ONP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BE | F1 | sing | 1.55Å | 1.50Å | |
| BE | F2 | sing | 1.55Å | 1.49Å | |
| BE | F3 | sing | 1.55Å | 1.51Å | |
| BE | OB3 | sing | 1.63Å | 1.59Å | |
| PB | OB1 | doub | 1.49Å | 1.49Å | |
| PB | OB2 | sing | 1.56Å | 1.53Å | |
| PB | OB3 | sing | 1.49Å | 1.61Å | |
| PB | OA3 | sing | 1.61Å | 1.61Å | |
| OB2 | HOB2 | sing | 0.86Å | 0.95Å | |
| OA3 | PA | sing | 1.59Å | 1.57Å | |
| PA | OA1 | sing | 1.52Å | 1.57Å | |
| PA | OA2 | doub | 1.48Å | 1.48Å | |
| PA | OE2 | sing | 1.58Å | 1.61Å | |
| OA1 | HOA2 | sing | 0.89Å | 0.95Å | |
| OE2 | CA1 | sing | 1.42Å | 1.41Å | |
| NA3 | CA2 | sing | 1.46Å | 1.44Å | |
| NA3 | C1 | sing | 1.37Å | 1.41Å | |
| NA3 | HNA1 | sing | 0.88Å | 1.02Å | |
| CA2 | CA1 | sing | 1.51Å | 1.51Å | |
| CA2 | HA21 | sing | 0.98Å | 1.11Å | |
| CA2 | HA22 | sing | 0.98Å | 1.11Å | |
| CA1 | HA11 | sing | 0.98Å | 1.11Å | |
| CA1 | HA12 | sing | 0.98Å | 1.12Å | |
| C1 | C6 | doub | 1.43Å | 1.36Å | Aromatic |
| C1 | C2 | sing | 1.44Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 0.94Å | 1.10Å | |
| C5 | C4 | doub | 1.37Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 0.94Å | 1.10Å | |
| C4 | C3 | sing | 1.37Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 0.94Å | 1.10Å | |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 0.94Å | 1.10Å | |
| C2 | N2 | sing | 1.48Å | 1.48Å | |
| N2 | O2A | doub | 1.22Å | 1.23Å | |
| N2 | O2B | sing | 1.22Å | 1.28Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | BE | F2 | 107.6° | 108.7° |
| F1 | BE | F3 | 115.1° | 108.8° |
| F1 | BE | OB3 | 106.9° | 108.7° |
| F2 | BE | F3 | 109.6° | 109.6° |
| F2 | BE | OB3 | 109.1° | 110.9° |
| F3 | BE | OB3 | 108.4° | 110.1° |
| BE | OB3 | PB | 130.9° | 112.2° |
| OB1 | PB | OB2 | 113.4° | 110.4° |
| OB1 | PB | OB3 | 112.0° | 116.4° |
| OB1 | PB | OA3 | 107.0° | 107.8° |
| OB2 | PB | OB3 | 113.1° | 110.4° |
| OB2 | PB | OA3 | 106.4° | 103.2° |
| PB | OB2 | HOB2 | 113.5° | 110.8° |
| OB3 | PB | OA3 | 104.0° | 107.6° |
| PB | OA3 | PA | 129.9° | 132.1° |
| OA3 | PA | OA1 | 111.0° | 105.2° |
| OA3 | PA | OA2 | 107.9° | 109.4° |
| OA3 | PA | OE2 | 109.7° | 103.7° |
| OA1 | PA | OA2 | 112.0° | 114.2° |
| OA1 | PA | OE2 | 105.1° | 108.0° |
| PA | OA1 | HOA2 | 111.0° | 113.5° |
| OA2 | PA | OE2 | 111.1° | 115.2° |
| PA | OE2 | CA1 | 117.9° | 121.2° |
| OE2 | CA1 | CA2 | 109.1° | 110.0° |
| OE2 | CA1 | HA11 | 112.3° | 109.5° |
| OE2 | CA1 | HA12 | 112.3° | 109.5° |
| CA2 | NA3 | C1 | 110.9° | 131.2° |
| CA2 | NA3 | HNA1 | 111.7° | 115.3° |
| NA3 | CA2 | CA1 | 108.6° | 113.9° |
| NA3 | CA2 | HA21 | 112.5° | 109.5° |
| NA3 | CA2 | HA22 | 112.5° | 109.0° |
| C1 | NA3 | HNA1 | 111.7° | 113.5° |
| NA3 | C1 | C6 | 119.5° | 121.8° |
| NA3 | C1 | C2 | 120.8° | 122.6° |
| CA1 | CA2 | HA21 | 112.5° | 108.0° |
| CA1 | CA2 | HA22 | 112.5° | 108.6° |
| CA2 | CA1 | HA11 | 112.4° | 109.7° |
| CA2 | CA1 | HA12 | 112.3° | 109.6° |
| HA21 | CA2 | HA22 | 98.0° | 107.6° |
| HA11 | CA1 | HA12 | 98.1° | 108.7° |
| C6 | C1 | C2 | 119.6° | 115.6° |
| C1 | C6 | C5 | 119.5° | 121.9° |
| C1 | C6 | H6 | 118.0° | 119.5° |
| C1 | C2 | C3 | 121.3° | 120.7° |
| C1 | C2 | N2 | 118.1° | 122.2° |
| C5 | C6 | H6 | 122.4° | 118.6° |
| C6 | C5 | C4 | 121.8° | 120.8° |
| C6 | C5 | H5 | 120.1° | 119.5° |
| C4 | C5 | H5 | 118.0° | 119.7° |
| C5 | C4 | C3 | 118.0° | 120.3° |
| C5 | C4 | H4 | 120.3° | 120.0° |
| C3 | C4 | H4 | 121.7° | 119.7° |
| C4 | C3 | C2 | 119.6° | 120.7° |
| C4 | C3 | H3 | 120.9° | 119.3° |
| C2 | C3 | H3 | 119.5° | 120.0° |
| C3 | C2 | N2 | 120.6° | 117.1° |
| C2 | N2 | O2A | 115.5° | 118.5° |
| C2 | N2 | O2B | 116.9° | 119.9° |
| O2A | N2 | O2B | 127.5° | 121.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | BE | F2 | F3 | 125.8° | 118.8° |
| F1 | BE | F2 | OB3 | 115.6° | 119.5° |
| F1 | BE | F3 | OB3 | 119.6° | 119.0° |
| F1 | BE | OB3 | PB | 83.3° | 171.0° |
| F2 | BE | F3 | OB3 | 119.0° | 122.3° |
| F2 | BE | OB3 | PB | 32.7° | 51.5° |
| F3 | BE | OB3 | PB | 152.0° | 70.0° |
| BE | OB3 | PB | OB1 | 102.5° | 67.4° |
| BE | OB3 | PB | OB2 | 27.3° | 165.7° |
| BE | OB3 | PB | OA3 | 142.2° | 53.7° |
| OB1 | PB | OB2 | OB3 | 129.0° | 130.2° |
| OB1 | PB | OB2 | OA3 | 117.4° | 115.0° |
| OB1 | PB | OB3 | OA3 | 115.3° | 121.1° |
| OB1 | PB | OB2 | HOB2 | 180.0° | 59.9° |
| OB1 | PB | OA3 | PA | 117.4° | 23.4° |
| OB2 | PB | OB3 | OA3 | 115.0° | 112.0° |
| OB2 | PB | OA3 | PA | 4.2° | 93.5° |
| OB3 | PB | OB2 | HOB2 | 51.0° | 70.3° |
| OB3 | PB | OA3 | PA | 123.9° | 149.8° |
| OA3 | PB | OB2 | HOB2 | 62.6° | 175.0° |
| PB | OA3 | PA | OA1 | 49.9° | 36.8° |
| PB | OA3 | PA | OA2 | 73.1° | 86.4° |
| PB | OA3 | PA | OE2 | 165.7° | 150.2° |
| OA3 | PA | OA1 | OA2 | 120.7° | 120.0° |
| OA3 | PA | OA1 | OE2 | 118.5° | 110.3° |
| OA3 | PA | OA2 | OE2 | 120.3° | 116.4° |
| OA3 | PA | OA1 | HOA2 | 180.0° | 177.8° |
| OA3 | PA | OE2 | CA1 | 54.2° | 174.3° |
| OA1 | PA | OA2 | OE2 | 117.3° | 126.0° |
| OA1 | PA | OE2 | CA1 | 173.6° | 74.3° |
| OA2 | PA | OA1 | HOA2 | 59.3° | 57.8° |
| OA2 | PA | OE2 | CA1 | 65.0° | 54.8° |
| OE2 | PA | OA1 | HOA2 | 61.5° | 71.9° |
| PA | OE2 | CA1 | CA2 | 145.7° | 172.1° |
| PA | OE2 | CA1 | HA11 | 20.5° | 51.5° |
| PA | OE2 | CA1 | HA12 | 89.0° | 67.5° |
| OE2 | CA1 | CA2 | NA3 | 45.4° | 68.3° |
| OE2 | CA1 | CA2 | HA11 | 125.2° | 120.5° |
| OE2 | CA1 | CA2 | HA12 | 125.2° | 120.4° |
| OE2 | CA1 | CA2 | HA21 | 170.6° | 169.8° |
| OE2 | CA1 | CA2 | HA22 | 79.9° | 53.3° |
| OE2 | CA1 | HA11 | HA12 | 118.2° | 119.5° |
| CA2 | NA3 | C1 | HNA1 | 125.3° | 177.9° |
| NA3 | CA2 | CA1 | HA21 | 125.2° | 121.9° |
| NA3 | CA2 | CA1 | HA22 | 125.2° | 121.6° |
| NA3 | CA2 | HA21 | HA22 | 118.5° | 118.3° |
| NA3 | CA2 | CA1 | HA11 | 170.6° | 171.3° |
| NA3 | CA2 | CA1 | HA12 | 79.9° | 52.1° |
| CA2 | NA3 | C1 | C6 | 4.4° | 4.5° |
| CA2 | NA3 | C1 | C2 | 179.1° | 174.9° |
| C1 | NA3 | CA2 | CA1 | 174.4° | 149.7° |
| C1 | NA3 | CA2 | HA21 | 49.2° | 28.6° |
| C1 | NA3 | CA2 | HA22 | 60.4° | 88.9° |
| NA3 | C1 | C6 | C2 | 176.5° | 179.5° |
| NA3 | C1 | C6 | C5 | 179.5° | 179.9° |
| NA3 | C1 | C6 | H6 | 0.4° | 0.6° |
| NA3 | C1 | C2 | C3 | 178.4° | 179.8° |
| NA3 | C1 | C2 | N2 | 0.9° | 0.4° |
| HNA1 | NA3 | CA2 | CA1 | 60.3° | 32.4° |
| HNA1 | NA3 | CA2 | HA21 | 174.5° | 153.5° |
| HNA1 | NA3 | CA2 | HA22 | 64.9° | 89.0° |
| HNA1 | NA3 | C1 | C6 | 129.7° | 173.4° |
| HNA1 | NA3 | C1 | C2 | 53.8° | 7.2° |
| CA1 | CA2 | HA21 | HA22 | 118.5° | 117.1° |
| CA2 | CA1 | HA11 | HA12 | 118.3° | 119.7° |
| HA21 | CA2 | CA1 | HA11 | 64.2° | 49.3° |
| HA21 | CA2 | CA1 | HA12 | 45.4° | 69.9° |
| HA22 | CA2 | CA1 | HA11 | 45.4° | 67.1° |
| HA22 | CA2 | CA1 | HA12 | 154.9° | 173.7° |
| C1 | C6 | C5 | H6 | 180.0° | 179.5° |
| C1 | C6 | C5 | C4 | 1.1° | 0.3° |
| C1 | C6 | C5 | H5 | 178.9° | 179.8° |
| C6 | C1 | C2 | C3 | 1.9° | 0.4° |
| C6 | C1 | C2 | N2 | 177.3° | 179.9° |
| C2 | C1 | C6 | C5 | 3.0° | 0.4° |
| C2 | C1 | C6 | H6 | 176.9° | 179.9° |
| C1 | C2 | C3 | C4 | 1.2° | 0.2° |
| C1 | C2 | C3 | N2 | 179.3° | 179.8° |
| C1 | C2 | C3 | H3 | 178.8° | 179.9° |
| C1 | C2 | N2 | O2A | 176.1° | 0.1° |
| C1 | C2 | N2 | O2B | 1.2° | 179.9° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 2.0° | 0.1° |
| C6 | C5 | C4 | H4 | 178.0° | 179.9° |
| H6 | C6 | C5 | C4 | 178.9° | 179.8° |
| H6 | C6 | C5 | H5 | 1.1° | 0.3° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 3.1° | 0.1° |
| C5 | C4 | C3 | H3 | 176.9° | 180.0° |
| H5 | C5 | C4 | C3 | 178.0° | 180.0° |
| H5 | C5 | C4 | H4 | 2.0° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | N2 | 179.5° | 180.0° |
| H4 | C4 | C3 | C2 | 176.9° | 180.0° |
| H4 | C4 | C3 | H3 | 3.1° | 0.1° |
| C3 | C2 | N2 | O2A | 3.1° | 179.7° |
| C3 | C2 | N2 | O2B | 179.5° | 0.3° |
| H3 | C3 | C2 | N2 | 0.5° | 0.1° |
| C2 | N2 | O2A | O2B | 177.0° | 180.0° |
