P0B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAS | doub | 1.22Å | 1.44Å | |
| CAS | NAM | sing | 1.35Å | 1.33Å | |
| CAS | NAL | sing | 1.35Å | 1.32Å | |
| NAM | CAR | sing | 1.35Å | 1.32Å | |
| NAL | CAP | sing | 1.37Å | 1.32Å | |
| CL1 | CAO | sing | 1.74Å | 1.78Å | |
| CAR | OAB | doub | 1.22Å | 1.39Å | |
| CAR | CAI | sing | 1.42Å | 1.39Å | |
| CAP | CAI | doub | 1.35Å | 1.40Å | |
| CAP | CAJ | sing | 1.51Å | 1.54Å | |
| CAA | NAT | sing | 1.47Å | 1.45Å | |
| NAT | CAJ | sing | 1.47Å | 1.52Å | |
| NAT | CAK | sing | 1.47Å | 1.48Å | |
| CAO | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAF | sing | 1.38Å | 1.42Å | Aromatic |
| CAK | CAQ | sing | 1.51Å | 1.59Å | |
| CAQ | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAG | doub | 1.38Å | 1.37Å | Aromatic |
| CAN | CAG | sing | 1.38Å | 1.42Å | Aromatic |
| CAN | FAD | sing | 1.35Å | 1.33Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| 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 | |
| NAM | H13 | sing | 0.97Å | 1.00Å | |
| NAL | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAS | NAM | 120.5° | 119.6° |
| OAC | CAS | NAL | 118.2° | 119.5° |
| NAM | CAS | NAL | 121.3° | 120.9° |
| CAS | NAM | CAR | 121.5° | 120.3° |
| CAS | NAM | H13 | 119.3° | 119.9° |
| CAS | NAL | CAP | 120.2° | 120.6° |
| CAS | NAL | H8 | 119.9° | 119.7° |
| NAM | CAR | OAB | 119.0° | 120.3° |
| NAM | CAR | CAI | 119.3° | 119.4° |
| CAR | NAM | H13 | 119.3° | 119.9° |
| NAL | CAP | CAI | 120.6° | 119.7° |
| NAL | CAP | CAJ | 119.6° | 120.1° |
| CAP | NAL | H8 | 119.9° | 119.7° |
| CL1 | CAO | CAH | 120.1° | 120.0° |
| CL1 | CAO | CAQ | 119.4° | 120.0° |
| OAB | CAR | CAI | 121.6° | 120.4° |
| CAR | CAI | CAP | 117.0° | 119.1° |
| CAR | CAI | H7 | 121.5° | 120.4° |
| CAI | CAP | CAJ | 119.8° | 120.1° |
| CAP | CAI | H7 | 121.5° | 120.5° |
| CAP | CAJ | NAT | 108.5° | 109.5° |
| CAP | CAJ | H9 | 109.7° | 109.5° |
| CAP | CAJ | H10 | 109.7° | 109.5° |
| CAA | NAT | CAJ | 108.2° | 111.0° |
| CAA | NAT | CAK | 112.6° | 111.0° |
| NAT | CAA | H1 | 109.5° | 109.5° |
| NAT | CAA | H2 | 109.4° | 109.4° |
| NAT | CAA | H3 | 109.5° | 109.4° |
| CAJ | NAT | CAK | 110.1° | 111.0° |
| NAT | CAJ | H9 | 109.7° | 109.5° |
| NAT | CAJ | H10 | 109.7° | 109.4° |
| NAT | CAK | CAQ | 108.3° | 109.5° |
| NAT | CAK | H11 | 109.8° | 109.4° |
| NAT | CAK | H12 | 109.8° | 109.5° |
| CAH | CAO | CAQ | 120.5° | 120.0° |
| CAO | CAH | CAF | 119.7° | 120.0° |
| CAO | CAH | H6 | 120.1° | 120.0° |
| CAO | CAQ | CAK | 119.4° | 120.0° |
| CAO | CAQ | CAN | 119.2° | 120.0° |
| CAH | CAF | CAG | 120.2° | 120.0° |
| CAH | CAF | H4 | 119.9° | 119.9° |
| CAF | CAH | H6 | 120.1° | 119.9° |
| CAK | CAQ | CAN | 121.3° | 120.1° |
| CAQ | CAK | H11 | 109.8° | 109.4° |
| CAQ | CAK | H12 | 109.8° | 109.5° |
| CAQ | CAN | CAG | 120.5° | 120.0° |
| CAQ | CAN | FAD | 119.7° | 120.0° |
| CAF | CAG | CAN | 119.8° | 120.0° |
| CAG | CAF | H4 | 119.9° | 120.0° |
| CAF | CAG | H5 | 120.1° | 120.0° |
| CAG | CAN | FAD | 119.8° | 120.0° |
| CAN | CAG | H5 | 120.1° | 120.0° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H9 | CAJ | H10 | 109.5° | 109.5° |
| H11 | CAK | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAS | NAM | NAL | 179.6° | 179.7° |
| OAC | CAS | NAM | CAR | 179.4° | 180.0° |
| OAC | CAS | NAL | CAP | 178.6° | 180.0° |
| OAC | CAS | NAM | H13 | 0.6° | 0.2° |
| OAC | CAS | NAL | H8 | 1.4° | 0.3° |
| CAS | NAM | CAR | H13 | 180.0° | 179.8° |
| NAM | CAS | NAL | CAP | 1.8° | 0.3° |
| CAS | NAM | CAR | OAB | 179.7° | 180.0° |
| CAS | NAM | CAR | CAI | 0.2° | 0.0° |
| NAM | CAS | NAL | H8 | 178.1° | 180.0° |
| NAL | CAS | NAM | CAR | 1.1° | 0.3° |
| CAS | NAL | CAP | H8 | 180.0° | 179.7° |
| CAS | NAL | CAP | CAI | 1.7° | 0.0° |
| CAS | NAL | CAP | CAJ | 179.0° | 180.0° |
| NAL | CAS | NAM | H13 | 179.0° | 180.0° |
| NAM | CAR | OAB | CAI | 179.8° | 180.0° |
| NAM | CAR | CAI | CAP | 0.0° | 0.3° |
| NAM | CAR | CAI | H7 | 179.9° | 180.0° |
| NAL | CAP | CAI | CAR | 0.8° | 0.3° |
| NAL | CAP | CAI | CAJ | 179.3° | 180.0° |
| NAL | CAP | CAJ | NAT | 43.9° | 65.2° |
| NAL | CAP | CAI | H7 | 179.2° | 180.0° |
| NAL | CAP | CAJ | H9 | 75.9° | 54.8° |
| NAL | CAP | CAJ | H10 | 163.8° | 174.9° |
| CL1 | CAO | CAH | CAQ | 179.2° | 179.5° |
| CL1 | CAO | CAH | CAF | 179.8° | 180.0° |
| CL1 | CAO | CAQ | CAK | 1.5° | 0.5° |
| CL1 | CAO | CAQ | CAN | 180.0° | 179.7° |
| CL1 | CAO | CAH | H6 | 0.2° | 0.0° |
| OAB | CAR | CAI | CAP | 179.8° | 179.8° |
| OAB | CAR | CAI | H7 | 0.3° | 0.0° |
| OAB | CAR | NAM | H13 | 0.3° | 0.2° |
| CAR | CAI | CAP | H7 | 180.0° | 179.7° |
| CAR | CAI | CAP | CAJ | 179.9° | 179.7° |
| CAI | CAR | NAM | H13 | 179.9° | 179.7° |
| CAI | CAP | CAJ | NAT | 135.3° | 114.8° |
| CAI | CAP | CAJ | H9 | 104.9° | 125.2° |
| CAI | CAP | CAJ | H10 | 15.5° | 5.2° |
| CAI | CAP | NAL | H8 | 178.3° | 179.7° |
| CAP | CAJ | NAT | CAA | 136.6° | 164.2° |
| CAP | CAJ | NAT | H9 | 119.8° | 120.0° |
| CAP | CAJ | NAT | H10 | 119.8° | 120.0° |
| CAP | CAJ | NAT | CAK | 100.0° | 71.9° |
| CAJ | CAP | CAI | H7 | 0.1° | 0.0° |
| CAP | CAJ | H9 | H10 | 120.4° | 120.0° |
| CAJ | CAP | NAL | H8 | 1.0° | 0.3° |
| CAA | NAT | CAJ | CAK | 123.4° | 123.9° |
| CAA | NAT | CAK | CAQ | 175.7° | 66.1° |
| NAT | CAA | H1 | H2 | 120.0° | 120.0° |
| NAT | CAA | H1 | H3 | 120.0° | 120.0° |
| NAT | CAA | H2 | H3 | 120.0° | 119.9° |
| CAA | NAT | CAJ | H9 | 16.8° | 44.2° |
| CAA | NAT | CAJ | H10 | 103.5° | 75.8° |
| CAA | NAT | CAK | H11 | 64.5° | 174.0° |
| CAA | NAT | CAK | H12 | 55.8° | 53.9° |
| CAJ | NAT | CAK | CAQ | 54.9° | 170.0° |
| CAJ | NAT | CAA | H1 | 180.0° | 66.5° |
| CAJ | NAT | CAA | H2 | 60.0° | 173.4° |
| CAJ | NAT | CAA | H3 | 60.0° | 53.5° |
| NAT | CAJ | H9 | H10 | 120.5° | 120.0° |
| CAJ | NAT | CAK | H11 | 174.7° | 50.0° |
| CAJ | NAT | CAK | H12 | 64.9° | 70.0° |
| NAT | CAK | CAQ | CAO | 72.7° | 90.0° |
| NAT | CAK | CAQ | H11 | 119.8° | 120.0° |
| NAT | CAK | CAQ | H12 | 119.8° | 120.0° |
| NAT | CAK | CAQ | CAN | 105.7° | 90.8° |
| CAK | NAT | CAA | H1 | 58.1° | 57.4° |
| CAK | NAT | CAA | H2 | 178.1° | 62.6° |
| CAK | NAT | CAA | H3 | 61.9° | 177.4° |
| CAK | NAT | CAJ | H9 | 140.2° | 168.1° |
| CAK | NAT | CAJ | H10 | 19.8° | 48.1° |
| NAT | CAK | H11 | H12 | 120.5° | 120.0° |
| CAO | CAH | CAF | H6 | 180.0° | 180.0° |
| CAH | CAO | CAQ | CAK | 179.3° | 180.0° |
| CAH | CAO | CAQ | CAN | 0.9° | 0.8° |
| CAO | CAH | CAF | CAG | 0.7° | 0.0° |
| CAO | CAH | CAF | H4 | 179.2° | 179.8° |
| CAQ | CAO | CAH | CAF | 1.0° | 0.5° |
| CAO | CAQ | CAK | CAN | 178.4° | 179.2° |
| CAO | CAQ | CAN | CAG | 0.4° | 0.5° |
| CAO | CAQ | CAN | FAD | 179.7° | 179.5° |
| CAQ | CAO | CAH | H6 | 179.0° | 179.5° |
| CAO | CAQ | CAK | H11 | 47.1° | 150.1° |
| CAO | CAQ | CAK | H12 | 167.4° | 30.1° |
| CAH | CAF | CAG | H4 | 180.0° | 179.8° |
| CAH | CAF | CAG | CAN | 0.3° | 0.3° |
| CAH | CAF | CAG | H5 | 179.7° | 179.8° |
| CAK | CAQ | CAN | CAG | 178.8° | 179.7° |
| CAK | CAQ | CAN | FAD | 1.3° | 0.2° |
| CAQ | CAK | H11 | H12 | 120.5° | 120.0° |
| CAQ | CAN | CAG | CAF | 0.2° | 0.1° |
| CAQ | CAN | CAG | FAD | 179.8° | 180.0° |
| CAQ | CAN | CAG | H5 | 179.8° | 180.0° |
| CAN | CAQ | CAK | H11 | 134.5° | 29.2° |
| CAN | CAQ | CAK | H12 | 14.2° | 149.2° |
| CAF | CAG | CAN | H5 | 180.0° | 179.9° |
| CAF | CAG | CAN | FAD | 180.0° | 180.0° |
| CAG | CAF | CAH | H6 | 179.3° | 180.0° |
| CAN | CAG | CAF | H4 | 179.7° | 179.9° |
| FAD | CAN | CAG | H5 | 0.0° | 0.1° |
| H1 | CAA | H2 | H3 | 120.0° | 120.1° |
| H4 | CAF | CAG | H5 | 0.4° | 0.0° |
| H4 | CAF | CAH | H6 | 0.7° | 0.2° |
