A2L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2' | C2' | sing | 1.43Å | 1.41Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.53Å | 1.53Å | |
| C2' | C3' | sing | 1.52Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.09Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | N9 | sing | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.10Å | 1.08Å | |
| O4' | C4' | sing | 1.44Å | 1.42Å | |
| C4' | C5' | sing | 1.52Å | 1.55Å | |
| C4' | C3' | sing | 1.52Å | 1.53Å | |
| C4' | H4' | sing | 1.10Å | 1.08Å | |
| C5' | O5' | sing | 1.42Å | 1.42Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| O5' | P | sing | 1.62Å | 1.61Å | |
| P | OP1 | doub | 1.50Å | 1.48Å | |
| P | OP3 | sing | 1.62Å | 3.14Å | |
| P | OP2 | sing | 1.62Å | 1.48Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| C3' | O3' | sing | 1.41Å | 1.43Å | |
| C3' | H3' | sing | 1.10Å | 1.07Å | |
| O3' | CA' | sing | 1.42Å | 1.42Å | |
| 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 | |
| N9 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.32Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.37Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.36Å | Aromatic |
| N3 | C2 | doub | 1.35Å | 1.33Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | C6 | doub | 1.36Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.41Å | 1.33Å | |
| N6 | H61 | sing | 1.00Å | 1.01Å | |
| N6 | H62 | sing | 1.00Å | 1.01Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | O2' | HO2' | 112.5° | 107.3° |
| O2' | C2' | C1' | 112.5° | 109.3° |
| O2' | C2' | C3' | 110.3° | 111.2° |
| O2' | C2' | H2' | 110.6° | 106.9° |
| C1' | C2' | C3' | 102.1° | 102.9° |
| C1' | C2' | H2' | 111.5° | 114.0° |
| C2' | C1' | O4' | 105.4° | 107.6° |
| C2' | C1' | N9 | 121.1° | 113.7° |
| C2' | C1' | H1' | 108.2° | 112.6° |
| C3' | C2' | H2' | 109.4° | 112.6° |
| C2' | C3' | C4' | 102.4° | 102.2° |
| C2' | C3' | O3' | 113.9° | 113.5° |
| C2' | C3' | H3' | 108.0° | 109.5° |
| O4' | C1' | N9 | 97.7° | 109.4° |
| O4' | C1' | H1' | 108.9° | 108.2° |
| C1' | O4' | C4' | 110.3° | 108.3° |
| N9 | C1' | H1' | 114.0° | 105.2° |
| C1' | N9 | C8 | 130.6° | 126.1° |
| C1' | N9 | C4 | 124.0° | 126.9° |
| O4' | C4' | C5' | 116.9° | 109.8° |
| O4' | C4' | C3' | 98.6° | 105.2° |
| O4' | C4' | H4' | 108.6° | 108.3° |
| C5' | C4' | C3' | 116.3° | 113.5° |
| C5' | C4' | H4' | 104.6° | 108.7° |
| C4' | C5' | O5' | 113.0° | 108.7° |
| C4' | C5' | H5' | 108.5° | 110.1° |
| C4' | C5' | H5'' | 109.8° | 110.1° |
| C3' | C4' | H4' | 111.8° | 111.2° |
| C4' | C3' | O3' | 108.1° | 112.2° |
| C4' | C3' | H3' | 113.1° | 110.2° |
| O5' | C5' | H5' | 109.0° | 109.1° |
| O5' | C5' | H5'' | 109.5° | 109.2° |
| C5' | O5' | P | 122.7° | 118.5° |
| H5' | C5' | H5'' | 106.9° | 109.6° |
| O5' | P | OP1 | 108.3° | 115.0° |
| O5' | P | OP3 | 125.7° | 103.7° |
| O5' | P | OP2 | 107.5° | 102.9° |
| OP1 | P | OP3 | 48.8° | 115.3° |
| OP1 | P | OP2 | 119.4° | 115.0° |
| OP3 | P | OP2 | 126.7° | 103.3° |
| P | OP3 | HOP3 | 125.7° | 118.9° |
| P | OP2 | HOP2 | 107.5° | 119.0° |
| O3' | C3' | H3' | 111.0° | 109.0° |
| C3' | O3' | CA' | 112.9° | 111.3° |
| O3' | CA' | CB' | 109.9° | 109.1° |
| O3' | CA' | HA'1 | 110.3° | 108.2° |
| O3' | CA' | HA'2 | 109.9° | 108.2° |
| CB' | CA' | HA'1 | 108.5° | 111.1° |
| CB' | CA' | HA'2 | 109.6° | 110.5° |
| CA' | CB' | OC' | 110.9° | 109.0° |
| CA' | CB' | HB'1 | 108.9° | 111.1° |
| CA' | CB' | HB'2 | 108.6° | 110.5° |
| HA'1 | CA' | HA'2 | 108.7° | 109.7° |
| OC' | CB' | HB'1 | 110.3° | 108.2° |
| OC' | CB' | HB'2 | 109.2° | 108.3° |
| CB' | OC' | CD' | 111.7° | 111.5° |
| HB'1 | CB' | HB'2 | 109.0° | 109.7° |
| OC' | CD' | HD'1 | 110.0° | 109.6° |
| OC' | CD' | HD'2 | 109.2° | 109.5° |
| OC' | CD' | HD'3 | 110.1° | 108.9° |
| HD'1 | CD' | HD'2 | 109.0° | 110.1° |
| HD'1 | CD' | HD'3 | 109.6° | 109.3° |
| HD'2 | CD' | HD'3 | 109.0° | 109.4° |
| C8 | N9 | C4 | 105.4° | 107.0° |
| N9 | C8 | N7 | 114.2° | 112.2° |
| N9 | C8 | H8 | 122.1° | 122.2° |
| N9 | C4 | C5 | 106.1° | 105.2° |
| N9 | C4 | N3 | 126.8° | 127.5° |
| N7 | C8 | H8 | 123.7° | 125.6° |
| C8 | N7 | C5 | 103.6° | 104.8° |
| N7 | C5 | C4 | 110.7° | 110.8° |
| N7 | C5 | C6 | 133.7° | 132.4° |
| C4 | C5 | C6 | 115.4° | 116.9° |
| C5 | C4 | N3 | 127.1° | 127.2° |
| C5 | C6 | N1 | 119.1° | 119.1° |
| C5 | C6 | N6 | 123.4° | 120.7° |
| C4 | N3 | C2 | 111.2° | 110.5° |
| N3 | C2 | N1 | 128.3° | 128.9° |
| N3 | C2 | H2 | 115.2° | 115.6° |
| N1 | C2 | H2 | 116.5° | 115.5° |
| C2 | N1 | C6 | 118.7° | 117.5° |
| N1 | C6 | N6 | 117.4° | 120.2° |
| C6 | N6 | H61 | 119.1° | 119.5° |
| C6 | N6 | H62 | 119.8° | 119.4° |
| H61 | N6 | H62 | 121.1° | 120.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2' | C2' | C1' | C3' | 118.3° | 118.2° |
| O2' | C2' | C1' | H2' | 124.9° | 119.5° |
| O2' | C2' | C3' | H2' | 121.9° | 120.0° |
| O2' | C2' | C1' | O4' | 126.8° | 100.1° |
| O2' | C2' | C1' | N9 | 124.0° | 138.5° |
| O2' | C2' | C1' | H1' | 10.4° | 19.1° |
| O2' | C2' | C3' | C4' | 152.4° | 84.1° |
| O2' | C2' | C3' | O3' | 36.0° | 36.9° |
| O2' | C2' | C3' | H3' | 87.9° | 159.0° |
| HO2' | O2' | C2' | C1' | 180.0° | 54.7° |
| HO2' | O2' | C2' | C3' | 66.6° | 167.5° |
| HO2' | O2' | C2' | H2' | 54.6° | 69.2° |
| C1' | C2' | C3' | H2' | 118.2° | 123.2° |
| C2' | C1' | O4' | N9 | 125.3° | 124.0° |
| C2' | C1' | O4' | H1' | 115.9° | 122.0° |
| C2' | C1' | N9 | H1' | 132.0° | 123.6° |
| C2' | C1' | O4' | C4' | 21.5° | 5.0° |
| C1' | C2' | C3' | C4' | 32.6° | 32.8° |
| C1' | C2' | C3' | O3' | 83.9° | 153.8° |
| C1' | C2' | C3' | H3' | 152.3° | 84.1° |
| C2' | C1' | N9 | C8 | 11.0° | 86.4° |
| C2' | C1' | N9 | C4 | 169.1° | 93.6° |
| C3' | C2' | C1' | O4' | 8.5° | 18.1° |
| C3' | C2' | C1' | N9 | 117.7° | 103.2° |
| C3' | C2' | C1' | H1' | 107.9° | 137.3° |
| C2' | C3' | C4' | O4' | 44.6° | 37.0° |
| C2' | C3' | C4' | C5' | 81.3° | 157.1° |
| C2' | C3' | C4' | O3' | 120.5° | 121.9° |
| C2' | C3' | C4' | H3' | 116.0° | 116.4° |
| C2' | C3' | C4' | H4' | 158.6° | 79.9° |
| C2' | C3' | O3' | H3' | 122.2° | 122.4° |
| C2' | C3' | O3' | CA' | 160.4° | 60.0° |
| H2' | C2' | C1' | O4' | 108.3° | 140.4° |
| H2' | C2' | C1' | N9 | 0.9° | 19.0° |
| H2' | C2' | C1' | H1' | 135.3° | 100.5° |
| H2' | C2' | C3' | C4' | 85.6° | 156.0° |
| H2' | C2' | C3' | O3' | 157.9° | 83.1° |
| H2' | C2' | C3' | H3' | 34.0° | 39.0° |
| O4' | C1' | N9 | H1' | 114.8° | 116.0° |
| C1' | O4' | C4' | C5' | 83.9° | 148.9° |
| C1' | O4' | C4' | C3' | 41.5° | 26.4° |
| C1' | O4' | C4' | H4' | 158.1° | 92.6° |
| O4' | C1' | N9 | C8 | 102.3° | 33.9° |
| O4' | C1' | N9 | C4 | 77.7° | 146.1° |
| N9 | C1' | O4' | C4' | 103.8° | 129.0° |
| C1' | N9 | C8 | C4 | 180.0° | 180.0° |
| C1' | N9 | C8 | N7 | 179.6° | 180.0° |
| C1' | N9 | C8 | H8 | 0.2° | 0.0° |
| C1' | N9 | C4 | C5 | 179.4° | 180.0° |
| C1' | N9 | C4 | N3 | 0.2° | 0.0° |
| H1' | C1' | O4' | C4' | 137.4° | 116.9° |
| H1' | C1' | N9 | C8 | 142.9° | 150.0° |
| H1' | C1' | N9 | C4 | 37.1° | 30.0° |
| O4' | C4' | C5' | C3' | 116.0° | 117.4° |
| O4' | C4' | C5' | H4' | 120.1° | 118.3° |
| O4' | C4' | C3' | H4' | 114.1° | 117.0° |
| O4' | C4' | C5' | O5' | 118.3° | 62.1° |
| O4' | C4' | C5' | H5' | 120.7° | 57.4° |
| O4' | C4' | C5' | H5'' | 4.2° | 178.3° |
| O4' | C4' | C3' | O3' | 76.0° | 159.0° |
| O4' | C4' | C3' | H3' | 160.6° | 79.3° |
| C5' | C4' | C3' | H4' | 120.1° | 122.9° |
| C4' | C5' | O5' | H5' | 120.7° | 120.1° |
| C4' | C5' | O5' | H5'' | 122.7° | 120.2° |
| C4' | C5' | H5' | H5'' | 118.4° | 121.3° |
| C4' | C5' | O5' | P | 178.7° | 180.0° |
| C5' | C4' | C3' | O3' | 158.2° | 80.9° |
| C5' | C4' | C3' | H3' | 34.8° | 40.7° |
| C3' | C4' | C5' | O5' | 2.3° | 179.5° |
| C3' | C4' | C5' | H5' | 123.3° | 60.1° |
| C3' | C4' | C5' | H5'' | 120.2° | 60.9° |
| C4' | C3' | O3' | H3' | 124.7° | 122.4° |
| C4' | C3' | O3' | CA' | 86.5° | 175.2° |
| H4' | C4' | C5' | O5' | 121.6° | 56.2° |
| H4' | C4' | C5' | H5' | 0.6° | 175.7° |
| H4' | C4' | C5' | H5'' | 115.9° | 63.4° |
| H4' | C4' | C3' | O3' | 38.1° | 42.0° |
| H4' | C4' | C3' | H3' | 85.3° | 163.7° |
| O5' | C5' | H5' | H5'' | 118.2° | 119.5° |
| C5' | O5' | P | OP1 | 49.8° | 180.0° |
| C5' | O5' | P | OP3 | 2.1° | 53.2° |
| C5' | O5' | P | OP2 | 180.0° | 54.2° |
| H5' | C5' | O5' | P | 60.6° | 59.9° |
| H5'' | C5' | O5' | P | 56.0° | 59.9° |
| O5' | P | OP1 | OP3 | 121.9° | 120.7° |
| O5' | P | OP1 | OP2 | 123.3° | 119.3° |
| O5' | P | OP3 | OP2 | 177.5° | 107.1° |
| O5' | P | OP3 | HOP3 | 180.0° | 175.4° |
| O5' | P | OP2 | HOP2 | 180.0° | 173.8° |
| OP1 | P | OP3 | OP2 | 99.2° | 126.2° |
| OP1 | P | OP3 | HOP3 | 96.8° | 48.7° |
| OP1 | P | OP2 | HOP2 | 56.4° | 48.0° |
| OP3 | P | OP2 | HOP2 | 2.1° | 78.5° |
| OP2 | P | OP3 | HOP3 | 2.5° | 77.5° |
| C3' | O3' | CA' | CB' | 172.1° | 179.0° |
| C3' | O3' | CA' | HA'1 | 52.6° | 60.0° |
| C3' | O3' | CA' | HA'2 | 67.3° | 58.8° |
| H3' | C3' | O3' | CA' | 38.2° | 62.4° |
| O3' | CA' | CB' | HA'1 | 120.6° | 119.2° |
| O3' | CA' | CB' | HA'2 | 120.8° | 118.8° |
| O3' | CA' | HA'1 | HA'2 | 120.5° | 117.8° |
| O3' | CA' | CB' | OC' | 67.1° | 60.8° |
| O3' | CA' | CB' | HB'1 | 54.4° | 180.0° |
| O3' | CA' | CB' | HB'2 | 172.9° | 58.0° |
| CB' | CA' | HA'1 | HA'2 | 119.1° | 122.5° |
| CA' | CB' | OC' | HB'1 | 120.7° | 121.0° |
| CA' | CB' | OC' | HB'2 | 119.6° | 120.2° |
| CA' | CB' | HB'1 | HB'2 | 118.3° | 122.5° |
| CA' | CB' | OC' | CD' | 179.7° | 179.0° |
| HA'1 | CA' | CB' | OC' | 172.3° | 180.0° |
| HA'1 | CA' | CB' | HB'1 | 66.2° | 60.8° |
| HA'1 | CA' | CB' | HB'2 | 52.3° | 61.1° |
| HA'2 | CA' | CB' | OC' | 53.7° | 58.0° |
| HA'2 | CA' | CB' | HB'1 | 175.2° | 61.2° |
| HA'2 | CA' | CB' | HB'2 | 66.3° | 176.9° |
| OC' | CB' | HB'1 | HB'2 | 119.8° | 117.9° |
| CB' | OC' | CD' | HD'1 | 62.1° | 81.3° |
| CB' | OC' | CD' | HD'2 | 178.3° | 157.9° |
| CB' | OC' | CD' | HD'3 | 58.8° | 38.3° |
| HB'1 | CB' | OC' | CD' | 59.0° | 60.0° |
| HB'2 | CB' | OC' | CD' | 60.7° | 58.8° |
| OC' | CD' | HD'1 | HD'2 | 119.7° | 120.5° |
| OC' | CD' | HD'1 | HD'3 | 121.1° | 119.3° |
| OC' | CD' | HD'2 | HD'3 | 120.2° | 119.3° |
| HD'1 | CD' | HD'2 | HD'3 | 119.5° | 120.1° |
| N9 | C8 | N7 | H8 | 179.8° | 180.0° |
| N9 | C8 | N7 | C5 | 0.0° | 0.0° |
| C8 | N9 | C4 | C5 | 0.6° | 0.0° |
| C8 | N9 | C4 | N3 | 179.8° | 180.0° |
| C4 | N9 | C8 | N7 | 0.4° | 0.0° |
| C4 | N9 | C8 | H8 | 179.8° | 180.0° |
| N9 | C4 | C5 | N7 | 0.6° | 0.0° |
| N9 | C4 | C5 | N3 | 179.6° | 180.0° |
| N9 | C4 | C5 | C6 | 175.1° | 180.0° |
| N9 | C4 | N3 | C2 | 174.2° | 180.0° |
| C8 | N7 | C5 | C4 | 0.4° | 0.0° |
| C8 | N7 | C5 | C6 | 174.2° | 180.0° |
| H8 | C8 | N7 | C5 | 179.8° | 180.0° |
| N7 | C5 | C4 | C6 | 175.7° | 180.0° |
| N7 | C5 | C4 | N3 | 179.8° | 180.0° |
| N7 | C5 | C6 | N1 | 175.2° | 179.9° |
| N7 | C5 | C6 | N6 | 5.1° | 0.1° |
| C5 | C4 | N3 | C2 | 5.4° | 0.0° |
| C4 | C5 | C6 | N1 | 0.8° | 0.0° |
| C4 | C5 | C6 | N6 | 179.5° | 180.0° |
| C6 | C5 | C4 | N3 | 4.6° | 0.0° |
| C5 | C6 | N1 | C2 | 1.4° | 0.0° |
| C5 | C6 | N1 | N6 | 179.7° | 180.0° |
| C5 | C6 | N6 | H61 | 179.5° | 2.1° |
| C5 | C6 | N6 | H62 | 0.4° | 175.8° |
| C4 | N3 | C2 | N1 | 2.8° | 0.0° |
| C4 | N3 | C2 | H2 | 177.2° | 179.9° |
| N3 | C2 | N1 | H2 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.3° | 0.0° |
| C2 | N1 | C6 | N6 | 178.4° | 180.0° |
| H2 | C2 | N1 | C6 | 179.7° | 179.9° |
| N1 | C6 | N6 | H61 | 0.2° | 177.9° |
| N1 | C6 | N6 | H62 | 179.9° | 4.2° |
| C6 | N6 | H61 | H62 | 179.9° | 173.7° |
