MXM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAW | CAV | sing | 1.51Å | 1.51Å | |
CAV | SAT | sing | 1.76Å | 1.68Å | Aromatic |
CAV | CAU | doub | 1.33Å | 1.33Å | Aromatic |
SAT | CAR | sing | 1.71Å | 1.68Å | Aromatic |
CAU | NAS | sing | 1.32Å | 1.34Å | Aromatic |
NAS | CAR | doub | 1.30Å | 1.35Å | Aromatic |
CAR | NAP | sing | 1.39Å | 1.32Å | |
NAP | CAN | sing | 1.35Å | 1.34Å | |
CAN | OAQ | doub | 1.22Å | 1.22Å | |
CAN | CAG | sing | 1.42Å | 1.38Å | |
CAG | CAC | doub | 1.35Å | 1.43Å | |
CAG | NAJ | sing | 1.41Å | 1.40Å | |
CAC | OAH | sing | 1.35Å | 1.37Å | |
CAC | CAA | sing | 1.47Å | 1.40Å | |
CAA | CAD | doub | 1.40Å | 1.40Å | Aromatic |
CAA | CAB | sing | 1.40Å | 1.37Å | Aromatic |
CAD | CAI | sing | 1.38Å | 1.39Å | Aromatic |
CAI | CAM | doub | 1.38Å | 1.39Å | Aromatic |
CAM | CAF | sing | 1.39Å | 1.39Å | Aromatic |
CAF | CAB | doub | 1.37Å | 1.37Å | Aromatic |
CAB | SAE | sing | 1.77Å | 1.58Å | |
SAE | OAK | doub | 1.42Å | 1.54Å | |
SAE | OAL | doub | 1.42Å | 1.57Å | |
SAE | NAJ | sing | 1.67Å | 1.36Å | |
NAJ | CAO | sing | 1.46Å | 1.50Å | |
CAW | H1 | sing | 1.09Å | 1.10Å | |
CAW | H2 | sing | 1.09Å | 1.10Å | |
CAW | H3 | sing | 1.09Å | 1.10Å | |
CAU | H4 | sing | 1.08Å | 1.08Å | |
NAP | H5 | sing | 0.97Å | 1.00Å | |
OAH | H7 | sing | 0.97Å | 0.95Å | |
CAD | H8 | sing | 1.08Å | 1.08Å | |
CAI | H9 | sing | 1.08Å | 1.08Å | |
CAM | H10 | sing | 1.08Å | 1.08Å | |
CAF | H11 | sing | 1.08Å | 1.08Å | |
CAO | H14 | sing | 1.09Å | 1.10Å | |
CAO | H15 | sing | 1.09Å | 1.10Å | |
CAO | H16 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAW | CAV | SAT | 127.2° | 126.0° |
CAW | CAV | CAU | 121.9° | 126.0° |
CAV | CAW | H1 | 109.5° | 109.4° |
CAV | CAW | H2 | 109.5° | 109.5° |
CAV | CAW | H3 | 109.4° | 109.4° |
SAT | CAV | CAU | 110.9° | 108.1° |
CAV | SAT | CAR | 94.0° | 90.4° |
CAV | CAU | NAS | 110.5° | 114.6° |
CAV | CAU | H4 | 124.7° | 122.7° |
SAT | CAR | NAS | 105.2° | 110.1° |
SAT | CAR | NAP | 131.3° | 125.0° |
CAU | NAS | CAR | 118.6° | 116.9° |
NAS | CAU | H4 | 124.7° | 122.8° |
NAS | CAR | NAP | 120.2° | 125.0° |
CAR | NAP | CAN | 115.2° | 120.0° |
CAR | NAP | H5 | 122.4° | 120.0° |
NAP | CAN | OAQ | 125.3° | 120.0° |
NAP | CAN | CAG | 119.5° | 120.0° |
CAN | NAP | H5 | 122.4° | 120.0° |
OAQ | CAN | CAG | 115.0° | 120.0° |
CAN | CAG | CAC | 125.1° | 118.8° |
CAN | CAG | NAJ | 117.2° | 118.8° |
CAC | CAG | NAJ | 116.1° | 122.4° |
CAG | CAC | OAH | 119.3° | 117.8° |
CAG | CAC | CAA | 124.6° | 124.3° |
CAG | NAJ | SAE | 103.9° | 117.4° |
CAG | NAJ | CAO | 107.1° | 121.3° |
OAH | CAC | CAA | 115.6° | 117.9° |
CAC | OAH | H7 | 109.5° | 113.9° |
CAC | CAA | CAD | 120.2° | 120.3° |
CAC | CAA | CAB | 116.3° | 120.7° |
CAD | CAA | CAB | 120.4° | 119.0° |
CAA | CAD | CAI | 116.3° | 119.8° |
CAA | CAD | H8 | 121.8° | 120.1° |
CAA | CAB | CAF | 121.8° | 120.7° |
CAA | CAB | SAE | 109.5° | 118.2° |
CAD | CAI | CAM | 121.3° | 120.5° |
CAI | CAD | H8 | 121.9° | 120.1° |
CAD | CAI | H9 | 119.4° | 119.7° |
CAI | CAM | CAF | 121.2° | 120.2° |
CAM | CAI | H9 | 119.4° | 119.8° |
CAI | CAM | H10 | 119.4° | 120.0° |
CAM | CAF | CAB | 116.5° | 119.8° |
CAF | CAM | H10 | 119.4° | 119.9° |
CAM | CAF | H11 | 121.7° | 120.1° |
CAF | CAB | SAE | 125.8° | 121.0° |
CAB | CAF | H11 | 121.7° | 120.1° |
CAB | SAE | OAK | 107.2° | 106.8° |
CAB | SAE | OAL | 115.3° | 106.8° |
CAB | SAE | NAJ | 113.7° | 104.4° |
OAK | SAE | OAL | 102.4° | 123.6° |
OAK | SAE | NAJ | 102.8° | 106.7° |
OAL | SAE | NAJ | 113.6° | 107.1° |
SAE | NAJ | CAO | 135.5° | 121.3° |
NAJ | CAO | H14 | 109.5° | 109.4° |
NAJ | CAO | H15 | 109.5° | 109.5° |
NAJ | CAO | H16 | 109.5° | 109.5° |
H1 | CAW | H2 | 109.5° | 109.5° |
H1 | CAW | H3 | 109.5° | 109.5° |
H2 | CAW | H3 | 109.5° | 109.5° |
H14 | CAO | H15 | 109.5° | 109.5° |
H14 | CAO | H16 | 109.4° | 109.4° |
H15 | CAO | H16 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAW | CAV | SAT | CAU | 179.2° | 179.7° |
CAW | CAV | SAT | CAR | 175.9° | 180.0° |
CAW | CAV | CAU | NAS | 179.6° | 180.0° |
CAV | CAW | H1 | H2 | 120.0° | 120.0° |
CAV | CAW | H1 | H3 | 120.0° | 120.0° |
CAV | CAW | H2 | H3 | 120.0° | 120.0° |
CAW | CAV | CAU | H4 | 0.4° | 0.0° |
SAT | CAV | CAU | NAS | 0.3° | 0.3° |
CAV | SAT | CAR | NAS | 7.7° | 0.2° |
CAV | SAT | CAR | NAP | 166.5° | 179.9° |
SAT | CAV | CAW | H1 | 0.0° | 0.0° |
SAT | CAV | CAW | H2 | 120.0° | 120.0° |
SAT | CAV | CAW | H3 | 120.0° | 120.0° |
SAT | CAV | CAU | H4 | 179.6° | 179.8° |
CAU | CAV | SAT | CAR | 4.9° | 0.3° |
CAV | CAU | NAS | H4 | 180.0° | 180.0° |
CAV | CAU | NAS | CAR | 6.3° | 0.1° |
CAU | CAV | CAW | H1 | 179.2° | 179.7° |
CAU | CAV | CAW | H2 | 59.1° | 60.3° |
CAU | CAV | CAW | H3 | 60.9° | 59.7° |
SAT | CAR | NAS | CAU | 9.4° | 0.1° |
SAT | CAR | NAS | NAP | 161.7° | 179.9° |
SAT | CAR | NAP | CAN | 179.5° | 180.0° |
SAT | CAR | NAP | H5 | 0.5° | 0.1° |
CAU | NAS | CAR | NAP | 171.1° | 180.0° |
NAS | CAR | NAP | CAN | 24.2° | 0.1° |
CAR | NAS | CAU | H4 | 173.8° | 179.9° |
NAS | CAR | NAP | H5 | 155.7° | 179.8° |
CAR | NAP | CAN | H5 | 180.0° | 179.9° |
CAR | NAP | CAN | OAQ | 5.2° | 8.1° |
CAR | NAP | CAN | CAG | 179.9° | 171.9° |
NAP | CAN | OAQ | CAG | 175.0° | 179.9° |
NAP | CAN | CAG | CAC | 11.3° | 171.6° |
NAP | CAN | CAG | NAJ | 175.9° | 8.7° |
OAQ | CAN | CAG | CAC | 173.5° | 8.5° |
OAQ | CAN | CAG | NAJ | 8.8° | 171.2° |
OAQ | CAN | NAP | H5 | 174.8° | 171.8° |
CAN | CAG | CAC | NAJ | 164.8° | 179.7° |
CAN | CAG | CAC | OAH | 10.4° | 0.2° |
CAN | CAG | CAC | CAA | 178.5° | 179.7° |
CAN | CAG | NAJ | SAE | 147.7° | 149.6° |
CAN | CAG | NAJ | CAO | 64.6° | 30.1° |
CAG | CAN | NAP | H5 | 0.0° | 8.2° |
CAG | CAC | OAH | CAA | 171.9° | 180.0° |
CAG | CAC | CAA | CAD | 160.1° | 163.9° |
CAG | CAC | CAA | CAB | 0.1° | 16.0° |
CAC | CAG | NAJ | SAE | 46.2° | 30.6° |
CAC | CAG | NAJ | CAO | 101.4° | 149.6° |
CAG | CAC | OAH | H7 | 180.0° | 180.0° |
NAJ | CAG | CAC | OAH | 175.2° | 180.0° |
NAJ | CAG | CAC | CAA | 13.7° | 0.0° |
CAG | NAJ | SAE | CAB | 68.7° | 39.3° |
CAG | NAJ | SAE | OAK | 175.8° | 152.2° |
CAG | NAJ | SAE | OAL | 65.9° | 73.8° |
CAG | NAJ | SAE | CAO | 133.1° | 179.8° |
CAG | NAJ | CAO | H14 | 132.2° | 0.1° |
CAG | NAJ | CAO | H15 | 12.1° | 119.9° |
CAG | NAJ | CAO | H16 | 107.9° | 120.0° |
OAH | CAC | CAA | CAD | 28.4° | 16.1° |
OAH | CAC | CAA | CAB | 171.4° | 164.0° |
CAC | CAA | CAD | CAB | 159.4° | 179.9° |
CAC | CAA | CAD | CAI | 173.1° | 180.0° |
CAC | CAA | CAB | CAF | 179.7° | 179.9° |
CAC | CAA | CAB | SAE | 18.0° | 0.3° |
CAA | CAC | OAH | H7 | 8.1° | 0.1° |
CAC | CAA | CAD | H8 | 6.9° | 0.2° |
CAA | CAD | CAI | H8 | 180.0° | 179.9° |
CAA | CAD | CAI | CAM | 4.2° | 0.1° |
CAD | CAA | CAB | CAF | 20.1° | 0.0° |
CAD | CAA | CAB | SAE | 178.2° | 179.8° |
CAA | CAD | CAI | H9 | 175.8° | 180.0° |
CAB | CAA | CAD | CAI | 13.7° | 0.1° |
CAA | CAB | CAF | CAM | 15.5° | 0.0° |
CAA | CAB | CAF | SAE | 158.6° | 179.8° |
CAA | CAB | SAE | OAK | 169.8° | 137.4° |
CAA | CAB | SAE | OAL | 76.9° | 88.5° |
CAA | CAB | SAE | NAJ | 56.9° | 24.7° |
CAB | CAA | CAD | H8 | 166.3° | 179.9° |
CAA | CAB | CAF | H11 | 164.5° | 180.0° |
CAD | CAI | CAM | H9 | 180.0° | 179.9° |
CAD | CAI | CAM | CAF | 0.5° | 0.1° |
CAD | CAI | CAM | H10 | 179.5° | 180.0° |
CAI | CAM | CAF | H10 | 180.0° | 179.9° |
CAI | CAM | CAF | CAB | 5.7° | 0.0° |
CAM | CAI | CAD | H8 | 175.8° | 180.0° |
CAI | CAM | CAF | H11 | 174.3° | 179.9° |
CAM | CAF | CAB | H11 | 180.0° | 179.9° |
CAM | CAF | CAB | SAE | 174.1° | 179.8° |
CAF | CAM | CAI | H9 | 179.6° | 180.0° |
CAF | CAB | SAE | OAK | 29.4° | 42.7° |
CAF | CAB | SAE | OAL | 83.9° | 91.3° |
CAF | CAB | SAE | NAJ | 142.3° | 155.5° |
CAB | CAF | CAM | H10 | 174.3° | 180.0° |
CAB | SAE | OAK | OAL | 121.8° | 124.3° |
CAB | SAE | OAK | NAJ | 120.2° | 111.2° |
CAB | SAE | OAL | NAJ | 133.9° | 111.4° |
CAB | SAE | NAJ | CAO | 64.4° | 140.9° |
SAE | CAB | CAF | H11 | 5.9° | 0.1° |
OAK | SAE | OAL | NAJ | 110.1° | 124.3° |
OAK | SAE | NAJ | CAO | 51.1° | 28.0° |
OAL | SAE | NAJ | CAO | 160.9° | 106.0° |
SAE | NAJ | CAO | H14 | 0.0° | 179.8° |
SAE | NAJ | CAO | H15 | 120.0° | 59.8° |
SAE | NAJ | CAO | H16 | 120.0° | 60.3° |
NAJ | CAO | H14 | H15 | 120.0° | 120.0° |
NAJ | CAO | H14 | H16 | 120.0° | 120.0° |
NAJ | CAO | H15 | H16 | 120.0° | 120.1° |
H1 | CAW | H2 | H3 | 120.0° | 120.1° |
H8 | CAD | CAI | H9 | 4.2° | 0.1° |
H9 | CAI | CAM | H10 | 0.4° | 0.0° |
H10 | CAM | CAF | H11 | 5.7° | 0.0° |
H14 | CAO | H15 | H16 | 120.0° | 120.0° |