WPL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | CAU | doub | 1.21Å | 1.27Å | |
| OAD | CAU | sing | 1.34Å | 1.28Å | |
| CAU | CBA | sing | 1.51Å | 1.51Å | |
| CBA | OAI | sing | 1.43Å | 1.43Å | |
| CBA | CAP | sing | 1.53Å | 1.51Å | |
| CBA | CAO | sing | 1.53Å | 1.53Å | |
| CAP | CAX | sing | 1.53Å | 1.53Å | |
| CAO | CAW | sing | 1.53Å | 1.53Å | |
| CAX | CAJ | sing | 1.53Å | 1.54Å | |
| CAX | CAY | sing | 1.53Å | 1.52Å | |
| CAW | CAY | sing | 1.53Å | 1.52Å | |
| CAW | OAG | sing | 1.43Å | 1.44Å | |
| CAY | OAH | sing | 1.43Å | 1.42Å | |
| CAX | H1 | sing | 1.09Å | 1.10Å | |
| CAP | H2 | sing | 1.09Å | 1.10Å | |
| CAP | H3 | sing | 1.09Å | 1.10Å | |
| OAD | H4 | sing | 0.97Å | 0.95Å | |
| OAI | H5 | sing | 0.97Å | 0.95Å | |
| CAO | H6 | sing | 1.09Å | 1.10Å | |
| CAO | H7 | sing | 1.09Å | 1.10Å | |
| CAW | H8 | sing | 1.09Å | 1.10Å | |
| OAG | H9 | sing | 0.97Å | 0.95Å | |
| CAY | H10 | sing | 1.09Å | 1.10Å | |
| OAH | H11 | sing | 0.97Å | 0.95Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAJ | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | CAU | OAD | 124.5° | 120.0° |
| OAF | CAU | CBA | 116.9° | 120.0° |
| OAD | CAU | CBA | 118.6° | 120.0° |
| CAU | OAD | H4 | 109.5° | 117.0° |
| CAU | CBA | OAI | 110.8° | 109.4° |
| CAU | CBA | CAP | 108.4° | 109.4° |
| CAU | CBA | CAO | 112.9° | 109.5° |
| OAI | CBA | CAP | 105.4° | 109.5° |
| OAI | CBA | CAO | 109.1° | 109.5° |
| CBA | OAI | H5 | 109.5° | 114.0° |
| CAP | CBA | CAO | 109.9° | 109.5° |
| CBA | CAP | CAX | 114.9° | 109.5° |
| CBA | CAP | H2 | 108.1° | 109.5° |
| CBA | CAP | H3 | 108.1° | 109.5° |
| CBA | CAO | CAW | 112.9° | 109.5° |
| CBA | CAO | H6 | 108.6° | 109.5° |
| CBA | CAO | H7 | 108.6° | 109.5° |
| CAP | CAX | CAJ | 111.4° | 109.5° |
| CAP | CAX | CAY | 112.9° | 109.5° |
| CAP | CAX | H1 | 109.1° | 109.4° |
| CAX | CAP | H2 | 108.1° | 109.5° |
| CAX | CAP | H3 | 108.1° | 109.4° |
| CAO | CAW | CAY | 112.2° | 109.5° |
| CAO | CAW | OAG | 110.0° | 109.5° |
| CAW | CAO | H6 | 108.6° | 109.5° |
| CAW | CAO | H7 | 108.6° | 109.5° |
| CAO | CAW | H8 | 108.5° | 109.5° |
| CAJ | CAX | CAY | 104.9° | 109.5° |
| CAJ | CAX | H1 | 109.1° | 109.5° |
| CAX | CAJ | H12 | 109.5° | 109.5° |
| CAX | CAJ | H13 | 109.5° | 109.5° |
| CAX | CAJ | H14 | 109.5° | 109.5° |
| CAX | CAY | CAW | 111.0° | 109.5° |
| CAX | CAY | OAH | 109.4° | 109.5° |
| CAY | CAX | H1 | 109.3° | 109.4° |
| CAX | CAY | H10 | 108.3° | 109.5° |
| CAY | CAW | OAG | 107.9° | 109.4° |
| CAW | CAY | OAH | 110.2° | 109.5° |
| CAY | CAW | H8 | 108.6° | 109.5° |
| CAW | CAY | H10 | 108.2° | 109.4° |
| OAG | CAW | H8 | 109.7° | 109.4° |
| CAW | OAG | H9 | 109.5° | 113.9° |
| OAH | CAY | H10 | 109.7° | 109.5° |
| CAY | OAH | H11 | 109.5° | 114.0° |
| H2 | CAP | H3 | 109.4° | 109.5° |
| H6 | CAO | H7 | 109.5° | 109.5° |
| H12 | CAJ | H13 | 109.5° | 109.4° |
| H12 | CAJ | H14 | 109.5° | 109.5° |
| H13 | CAJ | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | CAU | OAD | CBA | 179.9° | 179.9° |
| OAF | CAU | CBA | OAI | 14.9° | 145.0° |
| OAF | CAU | CBA | CAP | 100.4° | 25.0° |
| OAF | CAU | CBA | CAO | 137.7° | 95.0° |
| OAF | CAU | OAD | H4 | 0.0° | 0.0° |
| OAD | CAU | CBA | OAI | 165.0° | 35.1° |
| OAD | CAU | CBA | CAP | 79.8° | 155.0° |
| OAD | CAU | CBA | CAO | 42.2° | 85.0° |
| CAU | CBA | OAI | CAP | 117.1° | 119.9° |
| CAU | CBA | OAI | CAO | 125.0° | 120.0° |
| CAU | CBA | CAP | CAO | 123.9° | 120.0° |
| CAU | CBA | CAP | CAX | 174.9° | 180.0° |
| CAU | CBA | CAO | CAW | 173.8° | 180.0° |
| CAU | CBA | CAP | H2 | 54.1° | 60.0° |
| CAU | CBA | CAP | H3 | 64.3° | 60.1° |
| CBA | CAU | OAD | H4 | 179.9° | 180.0° |
| CAU | CBA | OAI | H5 | 7.1° | 60.1° |
| CAU | CBA | CAO | H6 | 65.7° | 60.0° |
| CAU | CBA | CAO | H7 | 53.3° | 60.0° |
| OAI | CBA | CAP | CAO | 117.4° | 120.0° |
| OAI | CBA | CAP | CAX | 66.4° | 60.0° |
| OAI | CBA | CAO | CAW | 62.5° | 60.0° |
| OAI | CBA | CAP | H2 | 172.8° | 60.0° |
| OAI | CBA | CAP | H3 | 54.4° | 180.0° |
| OAI | CBA | CAO | H6 | 58.0° | 60.0° |
| OAI | CBA | CAO | H7 | 177.0° | 180.0° |
| CBA | CAP | CAX | H2 | 120.8° | 120.0° |
| CBA | CAP | CAX | H3 | 120.8° | 120.0° |
| CAP | CBA | CAO | CAW | 52.7° | 60.0° |
| CBA | CAP | CAX | CAJ | 169.2° | 180.0° |
| CBA | CAP | CAX | CAY | 51.5° | 60.0° |
| CBA | CAP | CAX | H1 | 70.3° | 60.0° |
| CBA | CAP | H2 | H3 | 117.6° | 120.0° |
| CAP | CBA | OAI | H5 | 109.9° | 180.0° |
| CAP | CBA | CAO | H6 | 173.2° | 180.0° |
| CAP | CBA | CAO | H7 | 67.8° | 60.0° |
| CAO | CBA | CAP | CAX | 51.0° | 60.0° |
| CBA | CAO | CAW | H6 | 120.5° | 120.0° |
| CBA | CAO | CAW | H7 | 120.5° | 120.0° |
| CBA | CAO | CAW | CAY | 55.1° | 60.0° |
| CBA | CAO | CAW | OAG | 175.3° | 180.0° |
| CAO | CBA | CAP | H2 | 69.8° | 180.0° |
| CAO | CBA | CAP | H3 | 171.8° | 60.0° |
| CAO | CBA | OAI | H5 | 132.1° | 60.0° |
| CBA | CAO | H6 | H7 | 118.5° | 120.0° |
| CBA | CAO | CAW | H8 | 64.8° | 60.0° |
| CAP | CAX | CAJ | CAY | 122.5° | 120.0° |
| CAP | CAX | CAJ | H1 | 120.5° | 120.0° |
| CAP | CAX | CAY | H1 | 121.7° | 119.9° |
| CAP | CAX | CAY | CAW | 50.7° | 60.0° |
| CAP | CAX | CAY | OAH | 172.5° | 180.0° |
| CAX | CAP | H2 | H3 | 117.5° | 120.0° |
| CAP | CAX | CAY | H10 | 68.0° | 60.0° |
| CAP | CAX | CAJ | H12 | 180.0° | 59.9° |
| CAP | CAX | CAJ | H13 | 60.0° | 60.0° |
| CAP | CAX | CAJ | H14 | 60.0° | 180.0° |
| CAO | CAW | CAY | CAX | 53.0° | 60.0° |
| CAO | CAW | CAY | OAG | 121.3° | 120.0° |
| CAO | CAW | CAY | H8 | 119.9° | 120.1° |
| CAO | CAW | OAG | H8 | 119.2° | 120.0° |
| CAO | CAW | CAY | OAH | 174.3° | 180.0° |
| CAW | CAO | H6 | H7 | 118.4° | 120.0° |
| CAO | CAW | OAG | H9 | 180.0° | 60.0° |
| CAO | CAW | CAY | H10 | 65.7° | 59.9° |
| CAJ | CAX | CAY | H1 | 116.8° | 120.0° |
| CAJ | CAX | CAY | CAW | 172.2° | 180.0° |
| CAJ | CAX | CAY | OAH | 66.0° | 60.0° |
| CAJ | CAX | CAP | H2 | 48.4° | 60.0° |
| CAJ | CAX | CAP | H3 | 70.0° | 60.0° |
| CAJ | CAX | CAY | H10 | 53.5° | 60.0° |
| CAX | CAJ | H12 | H13 | 120.0° | 120.0° |
| CAX | CAJ | H12 | H14 | 120.0° | 120.0° |
| CAX | CAJ | H13 | H14 | 120.0° | 120.0° |
| CAX | CAY | CAW | OAH | 121.3° | 120.0° |
| CAX | CAY | CAW | H10 | 118.8° | 120.0° |
| CAX | CAY | CAW | OAG | 174.3° | 180.0° |
| CAX | CAY | OAH | H10 | 118.7° | 120.0° |
| CAY | CAX | CAP | H2 | 69.3° | 180.0° |
| CAY | CAX | CAP | H3 | 172.3° | 60.0° |
| CAX | CAY | CAW | H8 | 66.9° | 60.1° |
| CAX | CAY | OAH | H11 | 180.0° | 180.0° |
| CAY | CAX | CAJ | H12 | 57.6° | 60.1° |
| CAY | CAX | CAJ | H13 | 62.5° | 180.0° |
| CAY | CAX | CAJ | H14 | 177.6° | 60.0° |
| CAY | CAW | OAG | H8 | 118.1° | 120.0° |
| CAW | CAY | OAH | H10 | 119.1° | 120.0° |
| CAW | CAY | CAX | H1 | 71.0° | 60.0° |
| CAY | CAW | CAO | H6 | 175.7° | 180.0° |
| CAY | CAW | CAO | H7 | 65.4° | 60.0° |
| CAY | CAW | OAG | H9 | 57.3° | 180.0° |
| CAW | CAY | OAH | H11 | 57.7° | 60.0° |
| OAG | CAW | CAY | OAH | 64.4° | 60.0° |
| OAG | CAW | CAO | H6 | 64.2° | 60.0° |
| OAG | CAW | CAO | H7 | 54.8° | 60.0° |
| OAG | CAW | CAY | H10 | 55.6° | 60.0° |
| OAH | CAY | CAX | H1 | 50.8° | 60.1° |
| OAH | CAY | CAW | H8 | 54.4° | 60.0° |
| H1 | CAX | CAP | H2 | 168.9° | 60.1° |
| H1 | CAX | CAP | H3 | 50.5° | 179.9° |
| H1 | CAX | CAY | H10 | 170.3° | 179.9° |
| H1 | CAX | CAJ | H12 | 59.5° | 180.0° |
| H1 | CAX | CAJ | H13 | 179.5° | 60.0° |
| H1 | CAX | CAJ | H14 | 60.6° | 60.0° |
| H6 | CAO | CAW | H8 | 55.7° | 59.9° |
| H7 | CAO | CAW | H8 | 174.7° | 179.9° |
| H8 | CAW | OAG | H9 | 60.8° | 60.0° |
| H8 | CAW | CAY | H10 | 174.4° | 180.0° |
| H10 | CAY | OAH | H11 | 61.3° | 60.0° |
| H12 | CAJ | H13 | H14 | 120.0° | 120.0° |
