GSS
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 | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.60Å | |
| 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 | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| 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 | 1.51Å | |
| 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 | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | 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 | 1.42Å | 1.42Å | |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | N1 | sing | 1.35Å | 1.39Å | |
| N1 | C2 | sing | 1.36Å | 1.38Å | |
| N1 | H1 | sing | 0.97Å | 1.01Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| C2 | N3 | doub | 1.31Å | 1.34Å | |
| N2 | CA | sing | 1.46Å | 1.49Å | |
| N2 | H2 | sing | 0.97Å | 1.01Å | |
| N3 | C4 | sing | 1.34Å | 1.35Å | |
| 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 | 1.08Å | |
| CB | HB2 | sing | 1.09Å | 1.08Å | |
| 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 | 1.40Å | Aromatic |
| CO | HO | sing | 1.08Å | 1.08Å | |
| CO' | CM' | doub | 1.38Å | 1.40Å | Aromatic |
| CO' | HO' | sing | 1.08Å | 1.08Å | |
| 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 | 1.08Å | |
| CP | HP | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 120.4° | 109.5° |
| OP1 | P | OP3 | 109.0° | 109.5° |
| OP1 | P | O5' | 107.1° | 109.5° |
| OP2 | P | OP3 | 107.8° | 109.4° |
| OP2 | P | O5' | 109.3° | 109.5° |
| P | OP2 | HOP2 | 120.4° | 106.8° |
| OP3 | P | O5' | 101.7° | 109.5° |
| P | OP3 | HOP3 | 109.0° | 106.8° |
| P | O5' | C5' | 118.5° | 106.8° |
| O5' | C5' | C4' | 111.9° | 109.5° |
| O5' | C5' | H5' | 108.8° | 109.5° |
| O5' | C5' | H5'' | 108.9° | 109.5° |
| C4' | C5' | H5' | 109.2° | 109.5° |
| C4' | C5' | H5'' | 109.1° | 109.5° |
| C5' | C4' | O4' | 110.8° | 110.8° |
| C5' | C4' | C3' | 110.5° | 110.7° |
| C5' | C4' | H4' | 109.2° | 110.6° |
| H5' | C5' | H5'' | 108.9° | 109.4° |
| O4' | C4' | C3' | 108.2° | 103.5° |
| O4' | C4' | H4' | 109.0° | 110.5° |
| C4' | O4' | C1' | 110.2° | 106.9° |
| C3' | C4' | H4' | 109.1° | 110.6° |
| C4' | C3' | O3' | 110.0° | 110.9° |
| C4' | C3' | C2' | 105.4° | 102.1° |
| C4' | C3' | H3' | 109.6° | 110.9° |
| O4' | C1' | C2' | 107.1° | 107.4° |
| O4' | C1' | N9 | 110.8° | 109.9° |
| O4' | C1' | H1' | 108.9° | 109.9° |
| O3' | C3' | C2' | 112.4° | 110.9° |
| O3' | C3' | H3' | 110.0° | 110.7° |
| C3' | O3' | HO3' | 110.0° | 106.8° |
| C2' | C3' | H3' | 109.4° | 111.0° |
| C3' | C2' | C1' | 106.2° | 104.1° |
| C3' | C2' | H2' | 109.7° | 110.5° |
| C3' | C2' | H2'' | 110.7° | 110.5° |
| C1' | C2' | H2' | 110.2° | 110.5° |
| C1' | C2' | H2'' | 109.9° | 110.5° |
| C2' | C1' | N9 | 112.1° | 109.9° |
| C2' | C1' | H1' | 108.8° | 109.8° |
| H2' | C2' | H2'' | 110.1° | 110.6° |
| N9 | C1' | H1' | 109.0° | 109.9° |
| C1' | N9 | C8 | 129.9° | 126.3° |
| C1' | N9 | C4 | 126.4° | 126.3° |
| C8 | N9 | C4 | 103.6° | 107.5° |
| N9 | C8 | N7 | 117.6° | 109.8° |
| N9 | C8 | H8 | 121.2° | 125.1° |
| N9 | C4 | C5 | 106.3° | 106.1° |
| N9 | C4 | N3 | 126.0° | 134.2° |
| N7 | C8 | H8 | 121.1° | 125.0° |
| C8 | N7 | C5 | 101.9° | 109.3° |
| N7 | C5 | C6 | 129.8° | 134.1° |
| N7 | C5 | C4 | 110.6° | 107.3° |
| C6 | C5 | C4 | 119.6° | 118.6° |
| C5 | C6 | O6 | 128.5° | 120.8° |
| C5 | C6 | N1 | 111.6° | 118.3° |
| C5 | C4 | N3 | 127.7° | 119.7° |
| O6 | C6 | N1 | 120.0° | 120.9° |
| C6 | N1 | C2 | 125.3° | 120.4° |
| C6 | N1 | H1 | 115.7° | 119.8° |
| C2 | N1 | H1 | 119.0° | 119.8° |
| N1 | C2 | N2 | 116.0° | 119.1° |
| N1 | C2 | N3 | 123.6° | 121.9° |
| N2 | C2 | N3 | 120.5° | 119.0° |
| C2 | N2 | CA | 120.5° | 120.0° |
| C2 | N2 | H2 | 119.7° | 120.0° |
| C2 | N3 | C4 | 112.3° | 121.1° |
| CA | N2 | H2 | 119.7° | 120.0° |
| N2 | CA | CB | 109.4° | 109.4° |
| N2 | CA | CJ | 109.9° | 109.6° |
| N2 | CA | HA | 109.3° | 109.5° |
| CB | CA | CJ | 109.5° | 109.4° |
| CB | CA | HA | 109.3° | 109.4° |
| CA | CB | OB | 109.3° | 109.4° |
| CA | CB | HB1 | 109.4° | 109.5° |
| CA | CB | HB2 | 109.7° | 109.4° |
| CJ | CA | HA | 109.4° | 109.5° |
| CA | CJ | CO | 120.1° | 120.0° |
| CA | CJ | CO' | 120.0° | 120.0° |
| OB | CB | HB1 | 110.0° | 109.5° |
| OB | CB | HB2 | 109.2° | 109.5° |
| CB | OB | HB | 107.9° | 106.7° |
| HB1 | CB | HB2 | 109.2° | 109.5° |
| CO | CJ | CO' | 120.0° | 120.0° |
| CJ | CO | CM | 120.1° | 120.0° |
| CJ | CO | HO | 119.9° | 120.0° |
| CJ | CO' | CM' | 120.0° | 120.0° |
| CJ | CO' | HO' | 120.0° | 120.0° |
| CM | CO | HO | 120.0° | 120.0° |
| CO | CM | CP | 120.0° | 120.0° |
| CO | CM | HM | 120.1° | 120.0° |
| CM' | CO' | HO' | 120.0° | 120.0° |
| CO' | CM' | CP | 120.0° | 120.0° |
| CO' | CM' | HM' | 120.0° | 120.0° |
| CP | CM | HM | 120.0° | 120.0° |
| CM | CP | CM' | 120.0° | 120.0° |
| CM | CP | HP | 120.0° | 120.0° |
| CP | CM' | HM' | 120.0° | 120.0° |
| CM' | CP | HP | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 125.7° | 120.0° |
| OP1 | P | OP2 | O5' | 124.5° | 120.0° |
| OP1 | P | OP3 | O5' | 112.9° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP1 | P | O5' | C5' | 45.4° | 60.0° |
| OP2 | P | OP3 | O5' | 114.9° | 120.0° |
| OP2 | P | OP3 | HOP3 | 47.8° | 60.0° |
| OP2 | P | O5' | C5' | 177.3° | 180.0° |
| OP3 | P | OP2 | HOP2 | 54.3° | 60.0° |
| OP3 | P | O5' | C5' | 68.9° | 60.0° |
| O5' | P | OP2 | HOP2 | 55.5° | 180.0° |
| O5' | P | OP3 | HOP3 | 67.1° | 60.0° |
| P | O5' | C5' | C4' | 176.1° | 180.0° |
| P | O5' | C5' | H5' | 63.1° | 60.0° |
| P | O5' | C5' | H5'' | 55.5° | 60.0° |
| O5' | C5' | C4' | H5' | 120.5° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.6° | 120.0° |
| O5' | C5' | H5' | H5'' | 118.6° | 120.0° |
| O5' | C5' | C4' | O4' | 63.6° | 65.8° |
| O5' | C5' | C4' | C3' | 56.3° | 180.0° |
| O5' | C5' | C4' | H4' | 176.3° | 57.1° |
| C4' | C5' | H5' | H5'' | 119.0° | 120.0° |
| C5' | C4' | O4' | C3' | 121.2° | 118.7° |
| C5' | C4' | O4' | H4' | 120.2° | 122.9° |
| C5' | C4' | C3' | H4' | 120.1° | 122.8° |
| C5' | C4' | O4' | C1' | 126.7° | 158.6° |
| C5' | C4' | C3' | O3' | 122.8° | 86.1° |
| C5' | C4' | C3' | C2' | 115.8° | 155.7° |
| C5' | C4' | C3' | H3' | 1.8° | 37.4° |
| H5' | C5' | C4' | O4' | 56.9° | 174.2° |
| H5' | C5' | C4' | C3' | 176.8° | 60.0° |
| H5' | C5' | C4' | H4' | 63.2° | 62.9° |
| H5'' | C5' | C4' | O4' | 175.8° | 54.3° |
| H5'' | C5' | C4' | C3' | 64.3° | 60.0° |
| H5'' | C5' | C4' | H4' | 55.7° | 177.2° |
| O4' | C4' | C3' | H4' | 118.5° | 118.4° |
| O4' | C4' | C3' | O3' | 115.8° | 155.2° |
| O4' | C4' | C3' | C2' | 5.6° | 36.9° |
| O4' | C4' | C3' | H3' | 123.2° | 81.4° |
| C4' | O4' | C1' | C2' | 14.3° | 26.4° |
| C4' | O4' | C1' | N9 | 136.9° | 145.8° |
| C4' | O4' | C1' | H1' | 103.2° | 93.1° |
| C3' | C4' | O4' | C1' | 5.4° | 39.9° |
| C4' | C3' | O3' | C2' | 117.1° | 112.8° |
| C4' | C3' | O3' | H3' | 120.8° | 123.6° |
| C4' | C3' | C2' | H3' | 117.7° | 118.2° |
| C4' | C3' | O3' | HO3' | 179.9° | 174.2° |
| C4' | C3' | C2' | C1' | 13.9° | 20.9° |
| C4' | C3' | C2' | H2' | 105.2° | 97.7° |
| C4' | C3' | C2' | H2'' | 133.2° | 139.5° |
| H4' | C4' | O4' | C1' | 113.1° | 78.5° |
| H4' | C4' | C3' | O3' | 2.8° | 36.8° |
| H4' | C4' | C3' | C2' | 124.2° | 81.4° |
| H4' | C4' | C3' | H3' | 118.3° | 160.3° |
| O4' | C1' | C2' | C3' | 17.5° | 2.0° |
| O4' | C1' | C2' | N9 | 121.8° | 119.5° |
| O4' | C1' | C2' | H1' | 117.6° | 119.5° |
| O4' | C1' | C2' | H2' | 101.3° | 120.6° |
| O4' | C1' | C2' | H2'' | 137.3° | 116.7° |
| O4' | C1' | N9 | H1' | 119.8° | 121.1° |
| O4' | C1' | N9 | C8 | 57.7° | 28.3° |
| O4' | C1' | N9 | C4 | 116.9° | 151.8° |
| O3' | C3' | C2' | H3' | 122.5° | 123.5° |
| O3' | C3' | C2' | C1' | 105.9° | 139.1° |
| O3' | C3' | C2' | H2' | 135.0° | 20.5° |
| O3' | C3' | C2' | H2'' | 13.4° | 102.2° |
| C2' | C3' | O3' | HO3' | 62.9° | 61.4° |
| C3' | C2' | C1' | H2' | 118.8° | 118.7° |
| C3' | C2' | C1' | H2'' | 119.8° | 118.6° |
| C3' | C2' | H2' | H2'' | 122.1° | 122.6° |
| C3' | C2' | C1' | N9 | 139.3° | 121.4° |
| C3' | C2' | C1' | H1' | 100.1° | 117.6° |
| H3' | C3' | O3' | HO3' | 59.2° | 62.3° |
| H3' | C3' | C2' | C1' | 131.6° | 97.3° |
| H3' | C3' | C2' | H2' | 12.6° | 144.0° |
| H3' | C3' | C2' | H2'' | 109.1° | 21.3° |
| C1' | C2' | H2' | H2'' | 121.3° | 122.7° |
| C2' | C1' | N9 | H1' | 120.6° | 121.0° |
| C2' | C1' | N9 | C8 | 61.9° | 89.7° |
| C2' | C1' | N9 | C4 | 123.5° | 90.3° |
| H2' | C2' | C1' | N9 | 20.5° | 119.9° |
| H2' | C2' | C1' | H1' | 141.1° | 1.1° |
| H2'' | C2' | C1' | N9 | 100.9° | 2.8° |
| H2'' | C2' | C1' | H1' | 19.7° | 123.8° |
| C1' | N9 | C8 | C4 | 175.5° | 180.0° |
| C1' | N9 | C8 | N7 | 174.9° | 180.0° |
| C1' | N9 | C8 | H8 | 5.8° | 0.0° |
| C1' | N9 | C4 | C5 | 175.1° | 180.0° |
| C1' | N9 | C4 | N3 | 4.6° | 0.1° |
| H1' | C1' | N9 | C8 | 177.5° | 149.4° |
| H1' | C1' | N9 | C4 | 2.9° | 30.7° |
| N9 | C8 | N7 | H8 | 179.3° | 180.0° |
| N9 | C8 | N7 | C5 | 0.3° | 0.0° |
| C8 | N9 | C4 | C5 | 0.6° | 0.0° |
| C8 | N9 | C4 | N3 | 179.6° | 180.0° |
| C4 | N9 | C8 | N7 | 0.6° | 0.0° |
| C4 | N9 | C8 | H8 | 178.7° | 180.0° |
| N9 | C4 | C5 | N7 | 0.4° | 0.0° |
| N9 | C4 | C5 | C6 | 179.6° | 180.0° |
| N9 | C4 | C5 | N3 | 179.8° | 180.0° |
| N9 | C4 | N3 | C2 | 179.8° | 180.0° |
| C8 | N7 | C5 | C6 | 179.9° | 180.0° |
| C8 | N7 | C5 | C4 | 0.1° | 0.0° |
| H8 | C8 | N7 | C5 | 178.9° | 180.0° |
| N7 | C5 | C6 | C4 | 180.0° | 180.0° |
| N7 | C5 | C6 | O6 | 0.7° | 0.0° |
| N7 | C5 | C6 | N1 | 179.8° | 179.7° |
| N7 | C5 | C4 | N3 | 179.8° | 180.0° |
| C5 | C6 | O6 | N1 | 179.4° | 179.7° |
| C5 | C6 | N1 | C2 | 0.1° | 0.5° |
| C5 | C6 | N1 | H1 | 179.6° | 180.0° |
| C6 | C5 | C4 | N3 | 0.2° | 0.0° |
| C4 | C5 | C6 | O6 | 179.3° | 180.0° |
| C4 | C5 | C6 | N1 | 0.2° | 0.3° |
| C5 | C4 | N3 | C2 | 0.1° | 0.1° |
| O6 | C6 | N1 | C2 | 179.6° | 179.7° |
| O6 | C6 | N1 | H1 | 0.0° | 0.3° |
| C6 | N1 | C2 | H1 | 179.7° | 179.5° |
| C6 | N1 | C2 | N2 | 177.4° | 179.7° |
| C6 | N1 | C2 | N3 | 0.4° | 0.5° |
| N1 | C2 | N2 | N3 | 177.9° | 179.7° |
| N1 | C2 | N2 | CA | 176.0° | 179.8° |
| N1 | C2 | N2 | H2 | 2.6° | 0.3° |
| N1 | C2 | N3 | C4 | 0.4° | 0.2° |
| H1 | N1 | C2 | N2 | 2.9° | 0.3° |
| H1 | N1 | C2 | N3 | 179.3° | 180.0° |
| C2 | N2 | CA | H2 | 178.5° | 179.9° |
| N2 | C2 | N3 | C4 | 177.4° | 179.9° |
| C2 | N2 | CA | CB | 171.9° | 90.0° |
| C2 | N2 | CA | CJ | 67.8° | 150.0° |
| C2 | N2 | CA | HA | 52.3° | 29.9° |
| N3 | C2 | N2 | CA | 1.9° | 0.0° |
| N3 | C2 | N2 | H2 | 179.6° | 179.9° |
| N2 | CA | CB | CJ | 120.5° | 120.1° |
| N2 | CA | CB | HA | 119.6° | 120.0° |
| N2 | CA | CJ | HA | 120.0° | 120.1° |
| N2 | CA | CB | OB | 39.1° | 60.0° |
| N2 | CA | CB | HB1 | 159.7° | 180.0° |
| N2 | CA | CB | HB2 | 80.6° | 59.9° |
| N2 | CA | CJ | CO | 27.3° | 150.0° |
| N2 | CA | CJ | CO' | 152.5° | 29.6° |
| H2 | N2 | CA | CB | 6.6° | 90.1° |
| H2 | N2 | CA | CJ | 113.7° | 29.9° |
| H2 | N2 | CA | HA | 126.2° | 150.0° |
| CB | CA | CJ | HA | 119.8° | 119.9° |
| CA | CB | OB | HB1 | 120.2° | 120.0° |
| CA | CB | OB | HB2 | 120.0° | 119.9° |
| CA | CB | HB1 | HB2 | 120.0° | 120.0° |
| CA | CB | OB | HB | 70.0° | 180.0° |
| CB | CA | CJ | CO | 92.9° | 90.0° |
| CB | CA | CJ | CO' | 87.3° | 90.3° |
| CJ | CA | CB | OB | 81.4° | 60.1° |
| CJ | CA | CB | HB1 | 39.2° | 60.0° |
| CJ | CA | CB | HB2 | 158.9° | 180.0° |
| CA | CJ | CO | CO' | 179.8° | 179.6° |
| CA | CJ | CO | CM | 179.9° | 180.0° |
| CA | CJ | CO | HO | 0.0° | 0.1° |
| CA | CJ | CO' | CM' | 179.9° | 179.9° |
| CA | CJ | CO' | HO' | 0.2° | 0.3° |
| HA | CA | CB | OB | 158.7° | 180.0° |
| HA | CA | CB | HB1 | 80.7° | 60.0° |
| HA | CA | CB | HB2 | 39.0° | 60.1° |
| HA | CA | CJ | CO | 147.3° | 29.9° |
| HA | CA | CJ | CO' | 32.5° | 149.8° |
| OB | CB | HB1 | HB2 | 119.9° | 120.0° |
| HB1 | CB | OB | HB | 50.2° | 60.0° |
| HB2 | CB | OB | HB | 170.0° | 60.1° |
| CJ | CO | CM | HO | 179.8° | 179.9° |
| CO | CJ | CO' | CM' | 0.0° | 0.5° |
| CO | CJ | CO' | HO' | 180.0° | 180.0° |
| CJ | CO | CM | CP | 0.0° | 0.0° |
| CJ | CO | CM | HM | 179.9° | 179.9° |
| CO' | CJ | CO | CM | 0.0° | 0.3° |
| CO' | CJ | CO | HO | 179.8° | 179.8° |
| CJ | CO' | CM' | HO' | 180.0° | 179.5° |
| CJ | CO' | CM' | CP | 0.0° | 0.4° |
| CJ | CO' | CM' | HM' | 180.0° | 179.7° |
| CO | CM | CP | HM | 179.9° | 180.0° |
| CO | CM | CP | CM' | 0.0° | 0.1° |
| CO | CM | CP | HP | 180.0° | 180.0° |
| HO | CO | CM | CP | 179.8° | 180.0° |
| HO | CO | CM | HM | 0.2° | 0.0° |
| CO' | CM' | CP | CM | 0.0° | 0.1° |
| CO' | CM' | CP | HM' | 180.0° | 179.9° |
| CO' | CM' | CP | HP | 180.0° | 179.8° |
| HO' | CO' | CM' | CP | 180.0° | 179.9° |
| HO' | CO' | CM' | HM' | 0.0° | 0.2° |
| CM | CP | CM' | HP | 180.0° | 179.9° |
| CM | CP | CM' | HM' | 180.0° | 180.0° |
| HM | CM | CP | CM' | 179.9° | 180.0° |
| HM | CM | CP | HP | 0.0° | 0.0° |
| HM' | CM' | CP | HP | 0.0° | 0.1° |
