G2L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | sing | 1.62Å | 12.07Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| P | OP1 | doub | 1.50Å | 1.48Å | |
| P | OP2 | sing | 1.62Å | 1.48Å | |
| P | O5' | sing | 1.62Å | 1.62Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.42Å | |
| C5' | C4' | sing | 1.52Å | 1.55Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C3' | sing | 1.52Å | 1.54Å | |
| C4' | H4' | sing | 1.10Å | 1.09Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.41Å | 1.42Å | |
| C3' | C2' | sing | 1.52Å | 1.53Å | |
| C3' | H3' | sing | 1.10Å | 1.09Å | |
| O3' | CA' | sing | 1.42Å | 1.41Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.53Å | 1.51Å | |
| C2' | H2' | sing | 1.09Å | 1.09Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.10Å | 1.09Å | |
| N9 | C8 | sing | 1.37Å | 1.36Å | Aromatic |
| N9 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.32Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.07Å | |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.44Å | 1.43Å | |
| C5 | C4 | doub | 1.37Å | 1.38Å | Aromatic |
| C6 | O6 | doub | 1.23Å | 1.23Å | |
| C6 | N1 | sing | 1.40Å | 1.39Å | |
| N1 | C2 | sing | 1.41Å | 1.38Å | |
| N1 | H1 | sing | 1.02Å | 1.01Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| C2 | N3 | doub | 1.32Å | 1.34Å | |
| N2 | H21 | sing | 0.99Å | 1.01Å | |
| N2 | H22 | sing | 0.99Å | 1.01Å | |
| N3 | C4 | sing | 1.35Å | 1.36Å | |
| CA' | CB' | sing | 1.52Å | 1.53Å | |
| CA' | HA'1 | sing | 1.09Å | 1.09Å | |
| CA' | HA'2 | sing | 1.09Å | 1.09Å | |
| CB' | OC' | sing | 1.42Å | 1.42Å | |
| CB' | HB'1 | sing | 1.09Å | 1.09Å | |
| CB' | HB'2 | sing | 1.09Å | 1.09Å | |
| OC' | CD' | sing | 1.42Å | 1.42Å | |
| CD' | HD'1 | sing | 1.09Å | 1.09Å | |
| CD' | HD'2 | sing | 1.09Å | 1.09Å | |
| CD' | HD'3 | sing | 1.09Å | 1.09Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | OP3 | HOP3 | 119.8° | 118.9° |
| OP3 | P | OP1 | 119.8° | 115.3° |
| OP3 | P | OP2 | 83.5° | 103.3° |
| OP3 | P | O5' | 24.6° | 103.7° |
| OP1 | P | OP2 | 118.9° | 115.0° |
| OP1 | P | O5' | 108.8° | 115.0° |
| OP2 | P | O5' | 107.8° | 102.9° |
| P | OP2 | HOP2 | 83.5° | 119.0° |
| P | O5' | C5' | 124.9° | 118.5° |
| O5' | C5' | C4' | 110.8° | 108.7° |
| O5' | C5' | H5' | 110.9° | 109.1° |
| O5' | C5' | H5'' | 108.3° | 109.2° |
| C4' | C5' | H5' | 110.0° | 110.1° |
| C4' | C5' | H5'' | 108.6° | 110.1° |
| C5' | C4' | O4' | 111.8° | 109.8° |
| C5' | C4' | C3' | 115.1° | 113.5° |
| C5' | C4' | H4' | 107.8° | 108.7° |
| H5' | C5' | H5'' | 108.0° | 109.6° |
| O4' | C4' | C3' | 107.8° | 105.2° |
| O4' | C4' | H4' | 106.1° | 108.3° |
| C4' | O4' | C1' | 110.9° | 108.3° |
| C3' | C4' | H4' | 107.9° | 111.2° |
| C4' | C3' | O3' | 113.5° | 112.2° |
| C4' | C3' | C2' | 103.0° | 102.2° |
| C4' | C3' | H3' | 111.4° | 110.2° |
| O4' | C1' | C2' | 107.1° | 107.6° |
| O4' | C1' | N9 | 107.6° | 109.4° |
| O4' | C1' | H1' | 108.2° | 108.2° |
| O3' | C3' | C2' | 108.9° | 113.5° |
| O3' | C3' | H3' | 111.1° | 109.0° |
| C3' | O3' | CA' | 115.7° | 111.3° |
| C2' | C3' | H3' | 108.4° | 109.5° |
| C3' | C2' | O2' | 111.3° | 111.2° |
| C3' | C2' | C1' | 104.4° | 102.9° |
| C3' | C2' | H2' | 111.6° | 112.6° |
| O3' | CA' | CB' | 108.2° | 109.1° |
| O3' | CA' | HA'1 | 110.2° | 108.2° |
| O3' | CA' | HA'2 | 110.1° | 108.2° |
| O2' | C2' | C1' | 104.2° | 109.3° |
| O2' | C2' | H2' | 114.6° | 106.9° |
| C2' | O2' | HO2' | 111.3° | 107.3° |
| C1' | C2' | H2' | 110.0° | 114.0° |
| C2' | C1' | N9 | 118.4° | 113.7° |
| C2' | C1' | H1' | 108.2° | 112.6° |
| N9 | C1' | H1' | 107.0° | 105.2° |
| C1' | N9 | C8 | 129.6° | 126.1° |
| C1' | N9 | C4 | 125.7° | 127.3° |
| C8 | N9 | C4 | 104.7° | 106.7° |
| N9 | C8 | N7 | 115.0° | 112.4° |
| N9 | C8 | H8 | 121.1° | 122.0° |
| N9 | C4 | C5 | 106.9° | 104.9° |
| N9 | C4 | N3 | 126.0° | 126.0° |
| N7 | C8 | H8 | 123.9° | 125.5° |
| C8 | N7 | C5 | 103.5° | 103.9° |
| N7 | C5 | C6 | 130.5° | 128.7° |
| N7 | C5 | C4 | 109.9° | 112.1° |
| C6 | C5 | C4 | 119.6° | 119.2° |
| C5 | C6 | O6 | 128.8° | 123.8° |
| C5 | C6 | N1 | 112.3° | 110.8° |
| C5 | C4 | N3 | 127.1° | 129.0° |
| O6 | C6 | N1 | 118.9° | 125.4° |
| C6 | N1 | C2 | 124.1° | 125.3° |
| C6 | N1 | H1 | 116.7° | 117.4° |
| C2 | N1 | H1 | 119.2° | 117.3° |
| N1 | C2 | N2 | 117.2° | 115.4° |
| N1 | C2 | N3 | 124.0° | 122.7° |
| N2 | C2 | N3 | 118.9° | 122.0° |
| C2 | N2 | H21 | 119.5° | 118.3° |
| C2 | N2 | H22 | 120.0° | 118.2° |
| C2 | N3 | C4 | 112.9° | 113.0° |
| H21 | N2 | H22 | 120.5° | 123.5° |
| CB' | CA' | HA'1 | 109.7° | 111.1° |
| CB' | CA' | HA'2 | 108.7° | 110.5° |
| CA' | CB' | OC' | 109.8° | 109.0° |
| CA' | CB' | HB'1 | 108.8° | 111.1° |
| CA' | CB' | HB'2 | 109.2° | 110.5° |
| HA'1 | CA' | HA'2 | 109.9° | 109.7° |
| OC' | CB' | HB'1 | 109.4° | 108.2° |
| OC' | CB' | HB'2 | 110.3° | 108.3° |
| CB' | OC' | CD' | 112.4° | 111.5° |
| HB'1 | CB' | HB'2 | 109.3° | 109.7° |
| OC' | CD' | HD'1 | 110.0° | 109.6° |
| OC' | CD' | HD'2 | 109.0° | 109.5° |
| OC' | CD' | HD'3 | 110.1° | 108.9° |
| HD'1 | CD' | HD'2 | 109.0° | 110.1° |
| HD'1 | CD' | HD'3 | 109.7° | 109.3° |
| HD'2 | CD' | HD'3 | 109.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP1 | OP2 | 99.6° | 120.0° |
| OP3 | P | OP1 | O5' | 24.3° | 120.7° |
| OP3 | P | OP2 | O5' | 3.8° | 107.7° |
| OP3 | P | OP2 | HOP2 | 180.0° | 78.5° |
| OP3 | P | O5' | C5' | 143.3° | 53.2° |
| HOP3 | OP3 | P | OP1 | 180.0° | 48.7° |
| HOP3 | OP3 | P | OP2 | 60.3° | 77.5° |
| HOP3 | OP3 | P | O5' | 111.0° | 175.4° |
| OP1 | P | OP2 | O5' | 124.4° | 125.8° |
| OP1 | P | OP2 | HOP2 | 59.4° | 48.0° |
| OP1 | P | O5' | C5' | 22.1° | 180.0° |
| OP2 | P | O5' | C5' | 152.4° | 54.2° |
| O5' | P | OP2 | HOP2 | 176.2° | 173.8° |
| P | O5' | C5' | C4' | 119.5° | 180.0° |
| P | O5' | C5' | H5' | 3.0° | 59.9° |
| P | O5' | C5' | H5'' | 121.4° | 59.9° |
| O5' | C5' | C4' | H5' | 123.1° | 119.5° |
| O5' | C5' | C4' | H5'' | 118.9° | 119.6° |
| O5' | C5' | H5' | H5'' | 118.6° | 119.5° |
| O5' | C5' | C4' | O4' | 68.6° | 62.1° |
| O5' | C5' | C4' | C3' | 54.8° | 179.5° |
| O5' | C5' | C4' | H4' | 175.2° | 56.2° |
| C4' | C5' | H5' | H5'' | 118.4° | 121.3° |
| C5' | C4' | O4' | C3' | 127.4° | 122.5° |
| C5' | C4' | O4' | H4' | 117.3° | 118.5° |
| C5' | C4' | C3' | H4' | 120.3° | 122.9° |
| C5' | C4' | O4' | C1' | 131.6° | 148.9° |
| C5' | C4' | C3' | O3' | 98.2° | 80.9° |
| C5' | C4' | C3' | C2' | 144.2° | 157.1° |
| C5' | C4' | C3' | H3' | 28.2° | 40.7° |
| H5' | C5' | C4' | O4' | 168.4° | 57.4° |
| H5' | C5' | C4' | C3' | 68.2° | 60.1° |
| H5' | C5' | C4' | H4' | 52.1° | 175.7° |
| H5'' | C5' | C4' | O4' | 50.3° | 178.3° |
| H5'' | C5' | C4' | C3' | 173.7° | 60.9° |
| H5'' | C5' | C4' | H4' | 65.9° | 63.4° |
| O4' | C4' | C3' | H4' | 114.1° | 117.0° |
| O4' | C4' | C3' | O3' | 136.3° | 159.0° |
| O4' | C4' | C3' | C2' | 18.6° | 37.0° |
| O4' | C4' | C3' | H3' | 97.3° | 79.3° |
| C4' | O4' | C1' | C2' | 12.5° | 5.0° |
| C4' | O4' | C1' | N9 | 115.8° | 129.0° |
| C4' | O4' | C1' | H1' | 128.9° | 116.9° |
| C3' | C4' | O4' | C1' | 4.2° | 26.4° |
| C4' | C3' | O3' | C2' | 114.1° | 115.2° |
| C4' | C3' | O3' | H3' | 126.5° | 122.4° |
| C4' | C3' | C2' | H3' | 118.1° | 116.9° |
| C4' | C3' | O3' | CA' | 79.4° | 175.2° |
| C4' | C3' | C2' | O2' | 86.6° | 84.1° |
| C4' | C3' | C2' | C1' | 25.2° | 32.8° |
| C4' | C3' | C2' | H2' | 144.0° | 156.0° |
| H4' | C4' | O4' | C1' | 111.1° | 92.6° |
| H4' | C4' | C3' | O3' | 22.2° | 42.0° |
| H4' | C4' | C3' | C2' | 95.5° | 79.9° |
| H4' | C4' | C3' | H3' | 148.5° | 163.7° |
| O4' | C1' | C2' | C3' | 23.8° | 18.1° |
| O4' | C1' | C2' | O2' | 93.0° | 100.1° |
| O4' | C1' | C2' | N9 | 121.7° | 121.3° |
| O4' | C1' | C2' | H1' | 116.5° | 119.2° |
| O4' | C1' | C2' | H2' | 143.7° | 140.4° |
| O4' | C1' | N9 | H1' | 116.1° | 116.0° |
| O4' | C1' | N9 | C8 | 58.0° | 33.9° |
| O4' | C1' | N9 | C4 | 121.9° | 146.2° |
| O3' | C3' | C2' | H3' | 121.1° | 122.1° |
| O3' | C3' | C2' | O2' | 34.2° | 36.9° |
| O3' | C3' | C2' | C1' | 146.1° | 153.8° |
| O3' | C3' | C2' | H2' | 95.1° | 83.1° |
| C3' | O3' | CA' | CB' | 179.5° | 179.0° |
| C3' | O3' | CA' | HA'1 | 60.6° | 60.0° |
| C3' | O3' | CA' | HA'2 | 60.8° | 58.8° |
| C2' | C3' | O3' | CA' | 166.4° | 60.0° |
| C3' | C2' | O2' | C1' | 112.0° | 112.9° |
| C3' | C2' | O2' | H2' | 127.8° | 123.3° |
| C3' | C2' | C1' | H2' | 119.9° | 122.2° |
| C3' | C2' | O2' | HO2' | 180.0° | 167.5° |
| C3' | C2' | C1' | N9 | 97.9° | 103.2° |
| C3' | C2' | C1' | H1' | 140.3° | 137.3° |
| H3' | C3' | O3' | CA' | 47.1° | 62.4° |
| H3' | C3' | C2' | O2' | 155.3° | 159.0° |
| H3' | C3' | C2' | C1' | 92.9° | 84.1° |
| H3' | C3' | C2' | H2' | 25.9° | 39.0° |
| O3' | CA' | CB' | HA'1 | 120.3° | 119.2° |
| O3' | CA' | CB' | HA'2 | 119.5° | 118.8° |
| O3' | CA' | HA'1 | HA'2 | 121.5° | 117.8° |
| O3' | CA' | CB' | OC' | 69.3° | 60.8° |
| O3' | CA' | CB' | HB'1 | 171.0° | 180.0° |
| O3' | CA' | CB' | HB'2 | 51.8° | 58.0° |
| O2' | C2' | C1' | H2' | 123.3° | 119.5° |
| O2' | C2' | C1' | N9 | 145.2° | 138.5° |
| O2' | C2' | C1' | H1' | 23.5° | 19.1° |
| C1' | C2' | O2' | HO2' | 68.0° | 54.7° |
| C2' | C1' | N9 | H1' | 122.4° | 123.6° |
| C2' | C1' | N9 | C8 | 63.5° | 86.4° |
| C2' | C1' | N9 | C4 | 116.6° | 93.5° |
| H2' | C2' | O2' | HO2' | 52.2° | 69.2° |
| H2' | C2' | C1' | N9 | 22.0° | 19.0° |
| H2' | C2' | C1' | H1' | 99.8° | 100.5° |
| C1' | N9 | C8 | C4 | 179.9° | 179.9° |
| C1' | N9 | C8 | N7 | 179.9° | 180.0° |
| C1' | N9 | C8 | H8 | 0.2° | 0.0° |
| C1' | N9 | C4 | C5 | 179.9° | 179.9° |
| C1' | N9 | C4 | N3 | 0.2° | 0.1° |
| H1' | C1' | N9 | C8 | 174.1° | 150.0° |
| H1' | C1' | N9 | C4 | 5.8° | 30.1° |
| N9 | C8 | N7 | H8 | 179.9° | 180.0° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| C8 | N9 | C4 | C5 | 0.1° | 0.0° |
| C8 | N9 | C4 | N3 | 179.9° | 180.0° |
| C4 | N9 | C8 | N7 | 0.0° | 0.0° |
| C4 | N9 | C8 | H8 | 179.9° | 180.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| N9 | C4 | C5 | C6 | 179.9° | 179.9° |
| N9 | C4 | C5 | N3 | 179.9° | 180.0° |
| N9 | C4 | N3 | C2 | 179.8° | 180.0° |
| C8 | N7 | C5 | C6 | 179.9° | 179.9° |
| C8 | N7 | C5 | C4 | 0.1° | 0.0° |
| H8 | C8 | N7 | C5 | 180.0° | 180.0° |
| N7 | C5 | C6 | C4 | 180.0° | 179.9° |
| N7 | C5 | C6 | O6 | 0.2° | 0.0° |
| N7 | C5 | C6 | N1 | 179.8° | 180.0° |
| N7 | C5 | C4 | N3 | 179.8° | 180.0° |
| C5 | C6 | O6 | N1 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.0° | 0.0° |
| C5 | C6 | N1 | H1 | 179.9° | 180.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.1° |
| C4 | C5 | C6 | O6 | 179.8° | 179.9° |
| C4 | C5 | C6 | N1 | 0.2° | 0.1° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| O6 | C6 | N1 | C2 | 180.0° | 179.9° |
| O6 | C6 | N1 | H1 | 0.1° | 0.0° |
| C6 | N1 | C2 | H1 | 179.9° | 180.0° |
| C6 | N1 | C2 | N2 | 179.9° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| N1 | C2 | N2 | N3 | 179.9° | 180.0° |
| N1 | C2 | N2 | H21 | 179.9° | 146.8° |
| N1 | C2 | N2 | H22 | 0.0° | 33.2° |
| N1 | C2 | N3 | C4 | 0.3° | 0.0° |
| H1 | N1 | C2 | N2 | 0.2° | 0.0° |
| H1 | N1 | C2 | N3 | 179.7° | 180.0° |
| C2 | N2 | H21 | H22 | 180.0° | 180.0° |
| N2 | C2 | N3 | C4 | 179.9° | 180.0° |
| N3 | C2 | N2 | H21 | 0.1° | 33.2° |
| N3 | C2 | N2 | H22 | 179.9° | 146.8° |
| CB' | CA' | HA'1 | HA'2 | 119.5° | 122.5° |
| CA' | CB' | OC' | HB'1 | 119.3° | 121.0° |
| CA' | CB' | OC' | HB'2 | 120.4° | 120.2° |
| CA' | CB' | HB'1 | HB'2 | 119.1° | 122.5° |
| CA' | CB' | OC' | CD' | 179.2° | 179.0° |
| HA'1 | CA' | CB' | OC' | 51.0° | 180.0° |
| HA'1 | CA' | CB' | HB'1 | 68.7° | 60.8° |
| HA'1 | CA' | CB' | HB'2 | 172.1° | 61.1° |
| HA'2 | CA' | CB' | OC' | 171.2° | 58.0° |
| HA'2 | CA' | CB' | HB'1 | 51.5° | 61.2° |
| HA'2 | CA' | CB' | HB'2 | 67.7° | 176.9° |
| OC' | CB' | HB'1 | HB'2 | 120.9° | 117.9° |
| CB' | OC' | CD' | HD'1 | 59.8° | 81.3° |
| CB' | OC' | CD' | HD'2 | 179.2° | 157.9° |
| CB' | OC' | CD' | HD'3 | 61.3° | 38.3° |
| HB'1 | CB' | OC' | CD' | 61.5° | 60.0° |
| HB'2 | CB' | OC' | CD' | 58.8° | 58.8° |
| OC' | CD' | HD'1 | HD'2 | 119.4° | 120.5° |
| OC' | CD' | HD'1 | HD'3 | 121.3° | 119.3° |
| OC' | CD' | HD'2 | HD'3 | 120.2° | 119.3° |
| HD'1 | CD' | HD'2 | HD'3 | 119.7° | 120.1° |
