Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.63Å | |
| P | O5' | sing | 1.61Å | 1.62Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.45Å | 1.45Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.09Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.09Å | |
| C2' | H2'' | sing | 1.09Å | 1.09Å | |
| C1' | N9 | sing | 1.47Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.29Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.09Å | |
| N7 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.36Å | |
| C6 | N1 | doub | 1.33Å | 1.37Å | Aromatic |
| N6 | CA | sing | 1.46Å | 1.50Å | |
| N6 | H6 | sing | 0.97Å | 1.01Å | |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.09Å | |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | CJ | sing | 1.51Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.08Å | |
| CB | OB | sing | 1.43Å | 1.42Å | |
| CB | HB1 | sing | 1.09Å | 1.09Å | |
| CB | HB2 | sing | 1.09Å | 1.07Å | |
| OB | HB | sing | 0.97Å | 0.96Å | |
| CJ | CO | doub | 1.38Å | 1.40Å | Aromatic |
| CJ | CO' | sing | 1.38Å | 1.40Å | Aromatic |
| CO | CM | sing | 1.38Å | 1.41Å | Aromatic |
| CO | HO | sing | 1.08Å | 1.08Å | |
| CO' | CM' | doub | 1.38Å | 1.41Å | Aromatic |
| CO' | HO' | sing | 1.08Å | 1.07Å | |
| CM | CP | doub | 1.38Å | 1.40Å | Aromatic |
| CM | HM | sing | 1.08Å | 1.08Å | |
| CM' | CP | sing | 1.38Å | 1.40Å | Aromatic |
| CM' | HM' | sing | 1.08Å | 1.07Å | |
| CP | HP | sing | 1.08Å | 1.07Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.4° | 109.4° |
| OP1 | P | OP3 | 107.9° | 109.6° |
| OP1 | P | O5' | 108.0° | 109.5° |
| OP2 | P | OP3 | 108.5° | 109.4° |
| OP2 | P | O5' | 108.0° | 109.4° |
| P | OP2 | HOP2 | 119.4° | 106.8° |
| OP3 | P | O5' | 103.9° | 109.5° |
| P | OP3 | HOP3 | 108.0° | 106.9° |
| P | O5' | C5' | 121.4° | 106.8° |
| O5' | C5' | C4' | 112.0° | 109.5° |
| O5' | C5' | H5' | 108.7° | 109.4° |
| O5' | C5' | H5'' | 109.3° | 109.5° |
| C4' | C5' | H5' | 108.8° | 109.4° |
| C4' | C5' | H5'' | 109.0° | 109.5° |
| C5' | C4' | O4' | 110.9° | 110.7° |
| C5' | C4' | C3' | 111.7° | 110.6° |
| C5' | C4' | H4' | 109.0° | 110.6° |
| H5' | C5' | H5'' | 109.0° | 109.5° |
| O4' | C4' | C3' | 107.8° | 103.6° |
| O4' | C4' | H4' | 108.7° | 110.5° |
| C4' | O4' | C1' | 109.5° | 106.9° |
| C3' | C4' | H4' | 108.6° | 110.6° |
| C4' | C3' | O3' | 109.9° | 110.9° |
| C4' | C3' | C2' | 105.3° | 102.1° |
| C4' | C3' | H3' | 109.7° | 110.9° |
| O4' | C1' | C2' | 106.9° | 107.4° |
| O4' | C1' | N9 | 111.1° | 109.9° |
| O4' | C1' | H1' | 108.8° | 109.9° |
| O3' | C3' | C2' | 112.3° | 110.9° |
| O3' | C3' | H3' | 110.2° | 110.8° |
| C3' | O3' | HO3' | 109.9° | 106.8° |
| C2' | C3' | H3' | 109.4° | 110.9° |
| C3' | C2' | C1' | 106.2° | 104.2° |
| C3' | C2' | H2' | 109.6° | 110.5° |
| C3' | C2' | H2'' | 111.0° | 110.5° |
| C1' | C2' | H2' | 109.8° | 110.5° |
| C1' | C2' | H2'' | 110.2° | 110.5° |
| C2' | C1' | N9 | 111.9° | 109.9° |
| C2' | C1' | H1' | 109.0° | 109.9° |
| H2' | C2' | H2'' | 110.0° | 110.6° |
| N9 | C1' | H1' | 109.0° | 109.9° |
| C1' | N9 | C8 | 129.8° | 126.3° |
| C1' | N9 | C4 | 126.7° | 126.2° |
| C8 | N9 | C4 | 103.4° | 107.5° |
| N9 | C8 | N7 | 117.4° | 109.9° |
| N9 | C8 | H8 | 121.2° | 125.0° |
| N9 | C4 | C5 | 106.5° | 106.0° |
| N9 | C4 | N3 | 126.1° | 134.9° |
| N7 | C8 | H8 | 121.3° | 125.0° |
| C8 | N7 | C5 | 102.1° | 109.5° |
| N7 | C5 | C6 | 132.7° | 134.7° |
| N7 | C5 | C4 | 110.6° | 107.1° |
| C6 | C5 | C4 | 116.7° | 118.2° |
| C5 | C6 | N6 | 122.5° | 120.8° |
| C5 | C6 | N1 | 116.7° | 118.5° |
| C5 | C4 | N3 | 127.5° | 119.1° |
| N6 | C6 | N1 | 120.8° | 120.8° |
| C6 | N6 | CA | 120.4° | 120.0° |
| C6 | N6 | H6 | 120.0° | 120.0° |
| C6 | N1 | C2 | 120.4° | 121.2° |
| CA | N6 | H6 | 119.7° | 120.0° |
| N6 | CA | CB | 109.6° | 109.5° |
| N6 | CA | CJ | 110.1° | 109.5° |
| N6 | CA | HA | 109.5° | 109.4° |
| N1 | C2 | N3 | 127.1° | 122.5° |
| N1 | C2 | H2 | 116.4° | 118.8° |
| N3 | C2 | H2 | 116.5° | 118.8° |
| C2 | N3 | C4 | 111.6° | 120.6° |
| CB | CA | CJ | 108.7° | 109.5° |
| CB | CA | HA | 109.7° | 109.4° |
| CA | CB | OB | 109.5° | 109.4° |
| CA | CB | HB1 | 109.3° | 109.5° |
| CA | CB | HB2 | 109.7° | 109.5° |
| CJ | CA | HA | 109.1° | 109.4° |
| CA | CJ | CO | 120.8° | 120.1° |
| CA | CJ | CO' | 119.2° | 120.0° |
| OB | CB | HB1 | 109.8° | 109.5° |
| OB | CB | HB2 | 109.3° | 109.4° |
| CB | OB | HB | 107.9° | 106.8° |
| HB1 | CB | HB2 | 109.2° | 109.5° |
| CO | CJ | CO' | 120.0° | 120.0° |
| CJ | CO | CM | 119.6° | 120.0° |
| CJ | CO | HO | 119.8° | 120.0° |
| CJ | CO' | CM' | 120.0° | 120.0° |
| CJ | CO' | HO' | 119.7° | 120.0° |
| CM | CO | HO | 120.6° | 120.0° |
| CO | CM | CP | 120.5° | 120.0° |
| CO | CM | HM | 119.8° | 120.0° |
| CM' | CO' | HO' | 120.3° | 120.0° |
| CO' | CM' | CP | 119.9° | 120.0° |
| CO' | CM' | HM' | 120.3° | 120.1° |
| CP | CM | HM | 119.6° | 120.0° |
| CM | CP | CM' | 120.0° | 120.0° |
| CM | CP | HP | 120.0° | 120.0° |
| CP | CM' | HM' | 119.7° | 119.9° |
| CM' | CP | HP | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 124.2° | 120.1° |
| OP1 | P | OP2 | O5' | 123.8° | 119.9° |
| OP1 | P | OP3 | O5' | 114.5° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP1 | P | O5' | C5' | 42.5° | 60.1° |
| OP2 | P | OP3 | O5' | 114.7° | 120.0° |
| OP2 | P | OP3 | HOP3 | 49.2° | 60.0° |
| OP2 | P | O5' | C5' | 172.9° | 180.0° |
| OP3 | P | OP2 | HOP2 | 55.8° | 60.0° |
| OP3 | P | O5' | C5' | 72.0° | 60.1° |
| O5' | P | OP2 | HOP2 | 56.2° | 180.0° |
| O5' | P | OP3 | HOP3 | 65.5° | 60.0° |
| P | O5' | C5' | C4' | 179.4° | 180.0° |
| P | O5' | C5' | H5' | 60.4° | 60.0° |
| P | O5' | C5' | H5'' | 58.5° | 60.0° |
| O5' | C5' | C4' | H5' | 120.2° | 120.0° |
| O5' | C5' | C4' | H5'' | 121.1° | 120.0° |
| O5' | C5' | H5' | H5'' | 119.1° | 120.0° |
| O5' | C5' | C4' | O4' | 57.2° | 65.7° |
| O5' | C5' | C4' | C3' | 63.1° | 180.0° |
| O5' | C5' | C4' | H4' | 176.8° | 57.1° |
| C4' | C5' | H5' | H5'' | 118.7° | 120.0° |
| C5' | C4' | O4' | C3' | 122.6° | 118.6° |
| C5' | C4' | O4' | H4' | 119.8° | 122.9° |
| C5' | C4' | C3' | H4' | 120.3° | 122.9° |
| C5' | C4' | O4' | C1' | 138.8° | 158.5° |
| C5' | C4' | C3' | O3' | 112.7° | 86.2° |
| C5' | C4' | C3' | C2' | 126.2° | 155.7° |
| C5' | C4' | C3' | H3' | 8.6° | 37.5° |
| H5' | C5' | C4' | O4' | 63.1° | 174.3° |
| H5' | C5' | C4' | C3' | 176.7° | 60.1° |
| H5' | C5' | C4' | H4' | 56.6° | 62.8° |
| H5'' | C5' | C4' | O4' | 178.2° | 54.3° |
| H5'' | C5' | C4' | C3' | 58.0° | 59.9° |
| H5'' | C5' | C4' | H4' | 62.1° | 177.2° |
| O4' | C4' | C3' | H4' | 117.6° | 118.4° |
| O4' | C4' | C3' | O3' | 125.3° | 155.1° |
| O4' | C4' | C3' | C2' | 4.1° | 37.0° |
| O4' | C4' | C3' | H3' | 113.5° | 81.2° |
| C4' | O4' | C1' | C2' | 21.8° | 26.3° |
| C4' | O4' | C1' | N9 | 144.1° | 145.9° |
| C4' | O4' | C1' | H1' | 95.8° | 93.2° |
| C3' | C4' | O4' | C1' | 16.3° | 39.9° |
| C4' | C3' | O3' | C2' | 116.9° | 112.7° |
| C4' | C3' | O3' | H3' | 121.0° | 123.7° |
| C4' | C3' | C2' | H3' | 117.8° | 118.2° |
| C4' | C3' | O3' | HO3' | 179.9° | 174.2° |
| C4' | C3' | C2' | C1' | 8.7° | 20.9° |
| C4' | C3' | C2' | H2' | 109.9° | 97.7° |
| C4' | C3' | C2' | H2'' | 128.5° | 139.5° |
| H4' | C4' | O4' | C1' | 101.3° | 78.6° |
| H4' | C4' | C3' | O3' | 7.6° | 36.7° |
| H4' | C4' | C3' | C2' | 113.5° | 81.5° |
| H4' | C4' | C3' | H3' | 128.9° | 160.3° |
| O4' | C1' | C2' | C3' | 18.6° | 2.0° |
| O4' | C1' | C2' | N9 | 121.8° | 119.5° |
| O4' | C1' | C2' | H1' | 117.5° | 119.5° |
| O4' | C1' | C2' | H2' | 99.9° | 120.6° |
| O4' | C1' | C2' | H2'' | 138.9° | 116.7° |
| O4' | C1' | N9 | H1' | 120.0° | 121.0° |
| O4' | C1' | N9 | C8 | 61.9° | 28.3° |
| O4' | C1' | N9 | C4 | 114.3° | 151.7° |
| O3' | C3' | C2' | H3' | 122.6° | 123.5° |
| O3' | C3' | C2' | C1' | 110.9° | 139.1° |
| O3' | C3' | C2' | H2' | 130.5° | 20.5° |
| O3' | C3' | C2' | H2'' | 8.9° | 102.2° |
| C2' | C3' | O3' | HO3' | 63.1° | 61.4° |
| C3' | C2' | C1' | H2' | 118.4° | 118.7° |
| C3' | C2' | C1' | H2'' | 120.3° | 118.7° |
| C3' | C2' | H2' | H2'' | 122.3° | 122.7° |
| C3' | C2' | C1' | N9 | 140.4° | 121.5° |
| C3' | C2' | C1' | H1' | 98.9° | 117.5° |
| H3' | C3' | O3' | HO3' | 59.1° | 62.1° |
| H3' | C3' | C2' | C1' | 126.4° | 97.3° |
| H3' | C3' | C2' | H2' | 7.9° | 144.0° |
| H3' | C3' | C2' | H2'' | 113.7° | 21.3° |
| C1' | C2' | H2' | H2'' | 121.4° | 122.6° |
| C2' | C1' | N9 | H1' | 120.7° | 121.0° |
| C2' | C1' | N9 | C8 | 57.5° | 89.7° |
| C2' | C1' | N9 | C4 | 126.3° | 90.3° |
| H2' | C2' | C1' | N9 | 22.0° | 119.9° |
| H2' | C2' | C1' | H1' | 142.7° | 1.1° |
| H2'' | C2' | C1' | N9 | 99.3° | 2.8° |
| H2'' | C2' | C1' | H1' | 21.4° | 123.8° |
| C1' | N9 | C8 | C4 | 176.9° | 179.9° |
| C1' | N9 | C8 | N7 | 176.5° | 180.0° |
| C1' | N9 | C8 | H8 | 3.7° | 0.0° |
| C1' | N9 | C4 | C5 | 176.5° | 179.7° |
| C1' | N9 | C4 | N3 | 3.3° | 0.1° |
| H1' | C1' | N9 | C8 | 178.1° | 149.3° |
| H1' | C1' | N9 | C4 | 5.7° | 30.8° |
| N9 | C8 | N7 | H8 | 179.8° | 180.0° |
| N9 | C8 | N7 | C5 | 0.1° | 0.3° |
| C8 | N9 | C4 | C5 | 0.5° | 0.2° |
| C8 | N9 | C4 | N3 | 179.7° | 180.0° |
| C4 | N9 | C8 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | H8 | 179.4° | 180.0° |
| N9 | C4 | C5 | N7 | 0.5° | 0.4° |
| N9 | C4 | C5 | C6 | 179.8° | 179.6° |
| N9 | C4 | C5 | N3 | 179.9° | 179.8° |
| N9 | C4 | N3 | C2 | 179.8° | 180.0° |
| C8 | N7 | C5 | C6 | 179.9° | 179.5° |
| C8 | N7 | C5 | C4 | 0.2° | 0.4° |
| H8 | C8 | N7 | C5 | 179.7° | 179.7° |
| N7 | C5 | C6 | C4 | 179.7° | 179.0° |
| N7 | C5 | C6 | N6 | 1.3° | 0.7° |
| N7 | C5 | C6 | N1 | 179.6° | 179.5° |
| N7 | C5 | C4 | N3 | 179.7° | 179.8° |
| C5 | C6 | N6 | N1 | 179.1° | 179.7° |
| C5 | C6 | N6 | CA | 0.7° | 179.7° |
| C5 | C6 | N6 | H6 | 180.0° | 0.3° |
| C5 | C6 | N1 | C2 | 0.0° | 0.3° |
| C6 | C5 | C4 | N3 | 0.0° | 0.5° |
| C4 | C5 | C6 | N6 | 179.1° | 179.7° |
| C4 | C5 | C6 | N1 | 0.0° | 0.6° |
| C5 | C4 | N3 | C2 | 0.0° | 0.3° |
| C6 | N6 | CA | H6 | 179.3° | 180.0° |
| N6 | C6 | N1 | C2 | 179.2° | 180.0° |
| C6 | N6 | CA | CB | 74.7° | 89.9° |
| C6 | N6 | CA | CJ | 165.7° | 150.0° |
| C6 | N6 | CA | HA | 45.7° | 30.0° |
| N1 | C6 | N6 | CA | 178.4° | 0.0° |
| N1 | C6 | N6 | H6 | 1.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | H2 | 179.7° | 180.0° |
| N6 | CA | CB | CJ | 120.5° | 120.1° |
| N6 | CA | CB | HA | 120.3° | 119.9° |
| N6 | CA | CJ | HA | 120.2° | 119.9° |
| N6 | CA | CB | OB | 61.8° | 60.0° |
| N6 | CA | CB | HB1 | 177.9° | 179.9° |
| N6 | CA | CB | HB2 | 58.1° | 59.9° |
| N6 | CA | CJ | CO | 51.0° | 149.9° |
| N6 | CA | CJ | CO' | 130.4° | 29.7° |
| H6 | N6 | CA | CB | 104.6° | 90.0° |
| H6 | N6 | CA | CJ | 15.0° | 30.0° |
| H6 | N6 | CA | HA | 135.0° | 150.0° |
| N1 | C2 | N3 | H2 | 179.8° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| H2 | C2 | N3 | C4 | 179.8° | 180.0° |
| CB | CA | CJ | HA | 119.6° | 120.0° |
| CA | CB | OB | HB1 | 120.0° | 120.0° |
| CA | CB | OB | HB2 | 120.2° | 120.0° |
| CA | CB | HB1 | HB2 | 120.0° | 120.0° |
| CA | CB | OB | HB | 177.9° | 179.9° |
| CB | CA | CJ | CO | 69.2° | 89.9° |
| CB | CA | CJ | CO' | 109.5° | 90.4° |
| CJ | CA | CB | OB | 58.6° | 60.1° |
| CJ | CA | CB | HB1 | 61.7° | 59.9° |
| CJ | CA | CB | HB2 | 178.6° | 180.0° |
| CA | CJ | CO | CO' | 178.6° | 179.7° |
| CA | CJ | CO | CM | 179.2° | 180.0° |
| CA | CJ | CO | HO | 0.1° | 0.0° |
| CA | CJ | CO' | CM' | 178.9° | 179.8° |
| CA | CJ | CO' | HO' | 1.2° | 0.3° |
| HA | CA | CB | OB | 177.9° | 180.0° |
| HA | CA | CB | HB1 | 57.6° | 60.0° |
| HA | CA | CB | HB2 | 62.2° | 60.0° |
| HA | CA | CJ | CO | 171.3° | 30.0° |
| HA | CA | CJ | CO' | 10.1° | 149.7° |
| OB | CB | HB1 | HB2 | 119.9° | 120.0° |
| HB1 | CB | OB | HB | 57.9° | 60.0° |
| HB2 | CB | OB | HB | 61.9° | 60.0° |
| CJ | CO | CM | HO | 179.1° | 179.9° |
| CO | CJ | CO' | CM' | 0.3° | 0.5° |
| CO | CJ | CO' | HO' | 179.8° | 179.9° |
| CJ | CO | CM | CP | 0.5° | 0.1° |
| CJ | CO | CM | HM | 179.6° | 180.0° |
| CO' | CJ | CO | CM | 0.6° | 0.3° |
| CO' | CJ | CO | HO | 178.5° | 179.7° |
| CJ | CO' | CM' | HO' | 179.9° | 179.5° |
| CJ | CO' | CM' | CP | 0.2° | 0.5° |
| CJ | CO' | CM' | HM' | 178.8° | 179.7° |
| CO | CM | CP | HM | 179.9° | 179.9° |
| CO | CM | CP | CM' | 0.0° | 0.0° |
| CO | CM | CP | HP | 179.9° | 179.9° |
| HO | CO | CM | CP | 178.6° | 180.0° |
| HO | CO | CM | HM | 1.3° | 0.1° |
| CO' | CM' | CP | CM | 0.3° | 0.2° |
| CO' | CM' | CP | HM' | 178.6° | 179.8° |
| CO' | CM' | CP | HP | 179.7° | 179.8° |
| HO' | CO' | CM' | CP | 179.7° | 180.0° |
| HO' | CO' | CM' | HM' | 1.1° | 0.2° |
| CM | CP | CM' | HP | 180.0° | 179.9° |
| CM | CP | CM' | HM' | 179.0° | 180.0° |
| HM | CM | CP | CM' | 179.9° | 179.9° |
| HM | CM | CP | HP | 0.0° | 0.1° |
| HM' | CM' | CP | HP | 1.1° | 0.0° |
