M4Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAP | doub | 1.22Å | 1.40Å | |
| CAP | NAK | sing | 1.33Å | 1.31Å | |
| CAP | NAJ | sing | 1.34Å | 1.32Å | |
| NAK | CAO | sing | 1.35Å | 1.33Å | |
| NAJ | CAN | doub | 1.30Å | 1.31Å | |
| CAO | OAB | doub | 1.21Å | 1.38Å | |
| CAO | CAG | sing | 1.52Å | 1.37Å | |
| CAN | CAG | sing | 1.52Å | 1.39Å | |
| CAN | CAI | sing | 1.51Å | 1.55Å | |
| CAA | NAQ | sing | 1.47Å | 1.49Å | |
| CAF | SAL | sing | 1.76Å | 1.71Å | Aromatic |
| CAF | CAM | doub | 1.33Å | 1.41Å | Aromatic |
| NAQ | CAI | sing | 1.47Å | 1.45Å | |
| NAQ | CAH | sing | 1.47Å | 1.50Å | |
| SAL | CAD | sing | 1.76Å | 1.69Å | Aromatic |
| CAH | CAM | sing | 1.51Å | 1.56Å | |
| CAM | CAE | sing | 1.38Å | 1.45Å | Aromatic |
| CAD | CAE | doub | 1.33Å | 1.43Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.09Å | 1.10Å | |
| CAH | H10 | sing | 1.09Å | 1.10Å | |
| CAI | H11 | sing | 1.09Å | 1.10Å | |
| CAI | H12 | sing | 1.09Å | 1.10Å | |
| NAK | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAP | NAK | 118.6° | 117.6° |
| OAC | CAP | NAJ | 118.3° | 117.6° |
| NAK | CAP | NAJ | 123.1° | 124.8° |
| CAP | NAK | CAO | 119.1° | 121.4° |
| CAP | NAK | H13 | 120.5° | 119.4° |
| CAP | NAJ | CAN | 119.5° | 122.8° |
| NAK | CAO | OAB | 118.0° | 121.5° |
| NAK | CAO | CAG | 121.1° | 117.0° |
| CAO | NAK | H13 | 120.5° | 119.2° |
| NAJ | CAN | CAG | 120.6° | 118.0° |
| NAJ | CAN | CAI | 118.1° | 121.0° |
| OAB | CAO | CAG | 120.9° | 121.5° |
| CAO | CAG | CAN | 116.6° | 116.0° |
| CAO | CAG | H7 | 107.7° | 108.1° |
| CAO | CAG | H8 | 107.7° | 108.1° |
| CAG | CAN | CAI | 121.3° | 121.0° |
| CAN | CAG | H7 | 107.7° | 108.2° |
| CAN | CAG | H8 | 107.7° | 108.1° |
| CAN | CAI | NAQ | 107.0° | 109.5° |
| CAN | CAI | H11 | 110.1° | 109.5° |
| CAN | CAI | H12 | 110.1° | 109.5° |
| CAA | NAQ | CAI | 109.7° | 111.0° |
| CAA | NAQ | CAH | 110.1° | 111.0° |
| NAQ | CAA | H1 | 109.5° | 109.5° |
| NAQ | CAA | H2 | 109.5° | 109.5° |
| NAQ | CAA | H3 | 109.5° | 109.5° |
| SAL | CAF | CAM | 105.6° | 109.6° |
| CAF | SAL | CAD | 101.0° | 91.0° |
| SAL | CAF | H6 | 127.2° | 125.1° |
| CAF | CAM | CAH | 121.0° | 122.5° |
| CAF | CAM | CAE | 113.9° | 114.9° |
| CAM | CAF | H6 | 127.2° | 125.3° |
| CAI | NAQ | CAH | 109.3° | 111.0° |
| NAQ | CAI | H11 | 110.1° | 109.5° |
| NAQ | CAI | H12 | 110.1° | 109.5° |
| NAQ | CAH | CAM | 107.0° | 109.5° |
| NAQ | CAH | H9 | 110.1° | 109.5° |
| NAQ | CAH | H10 | 110.1° | 109.4° |
| SAL | CAD | CAE | 104.6° | 109.6° |
| SAL | CAD | H4 | 127.7° | 125.2° |
| CAH | CAM | CAE | 125.0° | 122.5° |
| CAM | CAH | H9 | 110.1° | 109.5° |
| CAM | CAH | H10 | 110.1° | 109.5° |
| CAM | CAE | CAD | 115.0° | 114.9° |
| CAM | CAE | H5 | 122.5° | 122.5° |
| CAE | CAD | H4 | 127.7° | 125.1° |
| CAD | CAE | H5 | 122.5° | 122.6° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H7 | CAG | H8 | 109.5° | 108.0° |
| H9 | CAH | H10 | 109.5° | 109.5° |
| H11 | CAI | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAP | NAK | NAJ | 178.9° | 179.9° |
| OAC | CAP | NAK | CAO | 179.8° | 180.0° |
| OAC | CAP | NAJ | CAN | 177.6° | 180.0° |
| OAC | CAP | NAK | H13 | 0.2° | 0.1° |
| CAP | NAK | CAO | H13 | 180.0° | 180.0° |
| NAK | CAP | NAJ | CAN | 3.5° | 0.1° |
| CAP | NAK | CAO | OAB | 179.4° | 180.0° |
| CAP | NAK | CAO | CAG | 0.3° | 0.1° |
| NAJ | CAP | NAK | CAO | 1.3° | 0.0° |
| CAP | NAJ | CAN | CAG | 4.0° | 0.0° |
| CAP | NAJ | CAN | CAI | 179.0° | 180.0° |
| NAJ | CAP | NAK | H13 | 178.7° | 180.0° |
| NAK | CAO | OAB | CAG | 179.1° | 179.9° |
| NAK | CAO | CAG | CAN | 0.3° | 0.1° |
| NAK | CAO | CAG | H7 | 121.3° | 121.8° |
| NAK | CAO | CAG | H8 | 120.7° | 121.4° |
| NAJ | CAN | CAG | CAO | 2.5° | 0.1° |
| NAJ | CAN | CAG | CAI | 176.9° | 180.0° |
| NAJ | CAN | CAI | NAQ | 36.3° | 0.0° |
| NAJ | CAN | CAG | H7 | 123.5° | 121.7° |
| NAJ | CAN | CAG | H8 | 118.6° | 121.5° |
| NAJ | CAN | CAI | H11 | 83.3° | 120.0° |
| NAJ | CAN | CAI | H12 | 155.9° | 120.0° |
| OAB | CAO | CAG | CAN | 178.8° | 179.9° |
| OAB | CAO | CAG | H7 | 57.8° | 58.3° |
| OAB | CAO | CAG | H8 | 60.2° | 58.5° |
| OAB | CAO | NAK | H13 | 0.6° | 0.0° |
| CAO | CAG | CAN | H7 | 121.1° | 121.6° |
| CAO | CAG | CAN | H8 | 121.0° | 121.6° |
| CAO | CAG | CAN | CAI | 179.4° | 179.9° |
| CAO | CAG | H7 | H8 | 116.8° | 116.8° |
| CAG | CAO | NAK | H13 | 179.7° | 179.9° |
| CAG | CAN | CAI | NAQ | 140.7° | 180.0° |
| CAN | CAG | H7 | H8 | 116.8° | 116.8° |
| CAG | CAN | CAI | H11 | 99.7° | 60.0° |
| CAG | CAN | CAI | H12 | 21.1° | 60.0° |
| CAN | CAI | NAQ | CAA | 140.0° | 66.0° |
| CAN | CAI | NAQ | H11 | 119.6° | 120.0° |
| CAN | CAI | NAQ | H12 | 119.6° | 120.0° |
| CAN | CAI | NAQ | CAH | 99.1° | 170.0° |
| CAI | CAN | CAG | H7 | 59.6° | 58.2° |
| CAI | CAN | CAG | H8 | 58.3° | 58.5° |
| CAN | CAI | H11 | H12 | 121.1° | 120.0° |
| CAA | NAQ | CAI | CAH | 120.9° | 123.9° |
| CAA | NAQ | CAH | CAM | 178.2° | 66.0° |
| NAQ | CAA | H1 | H2 | 120.0° | 120.1° |
| NAQ | CAA | H1 | H3 | 120.0° | 120.0° |
| NAQ | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | NAQ | CAH | H9 | 58.5° | 174.0° |
| CAA | NAQ | CAH | H10 | 62.2° | 54.0° |
| CAA | NAQ | CAI | H11 | 20.3° | 54.0° |
| CAA | NAQ | CAI | H12 | 100.4° | 173.9° |
| SAL | CAF | CAM | H6 | 180.0° | 179.7° |
| SAL | CAF | CAM | CAH | 179.0° | 180.0° |
| SAL | CAF | CAM | CAE | 1.2° | 0.2° |
| CAF | SAL | CAD | CAE | 0.4° | 0.3° |
| CAF | SAL | CAD | H4 | 179.6° | 179.9° |
| CAF | CAM | CAH | NAQ | 67.1° | 90.0° |
| CAM | CAF | SAL | CAD | 1.0° | 0.3° |
| CAF | CAM | CAH | CAE | 177.5° | 179.8° |
| CAF | CAM | CAE | CAD | 1.0° | 0.0° |
| CAF | CAM | CAE | H5 | 179.0° | 180.0° |
| CAF | CAM | CAH | H9 | 52.5° | 150.0° |
| CAF | CAM | CAH | H10 | 173.3° | 30.0° |
| CAI | NAQ | CAH | CAM | 61.2° | 170.0° |
| CAI | NAQ | CAA | H1 | 180.0° | 60.0° |
| CAI | NAQ | CAA | H2 | 60.0° | 180.0° |
| CAI | NAQ | CAA | H3 | 60.0° | 60.0° |
| CAI | NAQ | CAH | H9 | 179.2° | 50.0° |
| CAI | NAQ | CAH | H10 | 58.4° | 70.0° |
| NAQ | CAI | H11 | H12 | 121.1° | 120.0° |
| NAQ | CAH | CAM | H9 | 119.6° | 120.0° |
| NAQ | CAH | CAM | H10 | 119.6° | 120.0° |
| NAQ | CAH | CAM | CAE | 110.5° | 89.8° |
| CAH | NAQ | CAA | H1 | 59.6° | 64.0° |
| CAH | NAQ | CAA | H2 | 179.6° | 56.1° |
| CAH | NAQ | CAA | H3 | 60.4° | 176.0° |
| NAQ | CAH | H9 | H10 | 121.1° | 120.0° |
| CAH | NAQ | CAI | H11 | 141.2° | 70.0° |
| CAH | NAQ | CAI | H12 | 20.5° | 50.0° |
| SAL | CAD | CAE | CAM | 0.3° | 0.3° |
| SAL | CAD | CAE | H4 | 180.0° | 179.7° |
| SAL | CAD | CAE | H5 | 179.8° | 179.7° |
| CAD | SAL | CAF | H6 | 179.1° | 180.0° |
| CAH | CAM | CAE | CAD | 178.7° | 179.8° |
| CAH | CAM | CAE | H5 | 1.3° | 0.2° |
| CAH | CAM | CAF | H6 | 1.0° | 0.3° |
| CAM | CAH | H9 | H10 | 121.1° | 120.0° |
| CAM | CAE | CAD | H5 | 180.0° | 180.0° |
| CAM | CAE | CAD | H4 | 179.7° | 180.0° |
| CAE | CAM | CAF | H6 | 178.8° | 180.0° |
| CAE | CAM | CAH | H9 | 129.9° | 30.3° |
| CAE | CAM | CAH | H10 | 9.1° | 150.3° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H4 | CAD | CAE | H5 | 0.2° | 0.0° |
