P3B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | CAY | sing | 1.43Å | 1.44Å | |
| OAG | CAZ | sing | 1.43Å | 1.47Å | |
| CAY | CAZ | sing | 1.53Å | 1.58Å | |
| CAY | CAN | sing | 1.53Å | 1.54Å | |
| CAZ | CAT | sing | 1.51Å | 1.44Å | |
| CAN | CAS | sing | 1.51Å | 1.34Å | |
| OAE | CAW | sing | 1.36Å | 1.35Å | |
| CAT | NAO | doub | 1.33Å | 1.37Å | |
| CAT | CAK | sing | 1.38Å | 1.42Å | |
| NAO | CAJ | sing | 1.32Å | 1.38Å | |
| CAS | CAK | doub | 1.38Å | 1.39Å | |
| CAS | CAR | sing | 1.40Å | 1.41Å | |
| CAA | CAU | sing | 1.51Å | 1.37Å | |
| OAD | CAR | doub | 1.22Å | 1.24Å | |
| CAW | CAU | doub | 1.36Å | 1.32Å | |
| CAW | CAX | sing | 1.42Å | 1.40Å | |
| CAR | OAB | sing | 1.35Å | 1.21Å | |
| CAU | NAP | sing | 1.36Å | 1.38Å | |
| CAJ | CAX | doub | 1.41Å | 1.44Å | |
| CAX | CAV | sing | 1.41Å | 1.42Å | |
| NAP | CAL | sing | 1.36Å | 1.39Å | |
| CAV | CAL | doub | 1.35Å | 1.39Å | |
| CAV | CAM | sing | 1.51Å | 1.37Å | |
| OAI | PBA | doub | 1.48Å | 1.50Å | |
| CAM | OAQ | sing | 1.43Å | 1.46Å | |
| OAQ | PBA | sing | 1.61Å | 1.67Å | |
| PBA | OAC | sing | 1.61Å | 1.52Å | |
| PBA | OAH | sing | 1.61Å | 1.59Å | |
| OAH | H1 | sing | 0.97Å | 0.95Å | |
| OAC | H2 | sing | 0.97Å | 0.95Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| OAE | H9 | sing | 0.97Å | 0.95Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| OAB | H12 | sing | 0.97Å | 0.95Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAY | H14 | sing | 1.09Å | 1.10Å | |
| OAF | H15 | sing | 0.97Å | 0.95Å | |
| CAZ | H16 | sing | 1.09Å | 1.10Å | |
| OAG | H17 | sing | 0.97Å | 0.95Å | |
| NAP | H18 | sing | 0.97Å | 1.00Å | |
| CAN | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | CAY | CAZ | 113.4° | 109.5° |
| OAF | CAY | CAN | 102.4° | 109.4° |
| OAF | CAY | H14 | 109.2° | 109.7° |
| CAY | OAF | H15 | 109.5° | 113.9° |
| OAG | CAZ | CAY | 116.7° | 109.5° |
| OAG | CAZ | CAT | 112.6° | 109.3° |
| OAG | CAZ | H16 | 104.6° | 109.6° |
| CAZ | OAG | H17 | 109.5° | 114.0° |
| CAZ | CAY | CAN | 116.3° | 108.7° |
| CAY | CAZ | CAT | 112.9° | 109.1° |
| CAZ | CAY | H14 | 107.4° | 109.5° |
| CAY | CAZ | H16 | 103.5° | 109.5° |
| CAY | CAN | CAS | 119.3° | 109.4° |
| CAY | CAN | H13 | 107.0° | 109.5° |
| CAN | CAY | H14 | 108.0° | 109.9° |
| CAY | CAN | H19 | 107.0° | 109.6° |
| CAZ | CAT | NAO | 114.0° | 119.6° |
| CAZ | CAT | CAK | 119.7° | 120.8° |
| CAT | CAZ | H16 | 104.9° | 109.8° |
| CAN | CAS | CAK | 121.3° | 120.8° |
| CAN | CAS | CAR | 115.1° | 119.7° |
| CAS | CAN | H13 | 106.9° | 109.5° |
| CAS | CAN | H19 | 106.9° | 109.5° |
| OAE | CAW | CAU | 117.4° | 120.5° |
| OAE | CAW | CAX | 120.2° | 120.4° |
| CAW | OAE | H9 | 109.5° | 114.0° |
| NAO | CAT | CAK | 125.8° | 119.6° |
| CAT | NAO | CAJ | 122.4° | 120.0° |
| CAT | CAK | CAS | 124.3° | 121.4° |
| CAT | CAK | H11 | 117.9° | 119.3° |
| NAO | CAJ | CAX | 121.7° | 120.0° |
| NAO | CAJ | H10 | 119.1° | 119.9° |
| CAK | CAS | CAR | 122.2° | 119.6° |
| CAS | CAK | H11 | 117.9° | 119.3° |
| CAS | CAR | OAD | 122.3° | 120.0° |
| CAS | CAR | OAB | 122.5° | 120.0° |
| CAA | CAU | CAW | 118.6° | 119.7° |
| CAA | CAU | NAP | 121.0° | 119.7° |
| CAU | CAA | H6 | 109.5° | 109.5° |
| CAU | CAA | H7 | 109.4° | 109.5° |
| CAU | CAA | H8 | 109.5° | 109.5° |
| OAD | CAR | OAB | 115.0° | 120.0° |
| CAU | CAW | CAX | 122.3° | 119.2° |
| CAW | CAU | NAP | 120.3° | 120.6° |
| CAW | CAX | CAJ | 120.7° | 120.7° |
| CAW | CAX | CAV | 117.3° | 118.6° |
| CAR | OAB | H12 | 109.5° | 114.0° |
| CAU | NAP | CAL | 121.3° | 121.4° |
| CAU | NAP | H18 | 119.4° | 119.3° |
| CAJ | CAX | CAV | 121.8° | 120.7° |
| CAX | CAJ | H10 | 119.1° | 120.1° |
| CAX | CAV | CAL | 120.4° | 119.3° |
| CAX | CAV | CAM | 122.4° | 120.3° |
| NAP | CAL | CAV | 118.3° | 120.8° |
| NAP | CAL | H5 | 120.9° | 119.5° |
| CAL | NAP | H18 | 119.4° | 119.3° |
| CAL | CAV | CAM | 117.1° | 120.4° |
| CAV | CAL | H5 | 120.9° | 119.6° |
| CAV | CAM | OAQ | 106.7° | 109.4° |
| CAV | CAM | H3 | 110.1° | 109.5° |
| CAV | CAM | H4 | 110.2° | 109.5° |
| OAI | PBA | OAQ | 111.5° | 109.5° |
| OAI | PBA | OAC | 110.4° | 109.5° |
| OAI | PBA | OAH | 103.6° | 109.5° |
| CAM | OAQ | PBA | 122.7° | 123.0° |
| OAQ | CAM | H3 | 110.2° | 109.4° |
| OAQ | CAM | H4 | 110.1° | 109.5° |
| OAQ | PBA | OAC | 115.3° | 109.5° |
| OAQ | PBA | OAH | 101.5° | 109.4° |
| OAC | PBA | OAH | 113.8° | 109.5° |
| PBA | OAC | H2 | 109.5° | 114.0° |
| PBA | OAH | H1 | 109.5° | 114.0° |
| H3 | CAM | H4 | 109.5° | 109.5° |
| H6 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H13 | CAN | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | CAY | CAZ | OAG | 80.9° | 63.1° |
| OAF | CAY | CAZ | CAN | 118.3° | 119.5° |
| OAF | CAY | CAZ | H14 | 120.7° | 120.3° |
| OAF | CAY | CAN | H14 | 115.1° | 120.5° |
| OAF | CAY | CAZ | CAT | 146.3° | 177.3° |
| OAF | CAY | CAN | CAS | 139.1° | 177.2° |
| OAF | CAY | CAN | H13 | 17.7° | 62.9° |
| OAF | CAY | CAZ | H16 | 33.4° | 57.0° |
| OAF | CAY | CAN | H19 | 99.6° | 57.2° |
| OAG | CAZ | CAY | CAT | 132.8° | 119.6° |
| OAG | CAZ | CAY | H16 | 114.3° | 120.2° |
| OAG | CAZ | CAY | CAN | 160.7° | 177.4° |
| OAG | CAZ | CAT | H16 | 113.2° | 120.2° |
| OAG | CAZ | CAT | NAO | 29.7° | 30.8° |
| OAG | CAZ | CAT | CAK | 157.7° | 149.5° |
| OAG | CAZ | CAY | H14 | 39.8° | 57.2° |
| CAZ | CAY | CAN | H14 | 120.7° | 119.9° |
| CAY | CAZ | CAT | H16 | 112.1° | 120.1° |
| CAZ | CAY | CAN | CAS | 14.9° | 57.6° |
| CAY | CAZ | CAT | NAO | 164.4° | 150.5° |
| CAY | CAZ | CAT | CAK | 23.0° | 29.8° |
| CAZ | CAY | CAN | H13 | 106.5° | 177.5° |
| CAZ | CAY | OAF | H15 | 180.0° | 180.0° |
| CAY | CAZ | OAG | H17 | 180.0° | 180.0° |
| CAZ | CAY | CAN | H19 | 136.2° | 62.4° |
| CAN | CAY | CAZ | CAT | 28.0° | 57.8° |
| CAY | CAN | CAS | H13 | 121.4° | 119.9° |
| CAY | CAN | CAS | H19 | 121.4° | 120.1° |
| CAY | CAN | CAS | CAK | 4.9° | 29.4° |
| CAY | CAN | CAS | CAR | 171.4° | 150.6° |
| CAY | CAN | H13 | H19 | 115.6° | 120.1° |
| CAN | CAY | OAF | H15 | 53.9° | 60.9° |
| CAN | CAY | CAZ | H16 | 85.0° | 62.5° |
| CAZ | CAT | NAO | CAK | 172.1° | 179.7° |
| CAZ | CAT | NAO | CAJ | 178.9° | 174.4° |
| CAZ | CAT | CAK | CAS | 4.2° | 0.3° |
| CAZ | CAT | CAK | H11 | 175.7° | 179.6° |
| CAT | CAZ | CAY | H14 | 93.0° | 62.4° |
| CAT | CAZ | OAG | H17 | 47.1° | 60.5° |
| CAN | CAS | CAK | CAT | 11.6° | 0.0° |
| CAN | CAS | CAK | CAR | 165.5° | 179.9° |
| CAN | CAS | CAR | OAD | 7.9° | 180.0° |
| CAN | CAS | CAR | OAB | 176.7° | 0.1° |
| CAN | CAS | CAK | H11 | 168.4° | 179.9° |
| CAS | CAN | H13 | H19 | 115.5° | 120.0° |
| CAS | CAN | CAY | H14 | 105.8° | 62.3° |
| OAE | CAW | CAU | CAA | 3.9° | 0.0° |
| OAE | CAW | CAU | CAX | 176.3° | 179.7° |
| OAE | CAW | CAU | NAP | 179.8° | 180.0° |
| OAE | CAW | CAX | CAJ | 4.1° | 0.3° |
| OAE | CAW | CAX | CAV | 179.5° | 179.7° |
| NAO | CAT | CAK | CAS | 175.9° | 180.0° |
| CAT | NAO | CAJ | CAX | 174.1° | 174.9° |
| CAT | NAO | CAJ | H10 | 5.9° | 5.1° |
| NAO | CAT | CAK | H11 | 4.0° | 0.0° |
| NAO | CAT | CAZ | H16 | 83.5° | 89.4° |
| CAK | CAT | NAO | CAJ | 8.9° | 5.9° |
| CAT | CAK | CAS | H11 | 180.0° | 179.9° |
| CAT | CAK | CAS | CAR | 177.1° | 179.9° |
| CAK | CAT | CAZ | H16 | 89.1° | 90.3° |
| NAO | CAJ | CAX | CAW | 7.8° | 0.0° |
| NAO | CAJ | CAX | H10 | 180.0° | 180.0° |
| NAO | CAJ | CAX | CAV | 168.4° | 179.4° |
| CAK | CAS | CAR | OAD | 174.2° | 0.1° |
| CAK | CAS | CAR | OAB | 10.3° | 180.0° |
| CAK | CAS | CAN | H13 | 126.2° | 149.3° |
| CAK | CAS | CAN | H19 | 116.5° | 90.7° |
| CAS | CAR | OAD | OAB | 175.8° | 179.9° |
| CAR | CAS | CAK | H11 | 2.9° | 0.2° |
| CAS | CAR | OAB | H12 | 175.8° | 180.0° |
| CAR | CAS | CAN | H13 | 67.3° | 30.6° |
| CAR | CAS | CAN | H19 | 50.0° | 89.4° |
| CAA | CAU | CAW | NAP | 175.9° | 179.9° |
| CAA | CAU | CAW | CAX | 179.9° | 179.8° |
| CAA | CAU | NAP | CAL | 178.4° | 180.0° |
| CAU | CAA | H6 | H7 | 120.0° | 120.0° |
| CAU | CAA | H6 | H8 | 120.0° | 120.0° |
| CAU | CAA | H7 | H8 | 120.0° | 120.0° |
| CAA | CAU | NAP | H18 | 1.6° | 0.1° |
| OAD | CAR | OAB | H12 | 0.0° | 0.1° |
| CAU | CAW | CAX | CAJ | 179.7° | 180.0° |
| CAU | CAW | CAX | CAV | 3.4° | 0.6° |
| CAW | CAU | NAP | CAL | 2.6° | 0.1° |
| CAW | CAU | CAA | H6 | 180.0° | 180.0° |
| CAW | CAU | CAA | H7 | 60.0° | 60.0° |
| CAW | CAU | CAA | H8 | 60.0° | 60.0° |
| CAU | CAW | OAE | H9 | 180.0° | 0.0° |
| CAW | CAU | NAP | H18 | 177.4° | 180.0° |
| CAX | CAW | CAU | NAP | 4.0° | 0.3° |
| CAW | CAX | CAJ | CAV | 176.2° | 179.5° |
| CAW | CAX | CAV | CAL | 1.5° | 0.5° |
| CAW | CAX | CAV | CAM | 178.8° | 179.7° |
| CAX | CAW | OAE | H9 | 3.7° | 179.8° |
| CAW | CAX | CAJ | H10 | 172.2° | 180.0° |
| CAU | NAP | CAL | H18 | 180.0° | 180.0° |
| CAU | NAP | CAL | CAV | 0.8° | 0.0° |
| CAU | NAP | CAL | H5 | 179.2° | 179.9° |
| NAP | CAU | CAA | H6 | 4.1° | 0.1° |
| NAP | CAU | CAA | H7 | 124.1° | 120.1° |
| NAP | CAU | CAA | H8 | 115.9° | 119.9° |
| CAJ | CAX | CAV | CAL | 177.8° | 180.0° |
| CAJ | CAX | CAV | CAM | 4.8° | 0.2° |
| CAX | CAV | CAL | NAP | 0.3° | 0.3° |
| CAX | CAV | CAL | CAM | 177.5° | 179.8° |
| CAX | CAV | CAM | OAQ | 74.9° | 179.7° |
| CAX | CAV | CAM | H3 | 165.5° | 59.8° |
| CAX | CAV | CAM | H4 | 44.7° | 60.2° |
| CAX | CAV | CAL | H5 | 179.8° | 179.7° |
| CAV | CAX | CAJ | H10 | 11.6° | 0.5° |
| NAP | CAL | CAV | H5 | 180.0° | 180.0° |
| NAP | CAL | CAV | CAM | 177.8° | 179.9° |
| CAL | CAV | CAM | OAQ | 102.6° | 0.1° |
| CAL | CAV | CAM | H3 | 17.0° | 120.0° |
| CAL | CAV | CAM | H4 | 137.9° | 120.0° |
| CAV | CAL | NAP | H18 | 179.2° | 180.0° |
| CAV | CAM | OAQ | H3 | 119.5° | 120.0° |
| CAV | CAM | OAQ | H4 | 119.6° | 120.0° |
| CAV | CAM | OAQ | PBA | 153.7° | 180.0° |
| CAV | CAM | H3 | H4 | 121.3° | 120.0° |
| CAM | CAV | CAL | H5 | 2.2° | 0.1° |
| OAI | PBA | OAQ | CAM | 70.5° | 55.0° |
| OAI | PBA | OAQ | OAC | 126.8° | 120.0° |
| OAI | PBA | OAQ | OAH | 109.7° | 120.0° |
| OAI | PBA | OAC | OAH | 116.0° | 120.0° |
| OAI | PBA | OAH | H1 | 0.0° | 59.9° |
| OAI | PBA | OAC | H2 | 0.0° | 180.0° |
| CAM | OAQ | PBA | OAC | 162.6° | 65.0° |
| CAM | OAQ | PBA | OAH | 39.2° | 175.1° |
| OAQ | CAM | H3 | H4 | 121.3° | 120.0° |
| OAQ | PBA | OAC | OAH | 116.7° | 119.9° |
| OAQ | PBA | OAH | H1 | 115.7° | 180.0° |
| OAQ | PBA | OAC | H2 | 127.4° | 60.0° |
| PBA | OAQ | CAM | H3 | 86.7° | 60.0° |
| PBA | OAQ | CAM | H4 | 34.2° | 60.0° |
| OAC | PBA | OAH | H1 | 119.9° | 60.1° |
| OAH | PBA | OAC | H2 | 116.0° | 59.9° |
| H5 | CAL | NAP | H18 | 0.8° | 0.0° |
| H6 | CAA | H7 | H8 | 120.0° | 120.0° |
| H13 | CAN | CAY | H14 | 132.8° | 57.6° |
| H14 | CAY | OAF | H15 | 60.3° | 59.8° |
| H14 | CAY | CAZ | H16 | 154.1° | 177.4° |
| H14 | CAY | CAN | H19 | 15.6° | 177.7° |
| H16 | CAZ | OAG | H17 | 66.3° | 59.9° |
