A1AJE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CDN | ODP | sing | 1.43Å | 1.44Å | |
| ODP | CDR | sing | 1.36Å | 1.35Å | |
| NDO | CEE | sing | 1.35Å | 1.28Å | |
| CDR | CDU | doub | 1.39Å | 1.39Å | Aromatic |
| CDR | CED | sing | 1.40Å | 1.40Å | Aromatic |
| CDU | CDX | sing | 1.38Å | 1.40Å | Aromatic |
| CEE | CED | sing | 1.48Å | 1.37Å | |
| CEE | ODY | doub | 1.22Å | 1.23Å | |
| CED | CEB | doub | 1.40Å | 1.37Å | Aromatic |
| CDX | CDZ | doub | 1.38Å | 1.38Å | Aromatic |
| CEB | CDZ | sing | 1.38Å | 1.38Å | Aromatic |
| CDZ | SDQ | sing | 1.76Å | 1.85Å | |
| SDQ | ODT | sing | 1.52Å | 1.51Å | |
| SDQ | ODW | doub | 1.42Å | 1.56Å | |
| CDN | H1 | sing | 1.09Å | 1.10Å | |
| CDN | H2 | sing | 1.09Å | 1.10Å | |
| CDN | H3 | sing | 1.09Å | 1.10Å | |
| CDU | H4 | sing | 1.08Å | 1.08Å | |
| CDX | H5 | sing | 1.08Å | 1.08Å | |
| CEB | H6 | sing | 1.08Å | 1.08Å | |
| NDO | H7 | sing | 0.97Å | 1.00Å | |
| NDO | H8 | sing | 0.97Å | 1.00Å | |
| ODT | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CDN | ODP | CDR | 116.6° | 117.0° |
| ODP | CDN | H1 | 109.5° | 109.5° |
| ODP | CDN | H2 | 109.5° | 109.5° |
| ODP | CDN | H3 | 109.5° | 109.5° |
| ODP | CDR | CDU | 120.7° | 120.2° |
| ODP | CDR | CED | 115.6° | 120.1° |
| NDO | CEE | CED | 112.3° | 120.0° |
| NDO | CEE | ODY | 122.3° | 120.0° |
| CEE | NDO | H7 | 120.0° | 120.0° |
| CEE | NDO | H8 | 120.0° | 120.0° |
| CDU | CDR | CED | 122.3° | 119.7° |
| CDR | CDU | CDX | 117.6° | 120.1° |
| CDR | CDU | H4 | 121.2° | 119.9° |
| CDR | CED | CEE | 130.5° | 120.2° |
| CDR | CED | CEB | 116.4° | 119.6° |
| CDU | CDX | CDZ | 119.3° | 120.4° |
| CDX | CDU | H4 | 121.2° | 120.0° |
| CDU | CDX | H5 | 120.3° | 119.8° |
| CED | CEE | ODY | 125.4° | 120.0° |
| CEE | CED | CEB | 107.8° | 120.2° |
| CED | CEB | CDZ | 121.1° | 119.9° |
| CED | CEB | H6 | 119.4° | 120.1° |
| CDX | CDZ | CEB | 121.4° | 120.3° |
| CDX | CDZ | SDQ | 120.4° | 119.9° |
| CDZ | CDX | H5 | 120.3° | 119.8° |
| CEB | CDZ | SDQ | 118.1° | 119.8° |
| CDZ | CEB | H6 | 119.4° | 120.0° |
| CDZ | SDQ | ODT | 116.7° | 103.0° |
| CDZ | SDQ | ODW | 108.6° | 103.0° |
| ODT | SDQ | ODW | 110.4° | 103.0° |
| SDQ | ODT | H9 | 109.5° | 114.0° |
| H1 | CDN | H2 | 109.4° | 109.4° |
| H1 | CDN | H3 | 109.5° | 109.4° |
| H2 | CDN | H3 | 109.4° | 109.5° |
| H7 | NDO | H8 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CDN | ODP | CDR | CDU | 13.2° | 0.0° |
| CDN | ODP | CDR | CED | 179.9° | 179.7° |
| ODP | CDN | H1 | H2 | 120.0° | 120.0° |
| ODP | CDN | H1 | H3 | 120.0° | 120.0° |
| ODP | CDN | H2 | H3 | 120.0° | 120.1° |
| ODP | CDR | CDU | CED | 165.9° | 179.7° |
| ODP | CDR | CDU | CDX | 177.3° | 179.7° |
| ODP | CDR | CED | CEE | 25.7° | 0.3° |
| ODP | CDR | CED | CEB | 176.6° | 179.7° |
| CDR | ODP | CDN | H1 | 180.0° | 60.0° |
| CDR | ODP | CDN | H2 | 60.0° | 60.0° |
| CDR | ODP | CDN | H3 | 60.0° | 180.0° |
| ODP | CDR | CDU | H4 | 2.7° | 0.3° |
| NDO | CEE | CED | CDR | 13.3° | 179.9° |
| NDO | CEE | CED | ODY | 176.6° | 179.9° |
| NDO | CEE | CED | CEB | 139.4° | 0.1° |
| CEE | NDO | H7 | H8 | 180.0° | 179.9° |
| CDR | CDU | CDX | H4 | 180.0° | 180.0° |
| CDU | CDR | CED | CEE | 167.8° | 180.0° |
| CDU | CDR | CED | CEB | 16.9° | 0.1° |
| CDR | CDU | CDX | CDZ | 1.7° | 0.0° |
| CDR | CDU | CDX | H5 | 178.3° | 179.9° |
| CED | CDR | CDU | CDX | 11.4° | 0.0° |
| CDR | CED | CEE | CEB | 152.8° | 180.0° |
| CDR | CED | CEE | ODY | 170.0° | 0.0° |
| CDR | CED | CEB | CDZ | 12.9° | 0.1° |
| CED | CDR | CDU | H4 | 168.6° | 180.0° |
| CDR | CED | CEB | H6 | 167.1° | 180.0° |
| CDU | CDX | CDZ | H5 | 180.0° | 179.9° |
| CDU | CDX | CDZ | CEB | 1.9° | 0.0° |
| CDU | CDX | CDZ | SDQ | 177.6° | 180.0° |
| CEE | CED | CEB | CDZ | 170.1° | 179.9° |
| CEE | CED | CEB | H6 | 9.9° | 0.0° |
| CED | CEE | NDO | H7 | 176.8° | 0.1° |
| CED | CEE | NDO | H8 | 3.3° | 180.0° |
| ODY | CEE | CED | CEB | 37.2° | 180.0° |
| ODY | CEE | NDO | H7 | 0.0° | 180.0° |
| ODY | CEE | NDO | H8 | 180.0° | 0.1° |
| CED | CEB | CDZ | CDX | 4.0° | 0.0° |
| CED | CEB | CDZ | H6 | 180.0° | 180.0° |
| CED | CEB | CDZ | SDQ | 171.7° | 180.0° |
| CDX | CDZ | CEB | SDQ | 175.8° | 180.0° |
| CDX | CDZ | SDQ | ODT | 50.8° | 90.0° |
| CDX | CDZ | SDQ | ODW | 176.3° | 163.1° |
| CDZ | CDX | CDU | H4 | 178.3° | 180.0° |
| CDX | CDZ | CEB | H6 | 176.0° | 180.0° |
| CEB | CDZ | SDQ | ODT | 133.4° | 90.0° |
| CEB | CDZ | SDQ | ODW | 7.8° | 16.9° |
| CEB | CDZ | CDX | H5 | 178.1° | 179.9° |
| CDZ | SDQ | ODT | ODW | 124.6° | 106.9° |
| SDQ | CDZ | CDX | H5 | 2.4° | 0.0° |
| SDQ | CDZ | CEB | H6 | 8.3° | 0.0° |
| CDZ | SDQ | ODT | H9 | 124.6° | 180.0° |
| ODW | SDQ | ODT | H9 | 0.0° | 73.2° |
| H1 | CDN | H2 | H3 | 120.0° | 120.0° |
| H4 | CDU | CDX | H5 | 1.7° | 0.1° |
