OPX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAG | sing | 1.53Å | 1.50Å | |
| CAF | CAH | sing | 1.53Å | 1.49Å | |
| CAG | CAI | sing | 1.53Å | 1.50Å | |
| CAI | CAQ | sing | 1.53Å | 1.50Å | |
| CAH | CAJ | sing | 1.53Å | 1.50Å | |
| CAJ | CAQ | sing | 1.53Å | 1.51Å | |
| CAQ | NAN | sing | 1.47Å | 1.47Å | |
| NAN | CAK | sing | 1.47Å | 1.47Å | |
| OAA | SAS | doub | 1.42Å | 1.48Å | |
| CAL | CAR | sing | 1.54Å | 1.50Å | |
| CAL | CAO | sing | 1.54Å | 1.49Å | |
| OAC | CAO | sing | 1.43Å | 1.38Å | |
| CAK | CAR | sing | 1.53Å | 1.56Å | |
| CAR | SAS | sing | 1.81Å | 1.79Å | |
| CAR | CAM | sing | 1.54Å | 1.52Å | |
| CAO | CAP | sing | 1.55Å | 1.47Å | |
| SAS | OAB | doub | 1.42Å | 1.47Å | |
| SAS | OAE | sing | 1.52Å | 1.47Å | |
| OAD | CAP | sing | 1.43Å | 1.37Å | |
| CAP | CAM | sing | 1.55Å | 1.52Å | |
| CAF | H1 | sing | 1.09Å | 1.10Å | |
| CAF | H2 | sing | 1.09Å | 1.10Å | |
| CAG | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CAM | H15 | sing | 1.09Å | 1.10Å | |
| CAM | H16 | sing | 1.09Å | 1.10Å | |
| CAO | H17 | sing | 1.09Å | 1.10Å | |
| CAP | H18 | sing | 1.09Å | 1.10Å | |
| CAQ | H19 | sing | 1.09Å | 1.10Å | |
| NAN | H20 | sing | 1.01Å | 1.00Å | |
| OAC | H22 | sing | 0.97Å | 0.95Å | |
| OAD | H23 | sing | 0.97Å | 0.95Å | |
| OAE | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAF | CAH | 110.3° | 109.5° |
| CAF | CAG | CAI | 110.9° | 109.5° |
| CAG | CAF | H1 | 109.3° | 109.5° |
| CAG | CAF | H2 | 109.3° | 109.5° |
| CAF | CAG | H3 | 109.1° | 109.5° |
| CAF | CAG | H4 | 109.1° | 109.5° |
| CAF | CAH | CAJ | 112.4° | 109.5° |
| CAH | CAF | H1 | 109.2° | 109.4° |
| CAH | CAF | H2 | 109.2° | 109.4° |
| CAF | CAH | H5 | 108.7° | 109.5° |
| CAF | CAH | H6 | 108.7° | 109.5° |
| CAG | CAI | CAQ | 111.5° | 109.4° |
| CAI | CAG | H3 | 109.1° | 109.5° |
| CAI | CAG | H4 | 109.1° | 109.4° |
| CAG | CAI | H7 | 109.0° | 109.4° |
| CAG | CAI | H8 | 109.0° | 109.5° |
| CAI | CAQ | CAJ | 111.2° | 109.5° |
| CAI | CAQ | NAN | 107.6° | 109.5° |
| CAQ | CAI | H7 | 109.0° | 109.5° |
| CAQ | CAI | H8 | 109.0° | 109.5° |
| CAI | CAQ | H19 | 108.9° | 109.5° |
| CAH | CAJ | CAQ | 110.9° | 109.5° |
| CAJ | CAH | H5 | 108.8° | 109.5° |
| CAJ | CAH | H6 | 108.7° | 109.5° |
| CAH | CAJ | H9 | 109.1° | 109.5° |
| CAH | CAJ | H10 | 109.1° | 109.5° |
| CAJ | CAQ | NAN | 111.0° | 109.5° |
| CAQ | CAJ | H9 | 109.1° | 109.5° |
| CAQ | CAJ | H10 | 109.1° | 109.5° |
| CAJ | CAQ | H19 | 108.8° | 109.4° |
| CAQ | NAN | CAK | 110.6° | 111.0° |
| NAN | CAQ | H19 | 109.3° | 109.5° |
| CAQ | NAN | H20 | 109.2° | 111.0° |
| NAN | CAK | CAR | 119.5° | 109.5° |
| NAN | CAK | H11 | 106.9° | 109.4° |
| NAN | CAK | H12 | 106.9° | 109.5° |
| CAK | NAN | H20 | 109.2° | 111.0° |
| OAA | SAS | CAR | 108.0° | 110.5° |
| OAA | SAS | OAB | 110.7° | 121.0° |
| OAA | SAS | OAE | 111.4° | 104.3° |
| CAR | CAL | CAO | 106.5° | 106.6° |
| CAL | CAR | CAK | 113.5° | 110.1° |
| CAL | CAR | SAS | 108.3° | 110.0° |
| CAL | CAR | CAM | 105.0° | 106.6° |
| CAR | CAL | H13 | 110.2° | 110.0° |
| CAR | CAL | H14 | 110.2° | 110.1° |
| CAL | CAO | OAC | 111.7° | 110.5° |
| CAL | CAO | CAP | 104.6° | 104.2° |
| CAO | CAL | H13 | 110.2° | 110.0° |
| CAO | CAL | H14 | 110.2° | 110.1° |
| CAL | CAO | H17 | 108.8° | 110.5° |
| OAC | CAO | CAP | 112.3° | 110.5° |
| OAC | CAO | H17 | 110.2° | 110.5° |
| CAO | OAC | H22 | 109.5° | 114.0° |
| CAK | CAR | SAS | 109.2° | 110.0° |
| CAK | CAR | CAM | 110.7° | 110.1° |
| CAR | CAK | H11 | 106.9° | 109.5° |
| CAR | CAK | H12 | 106.9° | 109.5° |
| SAS | CAR | CAM | 110.0° | 110.1° |
| CAR | SAS | OAB | 108.5° | 110.5° |
| CAR | SAS | OAE | 108.6° | 104.4° |
| CAR | CAM | CAP | 105.4° | 104.2° |
| CAR | CAM | H15 | 110.5° | 110.5° |
| CAR | CAM | H16 | 110.5° | 110.6° |
| CAO | CAP | OAD | 112.9° | 110.7° |
| CAO | CAP | CAM | 102.8° | 102.7° |
| CAP | CAO | H17 | 109.0° | 110.4° |
| CAO | CAP | H18 | 110.4° | 110.7° |
| OAB | SAS | OAE | 109.5° | 104.3° |
| SAS | OAE | H21 | 109.5° | 113.9° |
| OAD | CAP | CAM | 108.8° | 110.8° |
| OAD | CAP | H18 | 111.9° | 110.8° |
| CAP | OAD | H23 | 109.5° | 114.0° |
| CAP | CAM | H15 | 110.5° | 110.5° |
| CAP | CAM | H16 | 110.5° | 110.4° |
| CAM | CAP | H18 | 109.6° | 110.8° |
| H1 | CAF | H2 | 109.5° | 109.5° |
| H3 | CAG | H4 | 109.4° | 109.5° |
| H5 | CAH | H6 | 109.5° | 109.5° |
| H7 | CAI | H8 | 109.5° | 109.5° |
| H9 | CAJ | H10 | 109.5° | 109.4° |
| H11 | CAK | H12 | 109.4° | 109.5° |
| H13 | CAL | H14 | 109.4° | 110.0° |
| H15 | CAM | H16 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAF | CAH | H1 | 120.1° | 120.1° |
| CAG | CAF | CAH | H2 | 120.1° | 120.0° |
| CAF | CAG | CAI | H3 | 120.2° | 120.1° |
| CAF | CAG | CAI | H4 | 120.2° | 119.9° |
| CAF | CAG | CAI | CAQ | 56.9° | 60.1° |
| CAG | CAF | CAH | CAJ | 55.9° | 60.0° |
| CAG | CAF | H1 | H2 | 119.6° | 120.0° |
| CAF | CAG | H3 | H4 | 119.3° | 120.0° |
| CAG | CAF | CAH | H5 | 176.4° | 180.0° |
| CAG | CAF | CAH | H6 | 64.5° | 60.0° |
| CAF | CAG | CAI | H7 | 177.2° | 180.0° |
| CAF | CAG | CAI | H8 | 63.4° | 60.0° |
| CAH | CAF | CAG | CAI | 56.4° | 60.1° |
| CAF | CAH | CAJ | H5 | 120.4° | 120.0° |
| CAF | CAH | CAJ | H6 | 120.4° | 120.0° |
| CAF | CAH | CAJ | CAQ | 54.6° | 60.0° |
| CAH | CAF | H1 | H2 | 119.6° | 119.9° |
| CAH | CAF | CAG | H3 | 63.8° | 60.0° |
| CAH | CAF | CAG | H4 | 176.7° | 180.0° |
| CAF | CAH | H5 | H6 | 118.7° | 120.0° |
| CAF | CAH | CAJ | H9 | 65.6° | 60.0° |
| CAF | CAH | CAJ | H10 | 174.8° | 180.0° |
| CAG | CAI | CAQ | H7 | 120.3° | 119.9° |
| CAG | CAI | CAQ | H8 | 120.3° | 120.0° |
| CAG | CAI | CAQ | CAJ | 55.4° | 60.0° |
| CAG | CAI | CAQ | NAN | 177.2° | 180.0° |
| CAI | CAG | CAF | H1 | 63.7° | 59.9° |
| CAI | CAG | CAF | H2 | 176.6° | 180.0° |
| CAI | CAG | H3 | H4 | 119.4° | 120.0° |
| CAG | CAI | H7 | H8 | 119.1° | 120.0° |
| CAG | CAI | CAQ | H19 | 64.4° | 60.0° |
| CAI | CAQ | CAJ | CAH | 53.8° | 60.0° |
| CAI | CAQ | CAJ | NAN | 119.7° | 120.0° |
| CAI | CAQ | CAJ | H19 | 120.0° | 120.0° |
| CAI | CAQ | NAN | H19 | 118.1° | 120.0° |
| CAI | CAQ | NAN | CAK | 165.9° | 155.0° |
| CAQ | CAI | CAG | H3 | 63.3° | 60.0° |
| CAQ | CAI | CAG | H4 | 177.1° | 180.0° |
| CAQ | CAI | H7 | H8 | 119.1° | 120.0° |
| CAI | CAQ | CAJ | H9 | 66.5° | 60.0° |
| CAI | CAQ | CAJ | H10 | 174.0° | 180.0° |
| CAI | CAQ | NAN | H20 | 45.7° | 31.0° |
| CAH | CAJ | CAQ | H9 | 120.2° | 120.0° |
| CAH | CAJ | CAQ | H10 | 120.2° | 120.1° |
| CAH | CAJ | CAQ | NAN | 173.5° | 180.0° |
| CAJ | CAH | CAF | H1 | 64.2° | 60.0° |
| CAJ | CAH | CAF | H2 | 176.1° | 180.0° |
| CAJ | CAH | H5 | H6 | 118.7° | 120.0° |
| CAH | CAJ | H9 | H10 | 119.4° | 120.0° |
| CAH | CAJ | CAQ | H19 | 66.2° | 60.0° |
| CAJ | CAQ | NAN | H19 | 120.0° | 120.0° |
| CAJ | CAQ | NAN | CAK | 72.2° | 85.0° |
| CAQ | CAJ | CAH | H5 | 175.1° | 180.0° |
| CAQ | CAJ | CAH | H6 | 65.8° | 60.0° |
| CAJ | CAQ | CAI | H7 | 175.8° | 179.9° |
| CAJ | CAQ | CAI | H8 | 64.9° | 60.0° |
| CAQ | CAJ | H9 | H10 | 119.3° | 120.0° |
| CAJ | CAQ | NAN | H20 | 167.6° | 151.1° |
| CAQ | NAN | CAK | H20 | 120.2° | 124.0° |
| CAQ | NAN | CAK | CAR | 168.6° | 180.0° |
| NAN | CAQ | CAI | H7 | 62.5° | 60.0° |
| NAN | CAQ | CAI | H8 | 56.9° | 60.0° |
| NAN | CAQ | CAJ | H9 | 53.3° | 60.0° |
| NAN | CAQ | CAJ | H10 | 66.3° | 60.0° |
| CAQ | NAN | CAK | H11 | 47.2° | 60.0° |
| CAQ | NAN | CAK | H12 | 70.0° | 60.0° |
| NAN | CAK | CAR | CAL | 63.5° | 180.0° |
| NAN | CAK | CAR | H11 | 121.4° | 120.0° |
| NAN | CAK | CAR | H12 | 121.4° | 120.0° |
| NAN | CAK | CAR | SAS | 57.4° | 58.6° |
| NAN | CAK | CAR | CAM | 178.7° | 62.8° |
| NAN | CAK | H11 | H12 | 115.4° | 120.0° |
| CAK | NAN | CAQ | H19 | 47.8° | 35.0° |
| OAA | SAS | CAR | CAL | 66.9° | 69.1° |
| OAA | SAS | CAR | CAK | 57.1° | 52.3° |
| OAA | SAS | CAR | OAB | 120.1° | 136.8° |
| OAA | SAS | CAR | OAE | 121.0° | 111.6° |
| OAA | SAS | CAR | CAM | 178.9° | 173.8° |
| OAA | SAS | OAB | OAE | 123.3° | 116.8° |
| OAA | SAS | OAE | H21 | 122.9° | 63.9° |
| CAR | CAL | CAO | H13 | 119.5° | 119.2° |
| CAR | CAL | CAO | H14 | 119.5° | 119.4° |
| CAR | CAL | CAO | OAC | 154.4° | 142.3° |
| CAL | CAR | CAK | SAS | 120.9° | 121.4° |
| CAL | CAR | CAK | CAM | 117.8° | 117.2° |
| CAL | CAR | SAS | CAM | 114.3° | 117.1° |
| CAR | CAL | CAO | CAP | 32.6° | 23.5° |
| CAL | CAR | SAS | OAB | 53.2° | 67.7° |
| CAL | CAR | SAS | OAE | 172.1° | 179.3° |
| CAL | CAR | CAM | CAP | 12.9° | 23.7° |
| CAL | CAR | CAK | H11 | 57.9° | 60.0° |
| CAL | CAR | CAK | H12 | 175.1° | 60.0° |
| CAR | CAL | H13 | H14 | 121.3° | 121.4° |
| CAL | CAR | CAM | H15 | 132.2° | 95.0° |
| CAL | CAR | CAM | H16 | 106.5° | 142.4° |
| CAR | CAL | CAO | H17 | 83.8° | 95.1° |
| CAL | CAO | OAC | CAP | 117.2° | 114.8° |
| CAL | CAO | OAC | H17 | 121.0° | 122.6° |
| CAO | CAL | CAR | CAK | 132.6° | 119.2° |
| CAO | CAL | CAR | SAS | 106.0° | 119.4° |
| CAO | CAL | CAR | CAM | 11.5° | 0.1° |
| CAL | CAO | CAP | H17 | 116.2° | 118.6° |
| CAL | CAO | CAP | OAD | 77.1° | 80.4° |
| CAL | CAO | CAP | CAM | 39.9° | 37.9° |
| CAO | CAL | H13 | H14 | 121.4° | 121.4° |
| CAL | CAO | CAP | H18 | 156.8° | 156.2° |
| CAL | CAO | OAC | H22 | 180.0° | 180.0° |
| OAC | CAO | CAP | H17 | 122.4° | 122.6° |
| OAC | CAO | CAP | OAD | 44.2° | 38.3° |
| OAC | CAO | CAP | CAM | 161.3° | 156.6° |
| OAC | CAO | CAL | H13 | 86.1° | 23.0° |
| OAC | CAO | CAL | H14 | 34.8° | 98.4° |
| OAC | CAO | CAP | H18 | 81.8° | 85.0° |
| CAK | CAR | SAS | CAM | 121.7° | 121.5° |
| CAK | CAR | SAS | OAB | 177.2° | 170.9° |
| CAK | CAR | SAS | OAE | 63.8° | 59.3° |
| CAK | CAR | CAM | CAP | 110.0° | 95.6° |
| CAR | CAK | H11 | H12 | 115.4° | 120.0° |
| CAK | CAR | CAL | H13 | 107.8° | 0.0° |
| CAK | CAR | CAL | H14 | 13.1° | 121.4° |
| CAK | CAR | CAM | H15 | 9.4° | 145.6° |
| CAK | CAR | CAM | H16 | 130.6° | 23.0° |
| CAR | CAK | NAN | H20 | 71.2° | 56.0° |
| CAR | SAS | OAB | OAE | 118.4° | 111.7° |
| SAS | CAR | CAM | CAP | 129.2° | 142.9° |
| SAS | CAR | CAK | H11 | 178.9° | 178.6° |
| SAS | CAR | CAK | H12 | 64.0° | 61.4° |
| SAS | CAR | CAL | H13 | 13.6° | 121.4° |
| SAS | CAR | CAL | H14 | 134.5° | 0.0° |
| SAS | CAR | CAM | H15 | 111.4° | 24.2° |
| SAS | CAR | CAM | H16 | 9.9° | 98.4° |
| CAR | SAS | OAE | H21 | 118.3° | 180.0° |
| CAR | CAM | CAP | CAO | 32.6° | 38.0° |
| CAM | CAR | SAS | OAB | 61.1° | 49.5° |
| CAM | CAR | SAS | OAE | 57.9° | 62.2° |
| CAR | CAM | CAP | OAD | 87.3° | 80.3° |
| CAR | CAM | CAP | H15 | 119.3° | 118.8° |
| CAR | CAM | CAP | H16 | 119.4° | 118.8° |
| CAM | CAR | CAK | H11 | 59.9° | 57.2° |
| CAM | CAR | CAK | H12 | 57.2° | 177.2° |
| CAM | CAR | CAL | H13 | 131.1° | 119.3° |
| CAM | CAR | CAL | H14 | 108.0° | 119.3° |
| CAR | CAM | H15 | H16 | 121.9° | 122.7° |
| CAR | CAM | CAP | H18 | 150.0° | 156.3° |
| CAO | CAP | OAD | CAM | 113.4° | 113.3° |
| CAO | CAP | OAD | H18 | 125.3° | 123.3° |
| CAO | CAP | CAM | H18 | 117.4° | 118.3° |
| CAP | CAO | CAL | H13 | 152.2° | 95.7° |
| CAP | CAO | CAL | H14 | 86.9° | 142.9° |
| CAO | CAP | CAM | H15 | 152.0° | 80.8° |
| CAO | CAP | CAM | H16 | 86.8° | 156.7° |
| CAP | CAO | OAC | H22 | 62.8° | 65.2° |
| CAO | CAP | OAD | H23 | 180.0° | 61.5° |
| OAB | SAS | OAE | H21 | 0.0° | 63.9° |
| OAD | CAP | CAM | H18 | 122.7° | 123.4° |
| OAD | CAP | CAM | H15 | 32.0° | 160.9° |
| OAD | CAP | CAM | H16 | 153.3° | 38.4° |
| OAD | CAP | CAO | H17 | 166.7° | 160.9° |
| CAP | CAM | H15 | H16 | 121.9° | 122.5° |
| CAM | CAP | CAO | H17 | 76.3° | 80.7° |
| CAM | CAP | OAD | H23 | 66.6° | 174.8° |
| H1 | CAF | CAG | H3 | 176.1° | 180.0° |
| H1 | CAF | CAG | H4 | 56.5° | 60.0° |
| H1 | CAF | CAH | H5 | 56.2° | 60.0° |
| H1 | CAF | CAH | H6 | 175.3° | 180.0° |
| H2 | CAF | CAG | H3 | 56.3° | 60.0° |
| H2 | CAF | CAG | H4 | 63.2° | 60.1° |
| H2 | CAF | CAH | H5 | 63.5° | 60.0° |
| H2 | CAF | CAH | H6 | 55.6° | 60.0° |
| H3 | CAG | CAI | H7 | 57.0° | 59.9° |
| H3 | CAG | CAI | H8 | 176.4° | 180.0° |
| H4 | CAG | CAI | H7 | 62.5° | 60.0° |
| H4 | CAG | CAI | H8 | 56.8° | 60.0° |
| H5 | CAH | CAJ | H9 | 54.9° | 60.0° |
| H5 | CAH | CAJ | H10 | 64.7° | 59.9° |
| H6 | CAH | CAJ | H9 | 174.0° | 180.0° |
| H6 | CAH | CAJ | H10 | 54.4° | 60.0° |
| H7 | CAI | CAQ | H19 | 55.9° | 60.0° |
| H8 | CAI | CAQ | H19 | 175.3° | 180.0° |
| H9 | CAJ | CAQ | H19 | 173.6° | 180.0° |
| H10 | CAJ | CAQ | H19 | 54.0° | 60.0° |
| H11 | CAK | NAN | H20 | 167.3° | 64.0° |
| H12 | CAK | NAN | H20 | 50.2° | 176.0° |
| H13 | CAL | CAO | H17 | 35.8° | 145.7° |
| H14 | CAL | CAO | H17 | 156.7° | 24.3° |
| H15 | CAM | CAP | H18 | 90.7° | 37.5° |
| H16 | CAM | CAP | H18 | 30.6° | 85.0° |
| H17 | CAO | CAP | H18 | 40.6° | 37.6° |
| H17 | CAO | OAC | H22 | 59.0° | 57.4° |
| H18 | CAP | OAD | H23 | 54.8° | 61.8° |
| H19 | CAQ | NAN | H20 | 72.4° | 89.0° |
