MMH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBC | CBB | sing | 1.51Å | 1.53Å | |
| CBB | OBD | doub | 1.21Å | 1.23Å | |
| CBB | NBA | sing | 1.35Å | 1.35Å | |
| NBA | CAY | sing | 1.40Å | 1.36Å | |
| CAY | CAZ | doub | 1.39Å | 1.40Å | Aromatic |
| CAY | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| CAZ | CAS | sing | 1.39Å | 1.41Å | Aromatic |
| CAX | CAW | doub | 1.38Å | 1.40Å | Aromatic |
| CAW | CAV | sing | 1.38Å | 1.41Å | Aromatic |
| CAV | CAS | doub | 1.39Å | 1.41Å | Aromatic |
| CAS | NAR | sing | 1.40Å | 1.35Å | |
| NAR | CAG | sing | 1.35Å | 1.34Å | |
| CAG | OAQ | doub | 1.22Å | 1.23Å | |
| CAG | CAD | sing | 1.47Å | 1.55Å | |
| CAD | CAE | sing | 1.41Å | 1.39Å | Aromatic |
| CAD | CAC | doub | 1.39Å | 1.41Å | Aromatic |
| CAE | CAF | sing | 1.51Å | 1.57Å | |
| CAE | NAA | doub | 1.30Å | 1.34Å | Aromatic |
| NAA | NAB | sing | 1.40Å | 1.24Å | Aromatic |
| NAB | CAC | sing | 1.35Å | 1.34Å | Aromatic |
| CAC | NAH | sing | 1.38Å | 1.35Å | |
| NAH | NAI | sing | 1.40Å | 1.24Å | |
| NAI | CAJ | doub | 1.30Å | 1.33Å | |
| CAJ | CAL | sing | 1.47Å | 1.40Å | |
| CAL | CAK | doub | 1.40Å | 1.40Å | Aromatic |
| CAL | CAM | sing | 1.40Å | 1.40Å | Aromatic |
| CAK | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| CAO | OAT | sing | 1.36Å | 1.37Å | |
| CAO | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| OAT | CAU | sing | 1.43Å | 1.46Å | |
| CAN | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CBC | HBC | sing | 1.09Å | 1.10Å | |
| CBC | HBCA | sing | 1.09Å | 1.10Å | |
| CBC | HBCB | sing | 1.09Å | 1.10Å | |
| NBA | HNBA | sing | 0.97Å | 1.00Å | |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAF | HAFB | sing | 1.09Å | 1.10Å | |
| NAB | HNAB | sing | 0.97Å | 1.00Å | |
| NAH | HNAH | sing | 0.97Å | 1.00Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAU | HAUA | sing | 1.09Å | 1.10Å | |
| CAU | HAUB | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBC | CBB | OBD | 118.2° | 120.0° |
| CBC | CBB | NBA | 114.9° | 120.0° |
| CBB | CBC | HBC | 109.5° | 109.5° |
| CBB | CBC | HBCA | 109.5° | 109.5° |
| CBB | CBC | HBCB | 109.5° | 109.5° |
| OBD | CBB | NBA | 126.9° | 120.0° |
| CBB | NBA | CAY | 128.6° | 120.0° |
| CBB | NBA | HNBA | 115.7° | 120.0° |
| NBA | CAY | CAZ | 122.5° | 120.0° |
| NBA | CAY | CAX | 119.8° | 120.0° |
| CAY | NBA | HNBA | 115.7° | 120.0° |
| CAZ | CAY | CAX | 117.7° | 119.9° |
| CAY | CAZ | CAS | 121.9° | 119.9° |
| CAY | CAZ | HAZ | 119.0° | 120.1° |
| CAY | CAX | CAW | 122.0° | 120.0° |
| CAY | CAX | HAX | 119.0° | 120.0° |
| CAZ | CAS | CAV | 119.4° | 119.9° |
| CAZ | CAS | NAR | 117.3° | 120.0° |
| CAS | CAZ | HAZ | 119.1° | 120.1° |
| CAX | CAW | CAV | 119.7° | 120.2° |
| CAW | CAX | HAX | 119.0° | 120.0° |
| CAX | CAW | HAW | 120.1° | 119.9° |
| CAW | CAV | CAS | 119.3° | 120.1° |
| CAV | CAW | HAW | 120.2° | 119.9° |
| CAW | CAV | HAV | 120.4° | 119.9° |
| CAV | CAS | NAR | 123.1° | 120.1° |
| CAS | CAV | HAV | 120.4° | 120.0° |
| CAS | NAR | CAG | 125.8° | 120.0° |
| CAS | NAR | HNAR | 117.1° | 120.0° |
| NAR | CAG | OAQ | 123.1° | 120.0° |
| NAR | CAG | CAD | 117.0° | 120.0° |
| CAG | NAR | HNAR | 117.1° | 120.0° |
| OAQ | CAG | CAD | 119.8° | 120.0° |
| CAG | CAD | CAE | 126.2° | 126.5° |
| CAG | CAD | CAC | 130.2° | 126.6° |
| CAE | CAD | CAC | 103.3° | 106.9° |
| CAD | CAE | CAF | 128.5° | 125.9° |
| CAD | CAE | NAA | 108.0° | 108.2° |
| CAD | CAC | NAB | 107.3° | 107.1° |
| CAD | CAC | NAH | 132.9° | 126.4° |
| CAF | CAE | NAA | 123.4° | 125.9° |
| CAE | CAF | HAF | 109.5° | 109.5° |
| CAE | CAF | HAFA | 109.5° | 109.5° |
| CAE | CAF | HAFB | 109.5° | 109.5° |
| CAE | NAA | NAB | 110.4° | 109.2° |
| NAA | NAB | CAC | 110.9° | 108.5° |
| NAA | NAB | HNAB | 124.6° | 125.7° |
| NAB | CAC | NAH | 119.8° | 126.5° |
| CAC | NAB | HNAB | 124.5° | 125.8° |
| CAC | NAH | NAI | 127.3° | 120.0° |
| CAC | NAH | HNAH | 116.3° | 120.0° |
| NAH | NAI | CAJ | 116.8° | 120.0° |
| NAI | NAH | HNAH | 116.3° | 120.0° |
| NAI | CAJ | CAL | 125.5° | 120.0° |
| NAI | CAJ | HAJ | 117.2° | 120.0° |
| CAJ | CAL | CAK | 122.7° | 120.1° |
| CAJ | CAL | CAM | 118.0° | 120.1° |
| CAL | CAJ | HAJ | 117.2° | 120.0° |
| CAK | CAL | CAM | 119.3° | 119.9° |
| CAL | CAK | CAP | 120.3° | 119.9° |
| CAL | CAK | HAK | 119.8° | 120.1° |
| CAL | CAM | CAN | 120.6° | 119.9° |
| CAL | CAM | HAM | 119.7° | 120.1° |
| CAK | CAP | CAO | 119.6° | 120.1° |
| CAP | CAK | HAK | 119.9° | 120.1° |
| CAK | CAP | HAP | 120.2° | 119.9° |
| CAP | CAO | OAT | 119.3° | 119.9° |
| CAP | CAO | CAN | 120.3° | 120.3° |
| CAO | CAP | HAP | 120.2° | 120.0° |
| OAT | CAO | CAN | 120.5° | 119.9° |
| CAO | OAT | CAU | 112.9° | 117.0° |
| CAO | CAN | CAM | 120.0° | 120.1° |
| CAO | CAN | HAN | 120.0° | 120.0° |
| OAT | CAU | HAU | 109.5° | 109.5° |
| OAT | CAU | HAUA | 109.5° | 109.5° |
| OAT | CAU | HAUB | 109.4° | 109.4° |
| CAM | CAN | HAN | 120.0° | 119.9° |
| CAN | CAM | HAM | 119.7° | 120.0° |
| HBC | CBC | HBCA | 109.5° | 109.4° |
| HBC | CBC | HBCB | 109.4° | 109.5° |
| HBCA | CBC | HBCB | 109.5° | 109.5° |
| HAF | CAF | HAFA | 109.5° | 109.5° |
| HAF | CAF | HAFB | 109.4° | 109.5° |
| HAFA | CAF | HAFB | 109.5° | 109.4° |
| HAU | CAU | HAUA | 109.5° | 109.5° |
| HAU | CAU | HAUB | 109.5° | 109.4° |
| HAUA | CAU | HAUB | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBC | CBB | OBD | NBA | 179.1° | 179.9° |
| CBC | CBB | NBA | CAY | 178.2° | 175.4° |
| CBB | CBC | HBC | HBCA | 120.0° | 119.9° |
| CBB | CBC | HBC | HBCB | 120.0° | 120.1° |
| CBB | CBC | HBCA | HBCB | 120.0° | 120.1° |
| CBC | CBB | NBA | HNBA | 1.8° | 4.5° |
| OBD | CBB | NBA | CAY | 2.7° | 4.7° |
| OBD | CBB | CBC | HBC | 171.0° | 0.1° |
| OBD | CBB | CBC | HBCA | 51.0° | 120.0° |
| OBD | CBB | CBC | HBCB | 69.0° | 120.0° |
| OBD | CBB | NBA | HNBA | 177.3° | 175.4° |
| CBB | NBA | CAY | HNBA | 180.0° | 180.0° |
| CBB | NBA | CAY | CAZ | 25.4° | 35.1° |
| CBB | NBA | CAY | CAX | 157.6° | 145.1° |
| NBA | CBB | CBC | HBC | 9.8° | 180.0° |
| NBA | CBB | CBC | HBCA | 129.8° | 60.1° |
| NBA | CBB | CBC | HBCB | 110.2° | 60.0° |
| NBA | CAY | CAZ | CAX | 177.1° | 179.7° |
| NBA | CAY | CAZ | CAS | 177.3° | 180.0° |
| NBA | CAY | CAX | CAW | 178.0° | 180.0° |
| NBA | CAY | CAZ | HAZ | 2.7° | 0.0° |
| NBA | CAY | CAX | HAX | 2.0° | 0.0° |
| CAY | CAZ | CAS | HAZ | 180.0° | 180.0° |
| CAZ | CAY | CAX | CAW | 0.8° | 0.2° |
| CAY | CAZ | CAS | CAV | 1.2° | 0.1° |
| CAY | CAZ | CAS | NAR | 177.1° | 180.0° |
| CAZ | CAY | NBA | HNBA | 154.6° | 144.9° |
| CAZ | CAY | CAX | HAX | 179.2° | 179.7° |
| CAX | CAY | CAZ | CAS | 0.2° | 0.3° |
| CAY | CAX | CAW | HAX | 180.0° | 179.9° |
| CAY | CAX | CAW | CAV | 0.0° | 0.0° |
| CAX | CAY | NBA | HNBA | 22.4° | 34.8° |
| CAX | CAY | CAZ | HAZ | 179.8° | 179.8° |
| CAY | CAX | CAW | HAW | 179.9° | 180.0° |
| CAZ | CAS | CAV | CAW | 2.0° | 0.2° |
| CAZ | CAS | CAV | NAR | 175.7° | 179.9° |
| CAZ | CAS | NAR | CAG | 162.7° | 144.9° |
| CAZ | CAS | CAV | HAV | 178.0° | 180.0° |
| CAZ | CAS | NAR | HNAR | 17.3° | 35.1° |
| CAX | CAW | CAV | HAW | 180.0° | 180.0° |
| CAX | CAW | CAV | CAS | 1.4° | 0.2° |
| CAX | CAW | CAV | HAV | 178.6° | 180.0° |
| CAW | CAV | CAS | HAV | 180.0° | 179.8° |
| CAW | CAV | CAS | NAR | 177.6° | 179.7° |
| CAV | CAW | CAX | HAX | 180.0° | 180.0° |
| CAV | CAS | NAR | CAG | 13.0° | 35.2° |
| CAV | CAS | CAZ | HAZ | 178.8° | 180.0° |
| CAS | CAV | CAW | HAW | 178.5° | 179.8° |
| CAV | CAS | NAR | HNAR | 167.0° | 144.8° |
| CAS | NAR | CAG | HNAR | 180.0° | 180.0° |
| CAS | NAR | CAG | OAQ | 1.2° | 4.6° |
| CAS | NAR | CAG | CAD | 175.3° | 175.4° |
| NAR | CAS | CAZ | HAZ | 2.9° | 0.1° |
| NAR | CAS | CAV | HAV | 2.4° | 0.1° |
| NAR | CAG | OAQ | CAD | 176.3° | 179.9° |
| NAR | CAG | CAD | CAE | 174.8° | 90.0° |
| NAR | CAG | CAD | CAC | 12.2° | 89.7° |
| OAQ | CAG | CAD | CAE | 8.7° | 90.1° |
| OAQ | CAG | CAD | CAC | 164.4° | 90.3° |
| OAQ | CAG | NAR | HNAR | 178.9° | 175.4° |
| CAG | CAD | CAE | CAC | 174.6° | 179.7° |
| CAG | CAD | CAE | CAF | 4.7° | 0.0° |
| CAG | CAD | CAE | NAA | 176.8° | 180.0° |
| CAG | CAD | CAC | NAB | 176.4° | 179.9° |
| CAG | CAD | CAC | NAH | 5.6° | 0.0° |
| CAD | CAG | NAR | HNAR | 4.7° | 4.6° |
| CAD | CAE | CAF | NAA | 178.3° | 180.0° |
| CAD | CAE | NAA | NAB | 1.6° | 0.0° |
| CAE | CAD | CAC | NAB | 2.1° | 0.4° |
| CAE | CAD | CAC | NAH | 179.9° | 179.7° |
| CAD | CAE | CAF | HAF | 166.3° | 90.0° |
| CAD | CAE | CAF | HAFA | 73.8° | 150.0° |
| CAD | CAE | CAF | HAFB | 46.3° | 30.0° |
| CAC | CAD | CAE | CAF | 179.3° | 179.7° |
| CAC | CAD | CAE | NAA | 2.2° | 0.3° |
| CAD | CAC | NAB | NAA | 1.3° | 0.4° |
| CAD | CAC | NAB | NAH | 178.3° | 179.9° |
| CAD | CAC | NAH | NAI | 29.8° | 180.0° |
| CAD | CAC | NAB | HNAB | 178.7° | 179.8° |
| CAD | CAC | NAH | HNAH | 150.2° | 0.1° |
| CAF | CAE | NAA | NAB | 179.8° | 180.0° |
| CAE | CAF | HAF | HAFA | 120.0° | 120.0° |
| CAE | CAF | HAF | HAFB | 120.0° | 120.0° |
| CAE | CAF | HAFA | HAFB | 120.0° | 120.0° |
| CAE | NAA | NAB | CAC | 0.2° | 0.3° |
| NAA | CAE | CAF | HAF | 15.4° | 90.0° |
| NAA | CAE | CAF | HAFA | 104.6° | 30.0° |
| NAA | CAE | CAF | HAFB | 135.4° | 150.0° |
| CAE | NAA | NAB | HNAB | 179.9° | 180.0° |
| NAA | NAB | CAC | HNAB | 180.0° | 179.8° |
| NAA | NAB | CAC | NAH | 179.6° | 179.7° |
| NAB | CAC | NAH | NAI | 148.0° | 0.1° |
| NAB | CAC | NAH | HNAH | 32.0° | 179.8° |
| CAC | NAH | NAI | HNAH | 180.0° | 179.9° |
| CAC | NAH | NAI | CAJ | 176.7° | 180.0° |
| NAH | CAC | NAB | HNAB | 0.4° | 0.1° |
| NAH | NAI | CAJ | CAL | 177.2° | 180.0° |
| NAH | NAI | CAJ | HAJ | 2.9° | 0.0° |
| NAI | CAJ | CAL | HAJ | 180.0° | 180.0° |
| NAI | CAJ | CAL | CAK | 1.7° | 180.0° |
| NAI | CAJ | CAL | CAM | 175.9° | 0.3° |
| CAJ | NAI | NAH | HNAH | 3.3° | 0.0° |
| CAJ | CAL | CAK | CAM | 177.6° | 179.7° |
| CAJ | CAL | CAK | CAP | 178.8° | 180.0° |
| CAJ | CAL | CAM | CAN | 178.6° | 179.7° |
| CAJ | CAL | CAK | HAK | 1.2° | 0.0° |
| CAJ | CAL | CAM | HAM | 1.3° | 0.0° |
| CAL | CAK | CAP | HAK | 180.0° | 180.0° |
| CAL | CAK | CAP | CAO | 1.0° | 0.1° |
| CAK | CAL | CAM | CAN | 0.9° | 0.5° |
| CAK | CAL | CAJ | HAJ | 178.2° | 0.0° |
| CAL | CAK | CAP | HAP | 179.0° | 180.0° |
| CAK | CAL | CAM | HAM | 179.1° | 179.7° |
| CAM | CAL | CAK | CAP | 1.2° | 0.2° |
| CAL | CAM | CAN | CAO | 0.4° | 0.5° |
| CAL | CAM | CAN | HAM | 180.0° | 179.8° |
| CAM | CAL | CAJ | HAJ | 4.1° | 179.7° |
| CAM | CAL | CAK | HAK | 178.8° | 179.8° |
| CAL | CAM | CAN | HAN | 179.7° | 179.7° |
| CAK | CAP | CAO | HAP | 180.0° | 179.9° |
| CAK | CAP | CAO | OAT | 179.7° | 180.0° |
| CAK | CAP | CAO | CAN | 0.4° | 0.1° |
| CAP | CAO | OAT | CAN | 179.9° | 180.0° |
| CAP | CAO | OAT | CAU | 176.2° | 180.0° |
| CAP | CAO | CAN | CAM | 0.1° | 0.2° |
| CAO | CAP | CAK | HAK | 179.0° | 179.9° |
| CAP | CAO | CAN | HAN | 179.9° | 180.0° |
| OAT | CAO | CAN | CAM | 180.0° | 179.8° |
| OAT | CAO | CAP | HAP | 0.3° | 0.0° |
| CAO | OAT | CAU | HAU | 169.3° | 180.0° |
| CAO | OAT | CAU | HAUA | 70.7° | 59.9° |
| CAO | OAT | CAU | HAUB | 49.3° | 60.0° |
| OAT | CAO | CAN | HAN | 0.1° | 0.0° |
| CAN | CAO | OAT | CAU | 3.7° | 0.0° |
| CAO | CAN | CAM | HAN | 180.0° | 179.8° |
| CAN | CAO | CAP | HAP | 179.6° | 180.0° |
| CAO | CAN | CAM | HAM | 179.6° | 179.7° |
| OAT | CAU | HAU | HAUA | 120.0° | 120.1° |
| OAT | CAU | HAU | HAUB | 120.0° | 120.0° |
| OAT | CAU | HAUA | HAUB | 120.0° | 119.9° |
| HBC | CBC | HBCA | HBCB | 120.0° | 120.0° |
| HAX | CAX | CAW | HAW | 0.1° | 0.1° |
| HAW | CAW | CAV | HAV | 1.4° | 0.0° |
| HAF | CAF | HAFA | HAFB | 120.0° | 120.0° |
| HAK | CAK | CAP | HAP | 1.0° | 0.0° |
| HAU | CAU | HAUA | HAUB | 120.0° | 119.9° |
| HAN | CAN | CAM | HAM | 0.3° | 0.0° |
