120.0° |
