31P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBE | CBD | sing | 1.53Å | 1.52Å | |
| CAR | CAP | sing | 1.51Å | 1.52Å | |
| NAO | CAP | doub | 1.31Å | 1.35Å | Aromatic |
| NAO | NAN | sing | 1.29Å | 1.28Å | Aromatic |
| CAP | NAK | sing | 1.36Å | 1.33Å | Aromatic |
| CAF | CAA | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| CBD | CAS | sing | 1.53Å | 1.52Å | |
| NAN | CAJ | doub | 1.30Å | 1.35Å | Aromatic |
| CAA | CAB | sing | 1.39Å | 1.40Å | Aromatic |
| NAK | CAJ | sing | 1.36Å | 1.34Å | Aromatic |
| NAK | CAE | sing | 1.40Å | 1.35Å | |
| CAJ | CAI | sing | 1.51Å | 1.41Å | |
| CAE | CAD | doub | 1.40Å | 1.41Å | Aromatic |
| CAM | OAL | sing | 1.43Å | 1.44Å | |
| CAS | CAI | sing | 1.53Å | 1.53Å | |
| CAS | CAT | sing | 1.51Å | 1.54Å | |
| CAI | NAH | sing | 1.47Å | 1.50Å | |
| CAB | OAL | sing | 1.36Å | 1.37Å | |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.40Å | 1.39Å | Aromatic |
| CAD | CAG | sing | 1.47Å | 1.40Å | |
| CAT | OAU | sing | 1.34Å | 1.35Å | |
| CAT | OAV | doub | 1.21Å | 1.24Å | |
| OAU | CAW | sing | 1.45Å | 1.43Å | |
| NAH | CAG | doub | 1.29Å | 1.35Å | |
| CAG | CAQ | sing | 1.48Å | 1.41Å | |
| CAQ | CAX | doub | 1.40Å | 1.41Å | Aromatic |
| CAQ | CBB | sing | 1.39Å | 1.40Å | Aromatic |
| CAX | CAY | sing | 1.38Å | 1.40Å | Aromatic |
| CBB | CBA | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | CAZ | doub | 1.38Å | 1.39Å | Aromatic |
| CBA | CAZ | sing | 1.39Å | 1.39Å | Aromatic |
| CAZ | CL1 | sing | 1.74Å | 1.73Å | |
| CAW | H1 | sing | 1.09Å | 1.10Å | |
| CAW | H2 | sing | 1.09Å | 1.10Å | |
| CAW | H3 | sing | 1.09Å | 1.10Å | |
| CAS | H4 | sing | 1.09Å | 1.10Å | |
| CBD | H5 | sing | 1.09Å | 1.10Å | |
| CBD | H6 | sing | 1.09Å | 1.10Å | |
| CBE | H7 | sing | 1.09Å | 1.10Å | |
| CBE | H8 | sing | 1.09Å | 1.10Å | |
| CBE | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAR | H11 | sing | 1.09Å | 1.10Å | |
| CAR | H12 | sing | 1.09Å | 1.10Å | |
| CAR | H13 | sing | 1.09Å | 1.10Å | |
| CAF | H14 | sing | 1.08Å | 1.08Å | |
| CAA | H15 | sing | 1.08Å | 1.08Å | |
| CAM | H16 | sing | 1.09Å | 1.10Å | |
| CAM | H17 | sing | 1.09Å | 1.10Å | |
| CAM | H18 | sing | 1.09Å | 1.10Å | |
| CAC | H19 | sing | 1.08Å | 1.08Å | |
| CAX | H20 | sing | 1.08Å | 1.08Å | |
| CAY | H21 | sing | 1.08Å | 1.08Å | |
| CBA | H22 | sing | 1.08Å | 1.08Å | |
| CBB | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBE | CBD | CAS | 113.6° | 109.4° |
| CBE | CBD | H5 | 108.4° | 109.5° |
| CBE | CBD | H6 | 108.4° | 109.5° |
| CBD | CBE | H7 | 109.5° | 109.5° |
| CBD | CBE | H8 | 109.4° | 109.5° |
| CBD | CBE | H9 | 109.4° | 109.5° |
| CAR | CAP | NAO | 125.1° | 126.6° |
| CAR | CAP | NAK | 125.2° | 126.5° |
| CAP | CAR | H11 | 109.5° | 109.5° |
| CAP | CAR | H12 | 109.5° | 109.5° |
| CAP | CAR | H13 | 109.5° | 109.4° |
| CAP | NAO | NAN | 108.6° | 109.9° |
| NAO | CAP | NAK | 109.8° | 106.9° |
| NAO | NAN | CAJ | 107.2° | 109.6° |
| CAP | NAK | CAJ | 104.1° | 106.1° |
| CAP | NAK | CAE | 135.8° | 127.9° |
| CAA | CAF | CAE | 120.1° | 120.6° |
| CAF | CAA | CAB | 120.7° | 119.9° |
| CAA | CAF | H14 | 120.0° | 119.7° |
| CAF | CAA | H15 | 119.6° | 120.0° |
| CAF | CAE | NAK | 116.9° | 118.3° |
| CAF | CAE | CAD | 118.9° | 119.9° |
| CAE | CAF | H14 | 119.9° | 119.7° |
| CBD | CAS | CAI | 113.7° | 109.5° |
| CBD | CAS | CAT | 99.6° | 109.5° |
| CBD | CAS | H4 | 111.7° | 109.5° |
| CAS | CBD | H5 | 108.5° | 109.4° |
| CAS | CBD | H6 | 108.4° | 109.5° |
| NAN | CAJ | NAK | 110.3° | 107.4° |
| NAN | CAJ | CAI | 127.8° | 127.5° |
| CAA | CAB | OAL | 124.8° | 120.0° |
| CAA | CAB | CAC | 119.1° | 120.1° |
| CAB | CAA | H15 | 119.7° | 120.1° |
| CAJ | NAK | CAE | 120.1° | 126.0° |
| NAK | CAJ | CAI | 121.8° | 125.1° |
| NAK | CAE | CAD | 124.2° | 121.8° |
| CAJ | CAI | CAS | 117.5° | 109.8° |
| CAJ | CAI | NAH | 105.1° | 107.7° |
| CAJ | CAI | H10 | 106.4° | 109.8° |
| CAE | CAD | CAC | 120.4° | 119.0° |
| CAE | CAD | CAG | 125.4° | 123.0° |
| CAM | OAL | CAB | 118.6° | 117.0° |
| OAL | CAM | H16 | 109.5° | 109.5° |
| OAL | CAM | H17 | 109.5° | 109.5° |
| OAL | CAM | H18 | 109.5° | 109.5° |
| CAI | CAS | CAT | 108.2° | 109.5° |
| CAS | CAI | NAH | 116.3° | 109.8° |
| CAI | CAS | H4 | 111.6° | 109.5° |
| CAS | CAI | H10 | 105.1° | 109.9° |
| CAS | CAT | OAU | 114.1° | 120.0° |
| CAS | CAT | OAV | 122.0° | 120.0° |
| CAT | CAS | H4 | 111.4° | 109.5° |
| CAI | NAH | CAG | 119.4° | 121.9° |
| NAH | CAI | H10 | 105.4° | 109.8° |
| OAL | CAB | CAC | 116.1° | 119.9° |
| CAB | CAC | CAD | 120.8° | 120.5° |
| CAB | CAC | H19 | 119.6° | 119.7° |
| CAC | CAD | CAG | 114.1° | 118.0° |
| CAD | CAC | H19 | 119.6° | 119.8° |
| CAD | CAG | NAH | 119.1° | 128.0° |
| CAD | CAG | CAQ | 120.6° | 116.0° |
| OAU | CAT | OAV | 123.4° | 120.0° |
| CAT | OAU | CAW | 111.9° | 117.0° |
| OAU | CAW | H1 | 109.5° | 109.5° |
| OAU | CAW | H2 | 109.5° | 109.5° |
| OAU | CAW | H3 | 109.5° | 109.5° |
| NAH | CAG | CAQ | 120.1° | 116.0° |
| CAG | CAQ | CAX | 121.6° | 120.1° |
| CAG | CAQ | CBB | 119.9° | 120.2° |
| CAX | CAQ | CBB | 118.5° | 119.8° |
| CAQ | CAX | CAY | 120.8° | 119.9° |
| CAQ | CAX | H20 | 119.6° | 120.1° |
| CAQ | CBB | CBA | 120.6° | 119.9° |
| CAQ | CBB | H23 | 119.7° | 120.0° |
| CAX | CAY | CAZ | 119.8° | 120.1° |
| CAY | CAX | H20 | 119.6° | 120.1° |
| CAX | CAY | H21 | 120.1° | 119.9° |
| CBB | CBA | CAZ | 120.5° | 120.1° |
| CBB | CBA | H22 | 119.7° | 119.9° |
| CBA | CBB | H23 | 119.7° | 120.1° |
| CAY | CAZ | CBA | 119.8° | 120.3° |
| CAY | CAZ | CL1 | 120.8° | 119.9° |
| CAZ | CAY | H21 | 120.1° | 120.0° |
| CBA | CAZ | CL1 | 119.4° | 119.9° |
| CAZ | CBA | H22 | 119.7° | 119.9° |
| H1 | CAW | H2 | 109.4° | 109.4° |
| H1 | CAW | H3 | 109.5° | 109.5° |
| H2 | CAW | H3 | 109.5° | 109.4° |
| H5 | CBD | H6 | 109.5° | 109.5° |
| H7 | CBE | H8 | 109.5° | 109.4° |
| H7 | CBE | H9 | 109.5° | 109.5° |
| H8 | CBE | H9 | 109.5° | 109.5° |
| H11 | CAR | H12 | 109.4° | 109.5° |
| H11 | CAR | H13 | 109.5° | 109.5° |
| H12 | CAR | H13 | 109.5° | 109.5° |
| H16 | CAM | H17 | 109.5° | 109.5° |
| H16 | CAM | H18 | 109.5° | 109.5° |
| H17 | CAM | H18 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBE | CBD | CAS | H5 | 120.6° | 119.9° |
| CBE | CBD | CAS | H6 | 120.6° | 120.0° |
| CBE | CBD | CAS | CAI | 39.7° | 175.0° |
| CBE | CBD | CAS | CAT | 154.6° | 65.0° |
| CBE | CBD | CAS | H4 | 87.6° | 55.0° |
| CBE | CBD | H5 | H6 | 118.1° | 120.1° |
| CBD | CBE | H7 | H8 | 120.0° | 119.9° |
| CBD | CBE | H7 | H9 | 120.0° | 120.1° |
| CBD | CBE | H8 | H9 | 120.0° | 120.1° |
| CAR | CAP | NAO | NAK | 179.8° | 180.0° |
| CAR | CAP | NAO | NAN | 179.3° | 179.1° |
| CAR | CAP | NAK | CAJ | 179.2° | 178.1° |
| CAR | CAP | NAK | CAE | 1.0° | 3.6° |
| CAP | CAR | H11 | H12 | 120.0° | 120.0° |
| CAP | CAR | H11 | H13 | 120.0° | 120.0° |
| CAP | CAR | H12 | H13 | 120.0° | 120.0° |
| CAP | NAO | NAN | CAJ | 0.2° | 0.5° |
| NAO | CAP | NAK | CAJ | 0.6° | 1.9° |
| NAO | CAP | NAK | CAE | 179.2° | 176.4° |
| NAO | CAP | CAR | H11 | 0.0° | 90.0° |
| NAO | CAP | CAR | H12 | 120.0° | 150.0° |
| NAO | CAP | CAR | H13 | 120.0° | 30.0° |
| NAN | NAO | CAP | NAK | 0.5° | 0.9° |
| NAO | NAN | CAJ | NAK | 0.1° | 1.7° |
| NAO | NAN | CAJ | CAI | 179.5° | 178.0° |
| CAP | NAK | CAE | CAF | 45.1° | 34.5° |
| CAP | NAK | CAJ | NAN | 0.4° | 2.2° |
| CAP | NAK | CAJ | CAE | 179.8° | 178.3° |
| CAP | NAK | CAJ | CAI | 179.8° | 177.5° |
| CAP | NAK | CAE | CAD | 136.8° | 145.8° |
| NAK | CAP | CAR | H11 | 179.8° | 90.0° |
| NAK | CAP | CAR | H12 | 60.3° | 30.0° |
| NAK | CAP | CAR | H13 | 59.7° | 150.0° |
| CAA | CAF | CAE | H14 | 180.0° | 179.8° |
| CAF | CAA | CAB | H15 | 180.0° | 180.0° |
| CAA | CAF | CAE | NAK | 178.3° | 178.4° |
| CAA | CAF | CAE | CAD | 0.2° | 1.3° |
| CAF | CAA | CAB | OAL | 179.7° | 179.2° |
| CAF | CAA | CAB | CAC | 0.2° | 0.8° |
| CAE | CAF | CAA | CAB | 0.7° | 0.2° |
| CAF | CAE | NAK | CAJ | 135.2° | 143.4° |
| CAF | CAE | NAK | CAD | 178.0° | 179.7° |
| CAF | CAE | CAD | CAC | 0.9° | 2.1° |
| CAF | CAE | CAD | CAG | 179.4° | 175.8° |
| CAE | CAF | CAA | H15 | 179.3° | 179.8° |
| CBD | CAS | CAI | CAJ | 77.3° | 62.4° |
| CBD | CAS | CAI | CAT | 109.6° | 120.0° |
| CBD | CAS | CAI | H4 | 127.4° | 120.0° |
| CBD | CAS | CAT | H4 | 118.0° | 120.0° |
| CBD | CAS | CAI | NAH | 156.9° | 179.3° |
| CBD | CAS | CAT | OAU | 81.4° | 117.6° |
| CBD | CAS | CAT | OAV | 90.9° | 62.5° |
| CAS | CBD | H5 | H6 | 118.1° | 120.0° |
| CAS | CBD | CBE | H7 | 180.0° | 180.0° |
| CAS | CBD | CBE | H8 | 60.0° | 60.1° |
| CAS | CBD | CBE | H9 | 60.0° | 60.0° |
| CBD | CAS | CAI | H10 | 40.7° | 58.5° |
| NAN | CAJ | NAK | CAI | 179.4° | 179.7° |
| NAN | CAJ | NAK | CAE | 179.4° | 176.1° |
| NAN | CAJ | CAI | CAS | 23.5° | 119.4° |
| NAN | CAJ | CAI | NAH | 107.6° | 121.0° |
| NAN | CAJ | CAI | H10 | 140.9° | 1.5° |
| CAA | CAB | OAL | CAM | 7.5° | 0.0° |
| CAA | CAB | OAL | CAC | 179.5° | 180.0° |
| CAA | CAB | CAC | CAD | 0.8° | 0.1° |
| CAB | CAA | CAF | H14 | 179.3° | 180.0° |
| CAA | CAB | CAC | H19 | 179.2° | 179.9° |
| CAJ | NAK | CAE | CAD | 42.9° | 36.3° |
| NAK | CAJ | CAI | CAS | 157.2° | 60.9° |
| NAK | CAJ | CAI | NAH | 71.7° | 58.6° |
| NAK | CAJ | CAI | H10 | 39.9° | 178.2° |
| CAE | NAK | CAJ | CAI | 0.0° | 4.2° |
| NAK | CAE | CAD | CAC | 177.1° | 177.5° |
| NAK | CAE | CAD | CAG | 1.4° | 4.5° |
| NAK | CAE | CAF | H14 | 1.6° | 1.8° |
| CAJ | CAI | CAS | NAH | 125.8° | 118.3° |
| CAJ | CAI | CAS | H10 | 118.0° | 120.9° |
| CAJ | CAI | CAS | CAT | 173.0° | 177.6° |
| CAJ | CAI | NAH | H10 | 112.2° | 119.6° |
| CAJ | CAI | NAH | CAG | 73.6° | 61.1° |
| CAJ | CAI | CAS | H4 | 50.1° | 57.6° |
| CAE | CAD | CAC | CAB | 1.4° | 1.5° |
| CAE | CAD | CAC | CAG | 178.7° | 178.1° |
| CAE | CAD | CAG | NAH | 41.0° | 41.8° |
| CAE | CAD | CAG | CAQ | 133.8° | 138.2° |
| CAD | CAE | CAF | H14 | 179.8° | 178.6° |
| CAE | CAD | CAC | H19 | 178.6° | 178.5° |
| CAM | OAL | CAB | CAC | 172.9° | 180.0° |
| OAL | CAM | H16 | H17 | 120.0° | 120.0° |
| OAL | CAM | H16 | H18 | 120.0° | 120.0° |
| OAL | CAM | H17 | H18 | 120.0° | 120.0° |
| CAI | CAS | CAT | H4 | 123.0° | 120.0° |
| CAS | CAI | NAH | H10 | 116.0° | 120.9° |
| CAI | CAS | CAT | OAU | 159.7° | 122.4° |
| CAI | CAS | CAT | OAV | 28.1° | 57.5° |
| CAS | CAI | NAH | CAG | 154.5° | 58.4° |
| CAI | CAS | CBD | H5 | 160.4° | 55.0° |
| CAI | CAS | CBD | H6 | 80.9° | 65.0° |
| CAT | CAS | CAI | NAH | 47.2° | 59.3° |
| CAS | CAT | OAU | OAV | 172.1° | 180.0° |
| CAS | CAT | OAU | CAW | 142.0° | 174.8° |
| CAT | CAS | CBD | H5 | 84.8° | 175.0° |
| CAT | CAS | CBD | H6 | 34.0° | 55.0° |
| CAT | CAS | CAI | H10 | 68.9° | 61.5° |
| CAI | NAH | CAG | CAD | 4.5° | 1.3° |
| CAI | NAH | CAG | CAQ | 179.4° | 178.8° |
| NAH | CAI | CAS | H4 | 75.7° | 60.7° |
| OAL | CAB | CAC | CAD | 178.7° | 180.0° |
| OAL | CAB | CAA | H15 | 0.3° | 0.8° |
| CAB | OAL | CAM | H16 | 180.0° | 180.0° |
| CAB | OAL | CAM | H17 | 60.0° | 60.0° |
| CAB | OAL | CAM | H18 | 60.0° | 60.0° |
| OAL | CAB | CAC | H19 | 1.3° | 0.0° |
| CAB | CAC | CAD | H19 | 180.0° | 180.0° |
| CAB | CAC | CAD | CAG | 179.9° | 176.5° |
| CAC | CAB | CAA | H15 | 179.8° | 179.2° |
| CAC | CAD | CAG | NAH | 137.6° | 140.2° |
| CAC | CAD | CAG | CAQ | 47.6° | 39.8° |
| CAD | CAG | NAH | CAQ | 174.9° | 180.0° |
| CAD | CAG | CAQ | CAX | 30.0° | 153.8° |
| CAD | CAG | CAQ | CBB | 150.4° | 26.5° |
| CAG | CAD | CAC | H19 | 0.1° | 3.5° |
| CAT | OAU | CAW | H1 | 180.0° | 55.7° |
| CAT | OAU | CAW | H2 | 60.0° | 175.6° |
| CAT | OAU | CAW | H3 | 60.0° | 64.5° |
| OAU | CAT | CAS | H4 | 36.7° | 2.4° |
| OAV | CAT | OAU | CAW | 30.1° | 5.2° |
| OAV | CAT | CAS | H4 | 151.1° | 177.5° |
| OAU | CAW | H1 | H2 | 120.0° | 120.0° |
| OAU | CAW | H1 | H3 | 120.0° | 120.1° |
| OAU | CAW | H2 | H3 | 120.0° | 120.0° |
| NAH | CAG | CAQ | CAX | 144.9° | 26.2° |
| NAH | CAG | CAQ | CBB | 34.7° | 153.5° |
| CAG | NAH | CAI | H10 | 38.5° | 179.3° |
| CAG | CAQ | CAX | CBB | 179.6° | 179.7° |
| CAG | CAQ | CAX | CAY | 180.0° | 180.0° |
| CAG | CAQ | CBB | CBA | 179.8° | 179.7° |
| CAG | CAQ | CAX | H20 | 0.1° | 0.0° |
| CAG | CAQ | CBB | H23 | 0.2° | 0.1° |
| CAQ | CAX | CAY | H20 | 180.0° | 180.0° |
| CAX | CAQ | CBB | CBA | 0.2° | 0.6° |
| CAQ | CAX | CAY | CAZ | 0.6° | 0.0° |
| CAQ | CAX | CAY | H21 | 179.4° | 180.0° |
| CAX | CAQ | CBB | H23 | 179.8° | 179.8° |
| CBB | CAQ | CAX | CAY | 0.3° | 0.3° |
| CAQ | CBB | CBA | H23 | 180.0° | 179.7° |
| CAQ | CBB | CBA | CAZ | 0.3° | 0.5° |
| CBB | CAQ | CAX | H20 | 179.7° | 179.7° |
| CAQ | CBB | CBA | H22 | 179.7° | 179.7° |
| CAX | CAY | CAZ | H21 | 180.0° | 180.0° |
| CAX | CAY | CAZ | CBA | 0.7° | 0.0° |
| CAX | CAY | CAZ | CL1 | 179.7° | 180.0° |
| CBB | CBA | CAZ | CAY | 0.6° | 0.3° |
| CBB | CBA | CAZ | H22 | 180.0° | 179.7° |
| CBB | CBA | CAZ | CL1 | 179.8° | 179.7° |
| CAY | CAZ | CBA | CL1 | 179.6° | 180.0° |
| CAZ | CAY | CAX | H20 | 179.4° | 180.0° |
| CAY | CAZ | CBA | H22 | 179.4° | 180.0° |
| CBA | CAZ | CAY | H21 | 179.3° | 180.0° |
| CAZ | CBA | CBB | H23 | 179.7° | 179.8° |
| CL1 | CAZ | CAY | H21 | 0.3° | 0.0° |
| CL1 | CAZ | CBA | H22 | 0.2° | 0.0° |
| H1 | CAW | H2 | H3 | 120.0° | 120.0° |
| H4 | CAS | CBD | H5 | 33.0° | 65.0° |
| H4 | CAS | CBD | H6 | 151.8° | 175.0° |
| H4 | CAS | CAI | H10 | 168.1° | 178.5° |
| H5 | CBD | CBE | H7 | 59.4° | 60.1° |
| H5 | CBD | CBE | H8 | 60.6° | 180.0° |
| H5 | CBD | CBE | H9 | 179.4° | 59.9° |
| H6 | CBD | CBE | H7 | 59.4° | 60.0° |
| H6 | CBD | CBE | H8 | 179.4° | 59.9° |
| H6 | CBD | CBE | H9 | 60.6° | 180.0° |
| H7 | CBE | H8 | H9 | 120.0° | 119.9° |
| H11 | CAR | H12 | H13 | 120.0° | 120.0° |
| H14 | CAF | CAA | H15 | 0.7° | 0.0° |
| H16 | CAM | H17 | H18 | 120.0° | 120.0° |
| H20 | CAX | CAY | H21 | 0.6° | 0.0° |
| H22 | CBA | CBB | H23 | 0.3° | 0.0° |
