X8Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM | N | sing | 1.47Å | 1.48Å | |
| N | CN | sing | 1.47Å | 1.48Å | |
| N | CA | sing | 1.47Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CB | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | doub | 1.34Å | 1.37Å | Aromatic |
| C2 | N1 | sing | 1.37Å | 1.36Å | Aromatic |
| N1 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | O4 | sing | 1.36Å | 1.43Å | |
| O4 | P | sing | 1.61Å | 1.66Å | |
| P | O1 | doub | 1.48Å | 1.51Å | |
| P | O3 | sing | 1.61Å | 1.51Å | |
| P | O2 | sing | 1.61Å | 1.51Å | |
| C9 | C3 | sing | 1.46Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CN | HN3 | sing | 1.09Å | 1.10Å | |
| CN | HN2 | sing | 1.09Å | 1.10Å | |
| CN | HN1 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM | N | CN | 109.3° | 111.0° |
| CM | N | CA | 112.1° | 111.0° |
| N | CM | HM1 | 109.5° | 109.5° |
| N | CM | HM3 | 109.5° | 109.5° |
| N | CM | HM2 | 109.5° | 109.5° |
| CN | N | CA | 110.9° | 111.0° |
| N | CN | HN3 | 109.5° | 109.4° |
| N | CN | HN2 | 109.5° | 109.5° |
| N | CN | HN1 | 109.5° | 109.5° |
| N | CA | CB | 113.4° | 109.5° |
| N | CA | HA2 | 108.5° | 109.5° |
| N | CA | HA1 | 108.5° | 109.5° |
| CA | CB | C3 | 109.0° | 109.5° |
| CB | CA | HA2 | 108.5° | 109.5° |
| CB | CA | HA1 | 108.5° | 109.4° |
| CA | CB | HB2 | 109.6° | 109.4° |
| CA | CB | HB1 | 109.6° | 109.5° |
| CB | C3 | C2 | 129.9° | 126.5° |
| CB | C3 | C9 | 124.0° | 126.6° |
| C3 | CB | HB2 | 109.6° | 109.5° |
| C3 | CB | HB1 | 109.6° | 109.5° |
| C3 | C2 | N1 | 110.4° | 109.9° |
| C2 | C3 | C9 | 106.0° | 107.0° |
| C3 | C2 | H2 | 124.8° | 125.1° |
| C2 | N1 | C8 | 108.6° | 109.9° |
| N1 | C2 | H2 | 124.8° | 125.0° |
| C2 | N1 | H1 | 125.7° | 125.1° |
| N1 | C8 | C9 | 106.3° | 107.2° |
| N1 | C8 | C7 | 131.2° | 133.4° |
| C8 | N1 | H1 | 125.7° | 125.1° |
| C8 | C9 | C4 | 118.6° | 119.9° |
| C8 | C9 | C3 | 108.7° | 106.1° |
| C9 | C8 | C7 | 122.4° | 119.5° |
| C9 | C4 | C5 | 119.0° | 119.6° |
| C9 | C4 | O4 | 118.6° | 120.2° |
| C4 | C9 | C3 | 132.6° | 134.0° |
| C4 | C5 | C6 | 121.3° | 120.3° |
| C5 | C4 | O4 | 122.4° | 120.2° |
| C4 | C5 | H5 | 119.3° | 119.9° |
| C5 | C6 | C7 | 121.7° | 120.7° |
| C6 | C5 | H5 | 119.3° | 119.8° |
| C5 | C6 | H6 | 119.1° | 119.7° |
| C6 | C7 | C8 | 117.0° | 120.0° |
| C7 | C6 | H6 | 119.2° | 119.7° |
| C6 | C7 | H7 | 121.5° | 120.0° |
| C4 | O4 | P | 127.2° | 114.0° |
| O4 | P | O1 | 102.2° | 109.5° |
| O4 | P | O3 | 105.0° | 109.4° |
| O4 | P | O2 | 109.8° | 109.4° |
| O1 | P | O3 | 111.1° | 109.5° |
| O1 | P | O2 | 114.9° | 109.5° |
| O3 | P | O2 | 112.8° | 109.5° |
| P | O3 | H4 | 109.5° | 114.0° |
| P | O2 | H3 | 109.5° | 113.9° |
| C8 | C7 | H7 | 121.5° | 120.0° |
| HA2 | CA | HA1 | 109.5° | 109.5° |
| HB2 | CB | HB1 | 109.5° | 109.4° |
| HM1 | CM | HM3 | 109.4° | 109.4° |
| HM1 | CM | HM2 | 109.4° | 109.5° |
| HM3 | CM | HM2 | 109.5° | 109.4° |
| HN3 | CN | HN2 | 109.4° | 109.5° |
| HN3 | CN | HN1 | 109.5° | 109.4° |
| HN2 | CN | HN1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM | N | CN | CA | 124.0° | 123.9° |
| CM | N | CA | CB | 176.1° | 170.0° |
| CM | N | CA | HA2 | 55.5° | 70.0° |
| CM | N | CA | HA1 | 63.4° | 50.0° |
| N | CM | HM1 | HM3 | 120.0° | 120.0° |
| N | CM | HM1 | HM2 | 120.0° | 120.1° |
| N | CM | HM3 | HM2 | 120.0° | 120.0° |
| CM | N | CN | HN3 | 180.0° | 176.1° |
| CM | N | CN | HN2 | 60.0° | 56.0° |
| CM | N | CN | HN1 | 60.0° | 64.0° |
| CN | N | CA | CB | 61.5° | 66.1° |
| CN | N | CA | HA2 | 177.9° | 54.0° |
| CN | N | CA | HA1 | 59.1° | 174.0° |
| CN | N | CM | HM1 | 180.0° | 56.1° |
| CN | N | CM | HM3 | 60.0° | 176.0° |
| CN | N | CM | HM2 | 60.0° | 64.0° |
| N | CN | HN3 | HN2 | 120.0° | 120.0° |
| N | CN | HN3 | HN1 | 120.0° | 120.0° |
| N | CN | HN2 | HN1 | 120.0° | 120.0° |
| N | CA | CB | HA2 | 120.6° | 120.0° |
| N | CA | CB | HA1 | 120.6° | 120.0° |
| N | CA | CB | C3 | 137.6° | 175.4° |
| N | CA | HA2 | HA1 | 118.2° | 120.0° |
| N | CA | CB | HB2 | 102.5° | 55.5° |
| N | CA | CB | HB1 | 17.7° | 64.5° |
| CA | N | CM | HM1 | 56.7° | 180.0° |
| CA | N | CM | HM3 | 176.7° | 60.0° |
| CA | N | CM | HM2 | 63.3° | 60.0° |
| CA | N | CN | HN3 | 55.9° | 60.0° |
| CA | N | CN | HN2 | 64.0° | 180.0° |
| CA | N | CN | HN1 | 176.0° | 59.9° |
| CA | CB | C3 | HB2 | 119.9° | 119.9° |
| CA | CB | C3 | HB1 | 119.9° | 120.1° |
| CA | CB | C3 | C2 | 110.1° | 95.5° |
| CA | CB | C3 | C9 | 75.0° | 84.6° |
| CB | CA | HA2 | HA1 | 118.2° | 119.9° |
| CA | CB | HB2 | HB1 | 120.2° | 120.0° |
| CB | C3 | C2 | C9 | 175.6° | 180.0° |
| CB | C3 | C2 | N1 | 175.4° | 180.0° |
| CB | C3 | C9 | C8 | 175.6° | 180.0° |
| CB | C3 | C9 | C4 | 7.5° | 0.0° |
| C3 | CB | CA | HA2 | 17.0° | 64.5° |
| C3 | CB | CA | HA1 | 101.8° | 55.4° |
| C3 | CB | HB2 | HB1 | 120.2° | 120.1° |
| CB | C3 | C2 | H2 | 4.5° | 0.2° |
| C3 | C2 | N1 | H2 | 180.0° | 179.8° |
| C3 | C2 | N1 | C8 | 0.0° | 0.0° |
| C2 | C3 | C9 | C8 | 0.3° | 0.0° |
| C2 | C3 | C9 | C4 | 176.5° | 179.9° |
| C2 | C3 | CB | HB2 | 9.8° | 144.6° |
| C2 | C3 | CB | HB1 | 130.0° | 24.6° |
| C3 | C2 | N1 | H1 | 180.0° | 179.7° |
| C2 | N1 | C8 | H1 | 180.0° | 179.7° |
| C2 | N1 | C8 | C9 | 0.2° | 0.0° |
| N1 | C2 | C3 | C9 | 0.2° | 0.0° |
| C2 | N1 | C8 | C7 | 177.4° | 180.0° |
| N1 | C8 | C9 | C7 | 177.5° | 179.9° |
| N1 | C8 | C9 | C4 | 177.0° | 180.0° |
| N1 | C8 | C7 | C6 | 176.1° | 180.0° |
| N1 | C8 | C9 | C3 | 0.3° | 0.0° |
| C8 | N1 | C2 | H2 | 179.9° | 179.8° |
| N1 | C8 | C7 | H7 | 3.9° | 0.0° |
| C8 | C9 | C4 | C3 | 176.6° | 179.9° |
| C8 | C9 | C4 | C5 | 0.2° | 0.1° |
| C9 | C8 | C7 | C6 | 0.7° | 0.1° |
| C8 | C9 | C4 | O4 | 179.7° | 180.0° |
| C9 | C8 | C7 | H7 | 179.3° | 180.0° |
| C9 | C8 | N1 | H1 | 179.8° | 179.7° |
| C9 | C4 | C5 | O4 | 179.9° | 179.9° |
| C9 | C4 | C5 | C6 | 0.8° | 0.1° |
| C9 | C4 | O4 | P | 151.2° | 104.5° |
| C4 | C9 | C8 | C7 | 0.5° | 0.1° |
| C9 | C4 | C5 | H5 | 179.3° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.6° | 0.1° |
| C5 | C4 | O4 | P | 28.7° | 75.6° |
| C5 | C4 | C9 | C3 | 176.4° | 180.0° |
| C4 | C5 | C6 | H6 | 179.4° | 179.9° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | O4 | 179.2° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.1° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C7 | C6 | C5 | H5 | 179.4° | 180.0° |
| C4 | O4 | P | O1 | 166.2° | 55.1° |
| C4 | O4 | P | O3 | 50.1° | 64.9° |
| C4 | O4 | P | O2 | 71.4° | 175.1° |
| O4 | C4 | C9 | C3 | 3.7° | 0.0° |
| O4 | C4 | C5 | H5 | 0.8° | 0.0° |
| O4 | P | O1 | O3 | 111.6° | 120.0° |
| O4 | P | O1 | O2 | 118.8° | 120.0° |
| O4 | P | O3 | O2 | 119.5° | 120.0° |
| O4 | P | O2 | H3 | 114.5° | 180.0° |
| O4 | P | O3 | H4 | 109.8° | 61.3° |
| O1 | P | O3 | O2 | 130.7° | 120.1° |
| O1 | P | O2 | H3 | 0.0° | 60.0° |
| O1 | P | O3 | H4 | 0.0° | 178.7° |
| O3 | P | O2 | H3 | 128.7° | 60.1° |
| O2 | P | O3 | H4 | 130.7° | 58.7° |
| C3 | C9 | C8 | C7 | 177.9° | 180.0° |
| C9 | C3 | CB | HB2 | 165.1° | 35.4° |
| C9 | C3 | CB | HB1 | 44.9° | 155.4° |
| C9 | C3 | C2 | H2 | 179.8° | 179.8° |
| C8 | C7 | C6 | H6 | 179.9° | 179.9° |
| C7 | C8 | N1 | H1 | 2.6° | 0.3° |
| HA2 | CA | CB | HB2 | 137.0° | 175.5° |
| HA2 | CA | CB | HB1 | 102.9° | 55.5° |
| HA1 | CA | CB | HB2 | 18.1° | 64.5° |
| HA1 | CA | CB | HB1 | 138.3° | 175.5° |
| H2 | C2 | N1 | H1 | 0.0° | 0.1° |
| H5 | C5 | C6 | H6 | 0.6° | 0.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
| HM1 | CM | HM3 | HM2 | 119.9° | 120.0° |
| HN3 | CN | HN2 | HN1 | 120.0° | 120.0° |
