XPN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | P | doub | 1.48Å | 1.53Å | |
| O1 | P | sing | 1.61Å | 1.49Å | |
| P | O2 | sing | 1.61Å | 1.52Å | |
| P | O4 | sing | 1.61Å | 1.61Å | |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | O4 | sing | 1.36Å | 1.40Å | |
| C4 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | N1 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C3 | sing | 1.47Å | 1.44Å | Aromatic |
| N1 | C2 | sing | 1.37Å | 1.36Å | Aromatic |
| C3 | C2 | doub | 1.34Å | 1.37Å | Aromatic |
| C3 | CB | sing | 1.51Å | 1.51Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CM | N | sing | 1.47Å | 1.48Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | P | O1 | 111.1° | 109.5° |
| O3 | P | O2 | 110.8° | 109.5° |
| O3 | P | O4 | 109.2° | 109.5° |
| O1 | P | O2 | 115.2° | 109.5° |
| O1 | P | O4 | 104.3° | 109.5° |
| P | O1 | H3 | 109.5° | 114.0° |
| O2 | P | O4 | 105.7° | 109.5° |
| P | O2 | H8 | 109.5° | 114.0° |
| P | O4 | C4 | 123.2° | 114.0° |
| C5 | C6 | C7 | 122.9° | 120.7° |
| C6 | C5 | C4 | 118.4° | 120.3° |
| C6 | C5 | H5 | 120.8° | 119.9° |
| C5 | C6 | H6 | 118.6° | 119.6° |
| C6 | C7 | C8 | 117.9° | 120.0° |
| C7 | C6 | H6 | 118.6° | 119.7° |
| C6 | C7 | H7 | 121.1° | 120.0° |
| C5 | C4 | O4 | 122.5° | 120.2° |
| C5 | C4 | C9 | 121.0° | 119.5° |
| C4 | C5 | H5 | 120.8° | 119.8° |
| C7 | C8 | C9 | 121.5° | 119.5° |
| C7 | C8 | N1 | 130.3° | 133.4° |
| C8 | C7 | H7 | 121.0° | 120.0° |
| O4 | C4 | C9 | 116.5° | 120.3° |
| C4 | C9 | C8 | 118.3° | 119.9° |
| C4 | C9 | C3 | 135.1° | 133.9° |
| C9 | C8 | N1 | 108.1° | 107.1° |
| C8 | C9 | C3 | 106.6° | 106.1° |
| C8 | N1 | C2 | 108.9° | 109.9° |
| C8 | N1 | H1 | 125.6° | 125.1° |
| C9 | C3 | C2 | 106.1° | 107.0° |
| C9 | C3 | CB | 126.5° | 126.5° |
| N1 | C2 | C3 | 110.3° | 109.9° |
| N1 | C2 | H2 | 124.9° | 125.0° |
| C2 | N1 | H1 | 125.5° | 125.0° |
| C2 | C3 | CB | 127.4° | 126.5° |
| C3 | C2 | H2 | 124.8° | 125.1° |
| C3 | CB | CA | 105.5° | 109.4° |
| C3 | CB | HB1 | 110.5° | 109.5° |
| C3 | CB | HB2 | 110.5° | 109.5° |
| CB | CA | N | 116.4° | 109.5° |
| CB | CA | HA1 | 107.7° | 109.5° |
| CB | CA | HA2 | 107.7° | 109.5° |
| CA | CB | HB1 | 110.4° | 109.4° |
| CA | CB | HB2 | 110.5° | 109.5° |
| CM | N | CA | 112.4° | 111.0° |
| CM | N | HN | 108.8° | 111.0° |
| N | CM | HM2 | 109.5° | 109.5° |
| N | CM | HM1 | 109.5° | 109.5° |
| N | CM | HM3 | 109.4° | 109.5° |
| CA | N | HN | 108.7° | 111.0° |
| N | CA | HA1 | 107.7° | 109.5° |
| N | CA | HA2 | 107.7° | 109.4° |
| HA1 | CA | HA2 | 109.5° | 109.5° |
| HB1 | CB | HB2 | 109.5° | 109.5° |
| HM2 | CM | HM1 | 109.5° | 109.5° |
| HM2 | CM | HM3 | 109.5° | 109.4° |
| HM1 | CM | HM3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | P | O1 | O2 | 127.1° | 120.0° |
| O3 | P | O1 | O4 | 117.6° | 120.0° |
| O3 | P | O2 | O4 | 118.3° | 120.0° |
| O3 | P | O4 | C4 | 38.4° | 56.8° |
| O3 | P | O1 | H3 | 0.0° | 180.0° |
| O3 | P | O2 | H8 | 0.0° | 60.0° |
| O1 | P | O2 | O4 | 114.5° | 120.0° |
| O1 | P | O4 | C4 | 157.3° | 63.2° |
| O1 | P | O2 | H8 | 127.2° | 60.0° |
| O2 | P | O4 | C4 | 80.9° | 176.8° |
| O2 | P | O1 | H3 | 127.1° | 60.0° |
| P | O4 | C4 | C5 | 33.8° | 73.7° |
| P | O4 | C4 | C9 | 143.0° | 106.3° |
| O4 | P | O1 | H3 | 117.6° | 60.0° |
| O4 | P | O2 | H8 | 118.3° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.6° | 0.1° |
| C6 | C5 | C4 | O4 | 176.7° | 180.0° |
| C6 | C5 | C4 | C9 | 0.1° | 0.0° |
| C5 | C6 | C7 | H7 | 179.4° | 180.0° |
| C7 | C6 | C5 | C4 | 0.3° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 1.9° | 0.0° |
| C6 | C7 | C8 | N1 | 179.1° | 179.8° |
| C7 | C6 | C5 | H5 | 179.7° | 180.0° |
| C5 | C4 | O4 | C9 | 176.8° | 180.0° |
| C5 | C4 | C9 | C8 | 1.2° | 0.0° |
| C5 | C4 | C9 | C3 | 179.2° | 180.0° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C7 | C8 | C9 | C4 | 2.2° | 0.0° |
| C7 | C8 | C9 | N1 | 179.2° | 179.8° |
| C7 | C8 | C9 | C3 | 179.3° | 180.0° |
| C7 | C8 | N1 | C2 | 179.3° | 179.9° |
| C8 | C7 | C6 | H6 | 179.4° | 180.0° |
| C7 | C8 | N1 | H1 | 0.6° | 0.3° |
| O4 | C4 | C9 | C8 | 178.1° | 180.0° |
| O4 | C4 | C9 | C3 | 4.0° | 0.0° |
| O4 | C4 | C5 | H5 | 3.3° | 0.0° |
| C4 | C9 | C8 | C3 | 178.5° | 180.0° |
| C4 | C9 | C8 | N1 | 178.6° | 179.8° |
| C4 | C9 | C3 | C2 | 178.1° | 180.0° |
| C4 | C9 | C3 | CB | 1.5° | 0.2° |
| C9 | C4 | C5 | H5 | 179.9° | 180.0° |
| C9 | C8 | N1 | C2 | 0.2° | 0.4° |
| C8 | C9 | C3 | C2 | 0.1° | 0.0° |
| C8 | C9 | C3 | CB | 176.6° | 179.8° |
| C9 | C8 | C7 | H7 | 178.2° | 180.0° |
| C9 | C8 | N1 | H1 | 179.8° | 179.9° |
| N1 | C8 | C9 | C3 | 0.1° | 0.2° |
| C8 | N1 | C2 | H1 | 180.0° | 179.5° |
| C8 | N1 | C2 | C3 | 0.3° | 0.4° |
| N1 | C8 | C7 | H7 | 0.9° | 0.3° |
| C8 | N1 | C2 | H2 | 179.7° | 179.6° |
| C9 | C3 | C2 | N1 | 0.2° | 0.3° |
| C9 | C3 | C2 | CB | 176.5° | 179.8° |
| C9 | C3 | CB | CA | 83.0° | 82.2° |
| C9 | C3 | CB | HB1 | 36.3° | 157.9° |
| C9 | C3 | CB | HB2 | 157.6° | 37.8° |
| C9 | C3 | C2 | H2 | 179.8° | 179.8° |
| N1 | C2 | C3 | H2 | 180.0° | 179.9° |
| N1 | C2 | C3 | CB | 176.7° | 180.0° |
| C2 | C3 | CB | CA | 92.8° | 97.5° |
| C2 | C3 | CB | HB1 | 147.8° | 22.4° |
| C2 | C3 | CB | HB2 | 26.6° | 142.5° |
| C3 | C2 | N1 | H1 | 179.7° | 179.9° |
| C3 | CB | CA | HB1 | 119.4° | 119.9° |
| C3 | CB | CA | HB2 | 119.4° | 120.0° |
| C3 | CB | CA | N | 175.0° | 175.2° |
| C3 | CB | CA | HA1 | 64.0° | 64.8° |
| C3 | CB | CA | HA2 | 54.0° | 55.2° |
| C3 | CB | HB1 | HB2 | 121.9° | 120.1° |
| CB | C3 | C2 | H2 | 3.3° | 0.0° |
| CB | CA | N | CM | 56.4° | 180.0° |
| CB | CA | N | HA1 | 121.0° | 120.0° |
| CB | CA | N | HA2 | 121.0° | 120.0° |
| CB | CA | N | HN | 176.9° | 56.0° |
| CB | CA | HA1 | HA2 | 116.9° | 120.1° |
| CA | CB | HB1 | HB2 | 121.8° | 120.0° |
| CM | N | CA | HN | 120.5° | 124.0° |
| CM | N | CA | HA1 | 177.4° | 60.0° |
| CM | N | CA | HA2 | 64.6° | 60.0° |
| N | CM | HM2 | HM1 | 120.0° | 120.0° |
| N | CM | HM2 | HM3 | 120.0° | 120.0° |
| N | CM | HM1 | HM3 | 120.0° | 120.0° |
| N | CA | HA1 | HA2 | 116.8° | 120.0° |
| N | CA | CB | HB1 | 55.6° | 64.9° |
| N | CA | CB | HB2 | 65.6° | 55.2° |
| CA | N | CM | HM2 | 180.0° | 60.0° |
| CA | N | CM | HM1 | 60.0° | 60.0° |
| CA | N | CM | HM3 | 60.0° | 180.0° |
| H5 | C5 | C6 | H6 | 0.3° | 0.0° |
| H6 | C6 | C7 | H7 | 0.6° | 0.0° |
| HN | N | CA | HA1 | 62.1° | 176.0° |
| HN | N | CA | HA2 | 55.9° | 64.0° |
| HN | N | CM | HM2 | 59.5° | 63.9° |
| HN | N | CM | HM1 | 60.4° | 176.0° |
| HN | N | CM | HM3 | 179.6° | 56.0° |
| HA1 | CA | CB | HB1 | 176.6° | 55.1° |
| HA1 | CA | CB | HB2 | 55.4° | 175.2° |
| HA2 | CA | CB | HB1 | 65.4° | 175.1° |
| HA2 | CA | CB | HB2 | 173.4° | 64.8° |
| H2 | C2 | N1 | H1 | 0.3° | 0.1° |
| HM2 | CM | HM1 | HM3 | 120.0° | 120.0° |
