PQV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAD | sing | 1.54Å | 1.52Å | |
| CAE | CAG | sing | 1.51Å | 1.52Å | |
| CAD | CAF | sing | 1.54Å | 1.52Å | |
| CAG | CAJ | sing | 1.55Å | 1.52Å | |
| CAF | CAI | sing | 1.51Å | 1.53Å | |
| OAA | CAN | doub | 1.22Å | 1.23Å | |
| CAJ | NAO | sing | 1.40Å | 1.47Å | |
| CAI | NAO | sing | 1.48Å | 1.47Å | |
| NAO | CAK | sing | 1.47Å | 1.47Å | |
| CAN | CAC | sing | 1.48Å | 1.53Å | |
| CAN | NAM | sing | 1.35Å | 1.34Å | |
| CAK | CAH | sing | 1.53Å | 1.53Å | |
| CAH | NAM | sing | 1.47Å | 1.47Å | |
| CAC | NAL | doub | 1.29Å | 1.34Å | |
| NAL | OAB | sing | 1.42Å | 1.46Å | |
| CAI | H1 | sing | 1.09Å | 1.10Å | |
| CAI | H2 | sing | 1.09Å | 1.10Å | |
| CAF | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.09Å | 1.10Å | |
| CAD | H6 | sing | 1.09Å | 1.10Å | |
| CAE | H7 | sing | 1.09Å | 1.10Å | |
| CAE | H8 | sing | 1.09Å | 1.10Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H11 | sing | 1.09Å | 1.10Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| CAH | H16 | sing | 1.09Å | 1.10Å | |
| CAH | H17 | sing | 1.09Å | 1.10Å | |
| NAM | H18 | sing | 0.97Å | 1.00Å | |
| CAC | H19 | sing | 1.08Å | 1.08Å | |
| OAB | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAE | CAG | 109.6° | 112.6° |
| CAE | CAD | CAF | 109.3° | 112.0° |
| CAE | CAD | H5 | 109.5° | 109.0° |
| CAE | CAD | H6 | 109.5° | 108.9° |
| CAD | CAE | H7 | 109.4° | 108.8° |
| CAD | CAE | H8 | 109.4° | 108.9° |
| CAE | CAG | CAJ | 109.7° | 109.0° |
| CAG | CAE | H7 | 109.4° | 108.9° |
| CAG | CAE | H8 | 109.4° | 108.8° |
| CAE | CAG | H9 | 109.4° | 109.5° |
| CAE | CAG | H10 | 109.4° | 109.6° |
| CAD | CAF | CAI | 110.5° | 111.7° |
| CAD | CAF | H3 | 109.2° | 109.0° |
| CAD | CAF | H4 | 109.2° | 108.9° |
| CAF | CAD | H5 | 109.5° | 109.0° |
| CAF | CAD | H6 | 109.5° | 109.0° |
| CAG | CAJ | NAO | 110.8° | 111.7° |
| CAJ | CAG | H9 | 109.4° | 109.5° |
| CAJ | CAG | H10 | 109.4° | 109.5° |
| CAG | CAJ | H11 | 109.1° | 109.0° |
| CAG | CAJ | H12 | 109.1° | 109.0° |
| CAF | CAI | NAO | 112.5° | 108.0° |
| CAF | CAI | H1 | 108.7° | 109.8° |
| CAF | CAI | H2 | 108.7° | 109.8° |
| CAI | CAF | H3 | 109.2° | 109.1° |
| CAI | CAF | H4 | 109.2° | 109.1° |
| OAA | CAN | CAC | 121.0° | 120.0° |
| OAA | CAN | NAM | 124.0° | 120.0° |
| CAJ | NAO | CAI | 110.4° | 114.8° |
| CAJ | NAO | CAK | 109.5° | 111.0° |
| NAO | CAJ | H11 | 109.1° | 109.0° |
| NAO | CAJ | H12 | 109.1° | 109.0° |
| CAI | NAO | CAK | 109.5° | 111.0° |
| NAO | CAI | H1 | 108.7° | 109.7° |
| NAO | CAI | H2 | 108.7° | 109.7° |
| NAO | CAK | CAH | 111.0° | 109.5° |
| NAO | CAK | H14 | 109.1° | 109.5° |
| NAO | CAK | H15 | 109.1° | 109.5° |
| CAC | CAN | NAM | 115.0° | 120.0° |
| CAN | CAC | NAL | 115.0° | 120.0° |
| CAN | CAC | H19 | 122.5° | 120.0° |
| CAN | NAM | CAH | 122.0° | 120.0° |
| CAN | NAM | H18 | 119.0° | 120.0° |
| CAK | CAH | NAM | 109.5° | 109.5° |
| CAH | CAK | H14 | 109.1° | 109.5° |
| CAH | CAK | H15 | 109.1° | 109.5° |
| CAK | CAH | H16 | 109.4° | 109.4° |
| CAK | CAH | H17 | 109.5° | 109.5° |
| NAM | CAH | H16 | 109.5° | 109.5° |
| NAM | CAH | H17 | 109.5° | 109.5° |
| CAH | NAM | H18 | 119.0° | 120.0° |
| CAC | NAL | OAB | 117.0° | 120.0° |
| NAL | CAC | H19 | 122.5° | 120.0° |
| NAL | OAB | H22 | 109.5° | 114.0° |
| H1 | CAI | H2 | 109.5° | 109.8° |
| H3 | CAF | H4 | 109.5° | 109.0° |
| H5 | CAD | H6 | 109.5° | 109.0° |
| H7 | CAE | H8 | 109.5° | 108.7° |
| H9 | CAG | H10 | 109.5° | 109.7° |
| H11 | CAJ | H12 | 109.5° | 109.0° |
| H14 | CAK | H15 | 109.4° | 109.5° |
| H16 | CAH | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAE | CAG | H7 | 120.0° | 120.8° |
| CAD | CAE | CAG | H8 | 120.0° | 120.8° |
| CAE | CAD | CAF | H5 | 120.0° | 120.6° |
| CAE | CAD | CAF | H6 | 120.0° | 120.6° |
| CAD | CAE | CAG | CAJ | 58.0° | 93.0° |
| CAE | CAD | CAF | CAI | 94.9° | 40.9° |
| CAE | CAD | CAF | H3 | 145.0° | 161.5° |
| CAE | CAD | CAF | H4 | 25.3° | 79.6° |
| CAE | CAD | H5 | H6 | 120.1° | 118.7° |
| CAD | CAE | H7 | H8 | 119.9° | 118.5° |
| CAD | CAE | CAG | H9 | 178.0° | 147.2° |
| CAD | CAE | CAG | H10 | 62.0° | 26.8° |
| CAG | CAE | CAD | CAF | 84.5° | 41.6° |
| CAE | CAG | CAJ | H9 | 120.0° | 119.8° |
| CAE | CAG | CAJ | H10 | 120.0° | 119.9° |
| CAE | CAG | CAJ | NAO | 76.1° | 77.4° |
| CAG | CAE | CAD | H5 | 35.4° | 162.2° |
| CAG | CAE | CAD | H6 | 155.5° | 79.1° |
| CAG | CAE | H7 | H8 | 120.0° | 118.4° |
| CAE | CAG | H9 | H10 | 119.9° | 120.3° |
| CAE | CAG | CAJ | H11 | 44.1° | 43.2° |
| CAE | CAG | CAJ | H12 | 163.7° | 162.0° |
| CAD | CAF | CAI | H3 | 120.1° | 120.6° |
| CAD | CAF | CAI | H4 | 120.2° | 120.5° |
| CAD | CAF | CAI | NAO | 30.6° | 95.1° |
| CAD | CAF | CAI | H1 | 89.8° | 145.3° |
| CAD | CAF | CAI | H2 | 151.1° | 24.6° |
| CAD | CAF | H3 | H4 | 119.5° | 118.8° |
| CAF | CAD | H5 | H6 | 120.0° | 118.8° |
| CAF | CAD | CAE | H7 | 35.5° | 79.2° |
| CAF | CAD | CAE | H8 | 155.4° | 162.4° |
| CAG | CAJ | NAO | H11 | 120.2° | 120.6° |
| CAG | CAJ | NAO | H12 | 120.2° | 120.6° |
| CAG | CAJ | NAO | CAI | 102.0° | 62.3° |
| CAG | CAJ | NAO | CAK | 137.4° | 170.9° |
| CAJ | CAG | CAE | H7 | 62.0° | 27.8° |
| CAJ | CAG | CAE | H8 | 178.0° | 146.2° |
| CAJ | CAG | H9 | H10 | 119.9° | 120.2° |
| CAG | CAJ | H11 | H12 | 119.4° | 118.8° |
| CAF | CAI | NAO | CAJ | 52.8° | 82.8° |
| CAF | CAI | NAO | H1 | 120.4° | 119.7° |
| CAF | CAI | NAO | H2 | 120.5° | 119.7° |
| CAF | CAI | NAO | CAK | 173.4° | 150.3° |
| CAF | CAI | H1 | H2 | 118.6° | 120.8° |
| CAI | CAF | H3 | H4 | 119.5° | 119.0° |
| CAI | CAF | CAD | H5 | 25.1° | 79.7° |
| CAI | CAF | CAD | H6 | 145.1° | 161.5° |
| OAA | CAN | CAC | NAM | 180.0° | 180.0° |
| OAA | CAN | NAM | CAH | 0.0° | 0.0° |
| OAA | CAN | CAC | NAL | 164.4° | 0.0° |
| OAA | CAN | NAM | H18 | 180.0° | 180.0° |
| OAA | CAN | CAC | H19 | 15.7° | 180.0° |
| CAJ | NAO | CAI | CAK | 120.6° | 126.8° |
| CAJ | NAO | CAK | CAH | 82.9° | 61.1° |
| CAJ | NAO | CAI | H1 | 173.2° | 157.5° |
| CAJ | NAO | CAI | H2 | 67.7° | 36.8° |
| NAO | CAJ | CAG | H9 | 163.9° | 162.8° |
| NAO | CAJ | CAG | H10 | 43.9° | 42.5° |
| NAO | CAJ | H11 | H12 | 119.4° | 118.9° |
| CAJ | NAO | CAK | H14 | 156.9° | 178.9° |
| CAJ | NAO | CAK | H15 | 37.4° | 58.9° |
| CAI | NAO | CAK | CAH | 155.9° | 170.0° |
| NAO | CAI | H1 | H2 | 118.6° | 120.6° |
| NAO | CAI | CAF | H3 | 150.7° | 144.4° |
| NAO | CAI | CAF | H4 | 89.6° | 25.4° |
| CAI | NAO | CAJ | H11 | 18.2° | 58.3° |
| CAI | NAO | CAJ | H12 | 137.8° | 177.2° |
| CAI | NAO | CAK | H14 | 35.7° | 50.0° |
| CAI | NAO | CAK | H15 | 83.8° | 70.0° |
| NAO | CAK | CAH | H14 | 120.2° | 120.0° |
| NAO | CAK | CAH | H15 | 120.3° | 120.0° |
| NAO | CAK | CAH | NAM | 114.6° | 180.0° |
| CAK | NAO | CAI | H1 | 66.2° | 30.7° |
| CAK | NAO | CAI | H2 | 52.9° | 90.0° |
| CAK | NAO | CAJ | H11 | 102.4° | 68.6° |
| CAK | NAO | CAJ | H12 | 17.2° | 50.3° |
| NAO | CAK | H14 | H15 | 119.3° | 120.0° |
| NAO | CAK | CAH | H16 | 125.4° | 60.0° |
| NAO | CAK | CAH | H17 | 5.4° | 59.9° |
| CAC | CAN | NAM | CAH | 180.0° | 180.0° |
| CAN | CAC | NAL | H19 | 180.0° | 179.9° |
| CAN | CAC | NAL | OAB | 180.0° | 180.0° |
| CAC | CAN | NAM | H18 | 0.0° | 0.0° |
| CAN | NAM | CAH | CAK | 99.9° | 180.0° |
| CAN | NAM | CAH | H18 | 180.0° | 179.9° |
| NAM | CAN | CAC | NAL | 15.6° | 180.0° |
| CAN | NAM | CAH | H16 | 140.1° | 60.0° |
| CAN | NAM | CAH | H17 | 20.1° | 60.0° |
| NAM | CAN | CAC | H19 | 164.4° | 0.0° |
| CAK | CAH | NAM | H16 | 120.0° | 120.0° |
| CAK | CAH | NAM | H17 | 120.0° | 120.0° |
| CAH | CAK | H14 | H15 | 119.3° | 120.0° |
| CAK | CAH | H16 | H17 | 120.0° | 120.0° |
| CAK | CAH | NAM | H18 | 80.1° | 0.0° |
| NAM | CAH | CAK | H14 | 5.6° | 60.0° |
| NAM | CAH | CAK | H15 | 125.1° | 60.0° |
| NAM | CAH | H16 | H17 | 120.0° | 120.0° |
| CAC | NAL | OAB | H22 | 180.0° | 180.0° |
| OAB | NAL | CAC | H19 | 0.0° | 0.1° |
| H1 | CAI | CAF | H3 | 30.3° | 24.8° |
| H1 | CAI | CAF | H4 | 150.0° | 94.2° |
| H2 | CAI | CAF | H3 | 88.8° | 96.0° |
| H2 | CAI | CAF | H4 | 30.9° | 145.0° |
| H3 | CAF | CAD | H5 | 95.1° | 40.9° |
| H3 | CAF | CAD | H6 | 25.0° | 77.9° |
| H4 | CAF | CAD | H5 | 145.2° | 159.8° |
| H4 | CAF | CAD | H6 | 94.7° | 41.0° |
| H5 | CAD | CAE | H7 | 155.4° | 41.4° |
| H5 | CAD | CAE | H8 | 84.6° | 77.0° |
| H6 | CAD | CAE | H7 | 84.5° | 160.1° |
| H6 | CAD | CAE | H8 | 35.5° | 41.7° |
| H7 | CAE | CAG | H9 | 58.0° | 92.0° |
| H7 | CAE | CAG | H10 | 178.0° | 147.6° |
| H8 | CAE | CAG | H9 | 61.9° | 26.4° |
| H8 | CAE | CAG | H10 | 58.0° | 94.0° |
| H9 | CAG | CAJ | H11 | 76.0° | 76.6° |
| H9 | CAG | CAJ | H12 | 43.7° | 42.2° |
| H10 | CAG | CAJ | H11 | 164.1° | 163.1° |
| H10 | CAG | CAJ | H12 | 76.3° | 78.1° |
| H14 | CAK | CAH | H16 | 114.4° | 180.0° |
| H14 | CAK | CAH | H17 | 125.6° | 60.1° |
| H15 | CAK | CAH | H16 | 5.1° | 60.0° |
| H15 | CAK | CAH | H17 | 114.9° | 180.0° |
| H16 | CAH | NAM | H18 | 39.8° | 119.9° |
| H17 | CAH | NAM | H18 | 159.8° | 120.1° |
