M0A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NBA | CAZ | sing | 1.47Å | 1.49Å | |
| CAZ | CAW | sing | 1.51Å | 1.52Å | |
| CAW | CAY | doub | 1.38Å | 1.38Å | Aromatic |
| CAW | CAU | sing | 1.38Å | 1.43Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.38Å | Aromatic |
| CAU | CAT | doub | 1.38Å | 1.42Å | Aromatic |
| NAR | CAG | sing | 1.38Å | 1.35Å | |
| CAX | CAV | doub | 1.38Å | 1.41Å | Aromatic |
| NAI | CAG | doub | 1.31Å | 1.34Å | Aromatic |
| NAI | CAA | sing | 1.34Å | 1.37Å | Aromatic |
| CAG | CAH | sing | 1.41Å | 1.34Å | Aromatic |
| CAC | CAA | doub | 1.40Å | 1.37Å | Aromatic |
| CAC | CAE | sing | 1.36Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.42Å | 1.38Å | Aromatic |
| CAH | NAK | sing | 1.35Å | 1.36Å | Aromatic |
| CAH | CAJ | doub | 1.40Å | 1.35Å | Aromatic |
| CAE | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAT | CAV | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | CAS | sing | 1.51Å | 1.60Å | |
| NAK | CAL | doub | 1.30Å | 1.32Å | Aromatic |
| CAB | CAJ | sing | 1.46Å | 1.38Å | Aromatic |
| CAB | CAD | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | NAM | sing | 1.37Å | 1.33Å | Aromatic |
| CAF | CAD | sing | 1.36Å | 1.37Å | Aromatic |
| CAL | NAM | sing | 1.36Å | 1.32Å | Aromatic |
| CAL | CAN | sing | 1.51Å | 1.49Å | |
| NAM | CAS | sing | 1.46Å | 1.48Å | |
| CAN | CAO | sing | 1.53Å | 1.55Å | |
| CAO | CAP | sing | 1.53Å | 1.52Å | |
| CAP | CAQ | sing | 1.53Å | 1.51Å | |
| CAQ | H1 | sing | 1.09Å | 1.10Å | |
| CAQ | H2 | sing | 1.09Å | 1.10Å | |
| CAQ | H3 | sing | 1.09Å | 1.10Å | |
| CAP | H4 | sing | 1.09Å | 1.10Å | |
| CAP | H5 | sing | 1.09Å | 1.10Å | |
| CAO | H6 | sing | 1.09Å | 1.10Å | |
| CAO | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| NAR | H10 | sing | 0.97Å | 1.00Å | |
| NAR | H11 | sing | 0.97Å | 1.00Å | |
| CAC | H12 | sing | 1.08Å | 1.08Å | |
| CAE | H13 | sing | 1.08Å | 1.08Å | |
| CAF | H14 | sing | 1.08Å | 1.08Å | |
| CAD | H15 | sing | 1.08Å | 1.08Å | |
| CAS | H16 | sing | 1.09Å | 1.10Å | |
| CAS | H17 | sing | 1.09Å | 1.10Å | |
| CAU | H18 | sing | 1.08Å | 1.08Å | |
| CAV | H19 | sing | 1.08Å | 1.08Å | |
| CAX | H20 | sing | 1.08Å | 1.08Å | |
| CAY | H21 | sing | 1.08Å | 1.08Å | |
| CAZ | H22 | sing | 1.09Å | 1.10Å | |
| CAZ | H23 | sing | 1.09Å | 1.10Å | |
| NBA | H24 | sing | 1.01Å | 1.00Å | |
| NBA | H25 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NBA | CAZ | CAW | 111.6° | 109.5° |
| NBA | CAZ | H22 | 108.9° | 109.5° |
| NBA | CAZ | H23 | 108.9° | 109.5° |
| CAZ | NBA | H24 | 109.5° | 111.0° |
| CAZ | NBA | H25 | 109.5° | 111.0° |
| CAZ | CAW | CAY | 113.7° | 120.0° |
| CAZ | CAW | CAU | 126.3° | 120.0° |
| CAW | CAZ | H22 | 108.9° | 109.5° |
| CAW | CAZ | H23 | 108.9° | 109.5° |
| CAY | CAW | CAU | 119.9° | 120.0° |
| CAW | CAY | CAX | 119.1° | 120.0° |
| CAW | CAY | H21 | 120.5° | 120.1° |
| CAW | CAU | CAT | 122.6° | 120.0° |
| CAW | CAU | H18 | 118.7° | 120.0° |
| CAY | CAX | CAV | 120.8° | 120.0° |
| CAY | CAX | H20 | 119.6° | 120.0° |
| CAX | CAY | H21 | 120.5° | 120.0° |
| CAU | CAT | CAV | 114.4° | 120.0° |
| CAU | CAT | CAS | 126.5° | 120.0° |
| CAT | CAU | H18 | 118.7° | 120.0° |
| NAR | CAG | NAI | 121.3° | 119.1° |
| NAR | CAG | CAH | 116.7° | 119.1° |
| CAG | NAR | H10 | 109.5° | 120.1° |
| CAG | NAR | H11 | 109.5° | 120.0° |
| CAX | CAV | CAT | 123.2° | 120.0° |
| CAX | CAV | H19 | 118.4° | 120.0° |
| CAV | CAX | H20 | 119.6° | 120.0° |
| CAG | NAI | CAA | 118.6° | 122.8° |
| NAI | CAG | CAH | 122.1° | 121.8° |
| NAI | CAA | CAC | 117.9° | 120.9° |
| NAI | CAA | CAB | 121.4° | 120.2° |
| CAG | CAH | NAK | 131.8° | 134.1° |
| CAG | CAH | CAJ | 119.8° | 118.9° |
| CAA | CAC | CAE | 118.5° | 119.8° |
| CAC | CAA | CAB | 120.7° | 119.0° |
| CAA | CAC | H12 | 120.7° | 120.1° |
| CAC | CAE | CAF | 120.8° | 121.0° |
| CAE | CAC | H12 | 120.8° | 120.1° |
| CAC | CAE | H13 | 119.6° | 119.5° |
| CAA | CAB | CAJ | 117.2° | 118.3° |
| CAA | CAB | CAD | 121.0° | 119.8° |
| NAK | CAH | CAJ | 108.2° | 106.9° |
| CAH | NAK | CAL | 106.3° | 109.5° |
| CAH | CAJ | CAB | 121.0° | 118.0° |
| CAH | CAJ | NAM | 106.9° | 106.5° |
| CAE | CAF | CAD | 119.8° | 120.7° |
| CAF | CAE | H13 | 119.6° | 119.4° |
| CAE | CAF | H14 | 120.1° | 119.6° |
| CAV | CAT | CAS | 119.1° | 120.0° |
| CAT | CAV | H19 | 118.4° | 120.0° |
| CAT | CAS | NAM | 104.3° | 109.5° |
| CAT | CAS | H16 | 110.7° | 109.5° |
| CAT | CAS | H17 | 110.8° | 109.5° |
| NAK | CAL | NAM | 110.1° | 109.8° |
| NAK | CAL | CAN | 125.2° | 125.1° |
| CAJ | CAB | CAD | 121.8° | 121.9° |
| CAB | CAJ | NAM | 132.1° | 135.5° |
| CAB | CAD | CAF | 119.3° | 119.7° |
| CAB | CAD | H15 | 120.4° | 120.2° |
| CAJ | NAM | CAL | 108.5° | 107.3° |
| CAJ | NAM | CAS | 130.5° | 126.4° |
| CAD | CAF | H14 | 120.1° | 119.7° |
| CAF | CAD | H15 | 120.3° | 120.1° |
| NAM | CAL | CAN | 124.7° | 125.1° |
| CAL | NAM | CAS | 120.4° | 126.3° |
| CAL | CAN | CAO | 108.1° | 109.5° |
| CAL | CAN | H8 | 109.8° | 109.5° |
| CAL | CAN | H9 | 109.8° | 109.5° |
| NAM | CAS | H16 | 110.7° | 109.4° |
| NAM | CAS | H17 | 110.7° | 109.5° |
| CAN | CAO | CAP | 116.5° | 109.5° |
| CAN | CAO | H6 | 107.7° | 109.5° |
| CAN | CAO | H7 | 107.7° | 109.4° |
| CAO | CAN | H8 | 109.8° | 109.5° |
| CAO | CAN | H9 | 109.8° | 109.4° |
| CAO | CAP | CAQ | 112.1° | 109.5° |
| CAO | CAP | H4 | 108.8° | 109.5° |
| CAO | CAP | H5 | 108.8° | 109.5° |
| CAP | CAO | H6 | 107.7° | 109.5° |
| CAP | CAO | H7 | 107.7° | 109.5° |
| CAP | CAQ | H1 | 109.5° | 109.5° |
| CAP | CAQ | H2 | 109.5° | 109.4° |
| CAP | CAQ | H3 | 109.5° | 109.5° |
| CAQ | CAP | H4 | 108.8° | 109.5° |
| CAQ | CAP | H5 | 108.8° | 109.5° |
| H1 | CAQ | H2 | 109.5° | 109.5° |
| H1 | CAQ | H3 | 109.5° | 109.5° |
| H2 | CAQ | H3 | 109.5° | 109.5° |
| H4 | CAP | H5 | 109.5° | 109.5° |
| H6 | CAO | H7 | 109.5° | 109.5° |
| H8 | CAN | H9 | 109.5° | 109.5° |
| H10 | NAR | H11 | 109.4° | 119.9° |
| H16 | CAS | H17 | 109.5° | 109.5° |
| H22 | CAZ | H23 | 109.5° | 109.4° |
| H24 | NBA | H25 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NBA | CAZ | CAW | H22 | 120.3° | 120.0° |
| NBA | CAZ | CAW | H23 | 120.3° | 120.0° |
| NBA | CAZ | CAW | CAY | 163.1° | 90.0° |
| NBA | CAZ | CAW | CAU | 16.5° | 89.2° |
| NBA | CAZ | H22 | H23 | 119.0° | 120.0° |
| CAZ | NBA | H24 | H25 | 120.0° | 124.0° |
| CAZ | CAW | CAY | CAU | 179.6° | 179.2° |
| CAZ | CAW | CAY | CAX | 179.9° | 180.0° |
| CAZ | CAW | CAU | CAT | 179.7° | 179.7° |
| CAZ | CAW | CAU | H18 | 0.3° | 0.3° |
| CAZ | CAW | CAY | H21 | 0.1° | 0.5° |
| CAW | CAZ | H22 | H23 | 119.0° | 120.0° |
| CAW | CAZ | NBA | H24 | 180.0° | 56.0° |
| CAW | CAZ | NBA | H25 | 60.0° | 180.0° |
| CAW | CAY | CAX | H21 | 180.0° | 179.5° |
| CAY | CAW | CAU | CAT | 0.2° | 0.5° |
| CAW | CAY | CAX | CAV | 0.5° | 0.5° |
| CAY | CAW | CAU | H18 | 179.8° | 179.6° |
| CAW | CAY | CAX | H20 | 179.5° | 179.5° |
| CAY | CAW | CAZ | H22 | 76.6° | 150.0° |
| CAY | CAW | CAZ | H23 | 42.8° | 30.0° |
| CAU | CAW | CAY | CAX | 0.6° | 0.7° |
| CAW | CAU | CAT | H18 | 180.0° | 179.9° |
| CAW | CAU | CAT | CAV | 0.2° | 0.0° |
| CAW | CAU | CAT | CAS | 177.1° | 179.7° |
| CAU | CAW | CAY | H21 | 179.4° | 179.7° |
| CAU | CAW | CAZ | H22 | 103.9° | 30.8° |
| CAU | CAW | CAZ | H23 | 136.8° | 150.8° |
| CAY | CAX | CAV | H20 | 180.0° | 180.0° |
| CAY | CAX | CAV | CAT | 0.2° | 0.0° |
| CAY | CAX | CAV | H19 | 179.8° | 180.0° |
| CAU | CAT | CAV | CAX | 0.2° | 0.2° |
| CAU | CAT | CAV | CAS | 177.1° | 179.8° |
| CAU | CAT | CAS | NAM | 24.8° | 96.3° |
| CAU | CAT | CAS | H16 | 144.0° | 143.7° |
| CAU | CAT | CAS | H17 | 94.3° | 23.7° |
| CAU | CAT | CAV | H19 | 179.8° | 179.8° |
| NAR | CAG | NAI | CAH | 179.5° | 180.0° |
| NAR | CAG | NAI | CAA | 178.8° | 180.0° |
| NAR | CAG | CAH | NAK | 4.8° | 0.0° |
| NAR | CAG | CAH | CAJ | 179.4° | 180.0° |
| CAG | NAR | H10 | H11 | 120.0° | 180.0° |
| CAX | CAV | CAT | H19 | 180.0° | 180.0° |
| CAX | CAV | CAT | CAS | 177.3° | 180.0° |
| CAV | CAX | CAY | H21 | 179.5° | 180.0° |
| CAG | NAI | CAA | CAC | 179.5° | 179.9° |
| CAG | NAI | CAA | CAB | 0.7° | 0.1° |
| NAI | CAG | CAH | NAK | 175.6° | 180.0° |
| NAI | CAG | CAH | CAJ | 0.2° | 0.0° |
| NAI | CAG | NAR | H10 | 0.0° | 180.0° |
| NAI | CAG | NAR | H11 | 120.0° | 0.0° |
| CAA | NAI | CAG | CAH | 0.8° | 0.0° |
| NAI | CAA | CAC | CAB | 178.8° | 180.0° |
| NAI | CAA | CAC | CAE | 178.8° | 180.0° |
| NAI | CAA | CAB | CAJ | 0.0° | 0.0° |
| NAI | CAA | CAB | CAD | 176.9° | 180.0° |
| NAI | CAA | CAC | H12 | 1.2° | 0.0° |
| CAG | CAH | NAK | CAJ | 176.2° | 180.0° |
| CAG | CAH | NAK | CAL | 177.8° | 180.0° |
| CAG | CAH | CAJ | CAB | 0.6° | 0.0° |
| CAG | CAH | CAJ | NAM | 177.1° | 180.0° |
| CAH | CAG | NAR | H10 | 179.6° | 0.0° |
| CAH | CAG | NAR | H11 | 60.4° | 180.0° |
| CAA | CAC | CAE | H12 | 180.0° | 180.0° |
| CAA | CAC | CAE | CAF | 1.3° | 0.0° |
| CAC | CAA | CAB | CAJ | 178.7° | 179.9° |
| CAC | CAA | CAB | CAD | 1.8° | 0.0° |
| CAA | CAC | CAE | H13 | 178.7° | 180.0° |
| CAE | CAC | CAA | CAB | 0.1° | 0.0° |
| CAC | CAE | CAF | H13 | 180.0° | 180.0° |
| CAC | CAE | CAF | CAD | 0.7° | 0.0° |
| CAC | CAE | CAF | H14 | 179.3° | 179.9° |
| CAA | CAB | CAJ | CAH | 0.7° | 0.0° |
| CAA | CAB | CAJ | CAD | 176.8° | 180.0° |
| CAA | CAB | CAJ | NAM | 176.3° | 180.0° |
| CAA | CAB | CAD | CAF | 2.5° | 0.0° |
| CAB | CAA | CAC | H12 | 180.0° | 180.0° |
| CAA | CAB | CAD | H15 | 177.5° | 180.0° |
| NAK | CAH | CAJ | CAB | 177.3° | 180.0° |
| NAK | CAH | CAJ | NAM | 0.4° | 0.0° |
| CAH | NAK | CAL | NAM | 2.4° | 0.0° |
| CAH | NAK | CAL | CAN | 178.9° | 179.7° |
| CAJ | CAH | NAK | CAL | 1.7° | 0.0° |
| CAH | CAJ | CAB | NAM | 176.9° | 180.0° |
| CAH | CAJ | CAB | CAD | 177.5° | 180.0° |
| CAH | CAJ | NAM | CAL | 1.1° | 0.0° |
| CAH | CAJ | NAM | CAS | 172.1° | 179.7° |
| CAE | CAF | CAD | CAB | 1.2° | 0.0° |
| CAE | CAF | CAD | H14 | 180.0° | 179.9° |
| CAF | CAE | CAC | H12 | 178.7° | 180.0° |
| CAE | CAF | CAD | H15 | 178.8° | 180.0° |
| CAV | CAT | CAS | NAM | 151.9° | 83.4° |
| CAV | CAT | CAS | H16 | 32.7° | 36.5° |
| CAV | CAT | CAS | H17 | 88.9° | 156.6° |
| CAV | CAT | CAU | H18 | 179.8° | 180.0° |
| CAT | CAV | CAX | H20 | 179.9° | 180.0° |
| CAT | CAS | NAM | CAJ | 64.6° | 95.3° |
| CAT | CAS | NAM | CAL | 105.4° | 85.0° |
| CAT | CAS | NAM | H16 | 119.2° | 120.0° |
| CAT | CAS | NAM | H17 | 119.2° | 120.0° |
| CAT | CAS | H16 | H17 | 122.4° | 120.0° |
| CAS | CAT | CAU | H18 | 2.9° | 0.2° |
| CAS | CAT | CAV | H19 | 2.7° | 0.0° |
| NAK | CAL | NAM | CAJ | 2.3° | 0.0° |
| NAK | CAL | NAM | CAN | 178.7° | 179.7° |
| NAK | CAL | NAM | CAS | 174.3° | 179.7° |
| NAK | CAL | CAN | CAO | 108.9° | 89.7° |
| NAK | CAL | CAN | H8 | 131.3° | 150.4° |
| NAK | CAL | CAN | H9 | 10.9° | 30.3° |
| CAJ | CAB | CAD | CAF | 179.2° | 179.9° |
| CAB | CAJ | NAM | CAL | 178.4° | 180.0° |
| CAB | CAJ | NAM | CAS | 10.6° | 0.2° |
| CAJ | CAB | CAD | H15 | 0.8° | 0.1° |
| CAD | CAB | CAJ | NAM | 0.5° | 0.0° |
| CAB | CAD | CAF | H15 | 180.0° | 180.0° |
| CAB | CAD | CAF | H14 | 178.8° | 180.0° |
| CAJ | NAM | CAL | CAS | 172.1° | 179.8° |
| CAJ | NAM | CAL | CAN | 179.0° | 179.7° |
| CAJ | NAM | CAS | H16 | 54.5° | 24.7° |
| CAJ | NAM | CAS | H17 | 176.2° | 144.7° |
| CAD | CAF | CAE | H13 | 179.3° | 180.0° |
| NAM | CAL | CAN | CAO | 69.6° | 90.0° |
| NAM | CAL | CAN | H8 | 50.2° | 30.0° |
| NAM | CAL | CAN | H9 | 170.6° | 150.1° |
| CAL | NAM | CAS | H16 | 135.4° | 155.0° |
| CAL | NAM | CAS | H17 | 13.8° | 35.1° |
| CAN | CAL | NAM | CAS | 7.0° | 0.0° |
| CAL | CAN | CAO | H8 | 119.8° | 120.0° |
| CAL | CAN | CAO | H9 | 119.8° | 120.0° |
| CAL | CAN | CAO | CAP | 23.7° | 180.0° |
| CAL | CAN | CAO | H6 | 97.3° | 60.0° |
| CAL | CAN | CAO | H7 | 144.8° | 60.0° |
| CAL | CAN | H8 | H9 | 120.6° | 120.0° |
| NAM | CAS | H16 | H17 | 122.3° | 120.0° |
| CAN | CAO | CAP | H6 | 121.0° | 120.0° |
| CAN | CAO | CAP | H7 | 121.0° | 120.0° |
| CAN | CAO | CAP | CAQ | 165.4° | 180.0° |
| CAN | CAO | CAP | H4 | 45.0° | 60.0° |
| CAN | CAO | CAP | H5 | 74.2° | 60.0° |
| CAN | CAO | H6 | H7 | 116.8° | 120.0° |
| CAO | CAN | H8 | H9 | 120.6° | 120.0° |
| CAO | CAP | CAQ | H4 | 120.4° | 120.0° |
| CAO | CAP | CAQ | H5 | 120.4° | 120.0° |
| CAO | CAP | CAQ | H1 | 180.0° | 60.0° |
| CAO | CAP | CAQ | H2 | 60.0° | 60.0° |
| CAO | CAP | CAQ | H3 | 60.0° | 180.0° |
| CAO | CAP | H4 | H5 | 118.8° | 120.0° |
| CAP | CAO | H6 | H7 | 116.8° | 120.0° |
| CAP | CAO | CAN | H8 | 143.5° | 60.0° |
| CAP | CAO | CAN | H9 | 96.1° | 60.0° |
| CAP | CAQ | H1 | H2 | 120.0° | 120.0° |
| CAP | CAQ | H1 | H3 | 120.0° | 120.0° |
| CAP | CAQ | H2 | H3 | 120.0° | 120.0° |
| CAQ | CAP | H4 | H5 | 118.7° | 120.0° |
| CAQ | CAP | CAO | H6 | 73.6° | 60.0° |
| CAQ | CAP | CAO | H7 | 44.4° | 60.0° |
| H1 | CAQ | H2 | H3 | 120.0° | 120.0° |
| H1 | CAQ | CAP | H4 | 59.6° | 60.0° |
| H1 | CAQ | CAP | H5 | 59.6° | 180.0° |
| H2 | CAQ | CAP | H4 | 179.6° | 180.0° |
| H2 | CAQ | CAP | H5 | 60.4° | 60.0° |
| H3 | CAQ | CAP | H4 | 60.4° | 60.0° |
| H3 | CAQ | CAP | H5 | 179.6° | 60.0° |
| H4 | CAP | CAO | H6 | 166.0° | 180.0° |
| H4 | CAP | CAO | H7 | 76.0° | 60.0° |
| H5 | CAP | CAO | H6 | 46.8° | 60.0° |
| H5 | CAP | CAO | H7 | 164.8° | 180.0° |
| H6 | CAO | CAN | H8 | 22.5° | 180.0° |
| H6 | CAO | CAN | H9 | 142.9° | 60.0° |
| H7 | CAO | CAN | H8 | 95.4° | 60.0° |
| H7 | CAO | CAN | H9 | 25.0° | 180.0° |
| H12 | CAC | CAE | H13 | 1.3° | 0.0° |
| H13 | CAE | CAF | H14 | 0.7° | 0.1° |
| H14 | CAF | CAD | H15 | 1.2° | 0.0° |
| H19 | CAV | CAX | H20 | 0.2° | 0.0° |
| H20 | CAX | CAY | H21 | 0.5° | 0.0° |
| H22 | CAZ | NBA | H24 | 59.7° | 64.0° |
| H22 | CAZ | NBA | H25 | 60.3° | 60.0° |
| H23 | CAZ | NBA | H24 | 59.7° | 176.0° |
| H23 | CAZ | NBA | H25 | 179.7° | 60.0° |
