DZM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| P | OP1 | doub | 1.48Å | 1.51Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| N1 | C2 | sing | 1.32Å | 1.30Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | C3 | doub | 1.37Å | 1.29Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.49Å | Aromatic |
| C3 | C3M | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.41Å | 1.37Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.39Å | 1.35Å | |
| N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.48Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.52Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| P | OP3 | sing | 1.61Å | 1.72Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C3M | H3M | sing | 1.09Å | 1.10Å | |
| C3M | H3MA | sing | 1.09Å | 1.10Å | |
| C3M | H3MB | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | OP1 | 120.8° | 109.5° |
| OP2 | P | O5' | 107.9° | 109.5° |
| OP2 | P | OP3 | 102.0° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP1 | P | O5' | 107.6° | 109.5° |
| OP1 | P | OP3 | 104.5° | 109.5° |
| P | O5' | C5' | 120.4° | 123.0° |
| O5' | P | OP3 | 114.3° | 109.5° |
| C2 | N1 | C6 | 123.2° | 122.3° |
| N1 | C2 | C3 | 122.7° | 121.5° |
| N1 | C2 | H2 | 118.6° | 119.2° |
| N1 | C6 | C5 | 119.6° | 120.0° |
| N1 | C6 | N6 | 120.7° | 120.0° |
| C2 | C3 | C4 | 117.5° | 119.1° |
| C2 | C3 | C3M | 119.5° | 120.5° |
| C3 | C2 | H2 | 118.7° | 119.3° |
| C4 | C3 | C3M | 123.0° | 120.4° |
| C3 | C4 | C5 | 119.4° | 118.7° |
| C3 | C4 | N9 | 131.1° | 135.2° |
| C3 | C3M | H3M | 109.5° | 109.4° |
| C3 | C3M | H3MA | 109.4° | 109.5° |
| C3 | C3M | H3MB | 109.5° | 109.5° |
| C5 | C4 | N9 | 109.5° | 106.1° |
| C4 | C5 | C6 | 117.6° | 118.5° |
| C4 | C5 | N7 | 107.0° | 106.9° |
| C4 | N9 | C8 | 106.5° | 107.4° |
| C4 | N9 | C1' | 127.9° | 126.3° |
| C6 | C5 | N7 | 135.5° | 134.6° |
| C5 | C6 | N6 | 119.7° | 120.0° |
| C5 | N7 | C8 | 107.3° | 109.6° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| N7 | C8 | N9 | 109.8° | 110.0° |
| N7 | C8 | H8 | 125.1° | 125.0° |
| C8 | N9 | C1' | 125.6° | 126.3° |
| N9 | C8 | H8 | 125.1° | 125.0° |
| N9 | C1' | C2' | 111.7° | 109.9° |
| N9 | C1' | O4' | 108.8° | 109.9° |
| N9 | C1' | H1' | 107.6° | 109.9° |
| C2' | C1' | O4' | 106.7° | 107.3° |
| C1' | C2' | C3' | 104.8° | 104.2° |
| C2' | C1' | H1' | 109.6° | 109.9° |
| C1' | C2' | H2' | 111.1° | 110.5° |
| C1' | C2' | H2'A | 111.1° | 110.5° |
| C1' | O4' | C4' | 110.6° | 107.0° |
| O4' | C1' | H1' | 112.5° | 110.0° |
| C2' | C3' | O3' | 111.0° | 110.9° |
| C2' | C3' | C4' | 106.2° | 102.1° |
| C3' | C2' | H2' | 111.1° | 110.4° |
| C3' | C2' | H2'A | 111.1° | 110.5° |
| C2' | C3' | H3' | 110.6° | 110.9° |
| O3' | C3' | C4' | 109.6° | 110.9° |
| O3' | C3' | H3' | 107.4° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | O4' | 107.0° | 103.5° |
| C3' | C4' | C5' | 111.5° | 110.6° |
| C4' | C3' | H3' | 112.1° | 110.9° |
| C3' | C4' | H4' | 109.6° | 110.6° |
| O4' | C4' | C5' | 109.1° | 110.6° |
| O4' | C4' | H4' | 112.0° | 110.6° |
| C4' | C5' | O5' | 108.2° | 109.5° |
| C5' | C4' | H4' | 107.6° | 110.7° |
| C4' | C5' | H5' | 109.9° | 109.5° |
| C4' | C5' | H5'A | 109.9° | 109.5° |
| O5' | C5' | H5' | 109.9° | 109.5° |
| O5' | C5' | H5'A | 109.9° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| H2' | C2' | H2'A | 107.9° | 110.6° |
| H3M | C3M | H3MA | 109.5° | 109.5° |
| H3M | C3M | H3MB | 109.4° | 109.4° |
| H3MA | C3M | H3MB | 109.5° | 109.5° |
| H5' | C5' | H5'A | 109.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | OP1 | O5' | 124.3° | 120.0° |
| OP2 | P | OP1 | OP3 | 113.8° | 120.0° |
| OP2 | P | O5' | OP3 | 112.7° | 120.0° |
| OP2 | P | O5' | C5' | 30.3° | 65.0° |
| OP2 | P | OP3 | HOP3 | 126.5° | 60.1° |
| OP1 | P | O5' | OP3 | 115.5° | 120.0° |
| OP1 | P | O5' | C5' | 162.1° | 55.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 60.0° |
| P | O5' | C5' | C4' | 176.5° | 180.0° |
| O5' | P | OP2 | HOP2 | 124.2° | 60.0° |
| P | O5' | C5' | H5' | 56.5° | 60.0° |
| P | O5' | C5' | H5'A | 63.5° | 60.0° |
| O5' | P | OP3 | HOP3 | 117.3° | 179.9° |
| N1 | C2 | C3 | H2 | 180.0° | 180.0° |
| N1 | C2 | C3 | C4 | 0.1° | 0.0° |
| N1 | C2 | C3 | C3M | 179.9° | 179.9° |
| C2 | N1 | C6 | C5 | 0.0° | 0.1° |
| C2 | N1 | C6 | N6 | 179.9° | 180.0° |
| C6 | N1 | C2 | C3 | 0.1° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.1° |
| N1 | C6 | C5 | N6 | 179.9° | 179.9° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| C6 | N1 | C2 | H2 | 179.8° | 179.9° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
| C2 | C3 | C4 | C3M | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | N9 | 179.8° | 180.0° |
| C2 | C3 | C3M | H3M | 90.0° | 96.0° |
| C2 | C3 | C3M | H3MA | 150.0° | 143.9° |
| C2 | C3 | C3M | H3MB | 30.0° | 23.9° |
| C3 | C4 | C5 | N9 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | N7 | 180.0° | 180.0° |
| C3 | C4 | N9 | C8 | 180.0° | 180.0° |
| C3 | C4 | N9 | C1' | 0.4° | 0.1° |
| C4 | C3 | C2 | H2 | 179.9° | 179.9° |
| C4 | C3 | C3M | H3M | 90.0° | 84.1° |
| C4 | C3 | C3M | H3MA | 30.0° | 36.0° |
| C4 | C3 | C3M | H3MB | 150.0° | 156.1° |
| C3M | C3 | C4 | C5 | 180.0° | 179.9° |
| C3M | C3 | C4 | N9 | 0.2° | 0.1° |
| C3M | C3 | C2 | H2 | 0.1° | 0.0° |
| C3 | C3M | H3M | H3MA | 120.0° | 120.0° |
| C3 | C3M | H3M | H3MB | 120.0° | 119.9° |
| C3 | C3M | H3MA | H3MB | 120.0° | 120.1° |
| C4 | C5 | C6 | N7 | 179.8° | 180.0° |
| C4 | C5 | C6 | N6 | 180.0° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | C1' | 179.7° | 180.0° |
| N9 | C4 | C5 | C6 | 180.0° | 180.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| C4 | N9 | C8 | N7 | 0.1° | 0.1° |
| C4 | N9 | C8 | C1' | 179.6° | 179.9° |
| C4 | N9 | C1' | C2' | 140.5° | 83.0° |
| C4 | N9 | C1' | O4' | 102.0° | 159.2° |
| C4 | N9 | C8 | H8 | 179.9° | 179.9° |
| C4 | N9 | C1' | H1' | 20.2° | 38.0° |
| C6 | C5 | N7 | C8 | 179.9° | 179.9° |
| C5 | C6 | N6 | HN6 | 179.9° | 179.9° |
| C5 | C6 | N6 | HN6A | 60.1° | 0.0° |
| N7 | C5 | C6 | N6 | 0.2° | 0.0° |
| C5 | N7 | C8 | N9 | 0.0° | 0.1° |
| C5 | N7 | C8 | H8 | 180.0° | 179.9° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 179.7° | 180.0° |
| C8 | N9 | C1' | C2' | 40.0° | 97.1° |
| C8 | N9 | C1' | O4' | 77.5° | 20.7° |
| C8 | N9 | C1' | H1' | 160.3° | 141.9° |
| N9 | C1' | C2' | O4' | 118.8° | 119.4° |
| N9 | C1' | C2' | H1' | 119.1° | 121.0° |
| N9 | C1' | O4' | H1' | 119.1° | 121.1° |
| N9 | C1' | C2' | C3' | 137.4° | 121.5° |
| N9 | C1' | O4' | C4' | 143.6° | 145.9° |
| C1' | N9 | C8 | H8 | 0.3° | 0.1° |
| N9 | C1' | C2' | H2' | 102.7° | 119.9° |
| N9 | C1' | C2' | H2'A | 17.4° | 2.8° |
| C2' | C1' | O4' | H1' | 120.3° | 119.5° |
| C1' | C2' | C3' | H2' | 120.0° | 118.7° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.7° |
| C1' | C2' | C3' | O3' | 110.9° | 139.1° |
| C1' | C2' | C3' | C4' | 8.2° | 20.9° |
| C2' | C1' | O4' | C4' | 22.9° | 26.5° |
| C1' | C2' | H2' | H2'A | 121.9° | 122.7° |
| C1' | C2' | C3' | H3' | 130.0° | 97.4° |
| O4' | C1' | C2' | C3' | 18.6° | 2.0° |
| C1' | O4' | C4' | C3' | 17.5° | 40.1° |
| C1' | O4' | C4' | C5' | 138.3° | 158.6° |
| O4' | C1' | C2' | H2' | 138.6° | 120.7° |
| O4' | C1' | C2' | H2'A | 101.4° | 116.6° |
| C1' | O4' | C4' | H4' | 102.7° | 78.4° |
| C2' | C3' | O3' | C4' | 117.0° | 112.7° |
| C2' | C3' | O3' | H3' | 121.1° | 123.6° |
| C2' | C3' | C4' | H3' | 120.9° | 118.2° |
| C2' | C3' | C4' | O4' | 5.0° | 37.0° |
| C2' | C3' | C4' | C5' | 124.2° | 155.5° |
| C3' | C2' | C1' | H1' | 103.5° | 117.5° |
| C3' | C2' | H2' | H2'A | 121.9° | 122.6° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| C2' | C3' | C4' | H4' | 116.7° | 81.5° |
| O3' | C3' | C4' | H3' | 119.1° | 123.6° |
| O3' | C3' | C4' | O4' | 124.9° | 155.2° |
| O3' | C3' | C4' | C5' | 115.8° | 86.3° |
| O3' | C3' | C2' | H2' | 9.1° | 20.4° |
| O3' | C3' | C2' | H2'A | 129.2° | 102.2° |
| O3' | C3' | C4' | H4' | 3.2° | 36.7° |
| C3' | C4' | O4' | C5' | 120.8° | 118.5° |
| C3' | C4' | O4' | H4' | 120.2° | 118.5° |
| C3' | C4' | C5' | H4' | 120.3° | 123.0° |
| C3' | C4' | C5' | O5' | 53.4° | 175.0° |
| C4' | C3' | C2' | H2' | 128.2° | 97.8° |
| C4' | C3' | C2' | H2'A | 111.8° | 139.5° |
| C4' | C3' | O3' | HO3' | 63.0° | 174.1° |
| C3' | C4' | C5' | H5' | 173.4° | 55.0° |
| C3' | C4' | C5' | H5'A | 66.6° | 65.0° |
| O4' | C4' | C5' | H4' | 121.8° | 123.0° |
| O4' | C4' | C5' | O5' | 64.6° | 70.9° |
| C4' | O4' | C1' | H1' | 97.3° | 93.0° |
| O4' | C4' | C3' | H3' | 116.0° | 81.2° |
| O4' | C4' | C5' | H5' | 55.4° | 169.1° |
| O4' | C4' | C5' | H5'A | 175.4° | 49.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C5' | C4' | C3' | H3' | 3.3° | 37.3° |
| C4' | C5' | H5' | H5'A | 120.5° | 120.0° |
| C5' | O5' | P | OP3 | 82.4° | 175.0° |
| O5' | C5' | C4' | H4' | 173.7° | 52.0° |
| O5' | C5' | H5' | H5'A | 120.5° | 120.0° |
| OP3 | P | OP2 | HOP2 | 115.1° | 60.0° |
| H1' | C1' | C2' | H2' | 16.5° | 1.1° |
| H1' | C1' | C2' | H2'A | 136.5° | 123.8° |
| H2' | C2' | C3' | H3' | 110.0° | 144.0° |
| H2'A | C2' | C3' | H3' | 10.0° | 21.3° |
| H3' | C3' | O3' | HO3' | 58.9° | 62.2° |
| H3' | C3' | C4' | H4' | 122.3° | 160.4° |
| H3M | C3M | H3MA | H3MB | 120.0° | 120.0° |
| H4' | C4' | C5' | H5' | 66.3° | 68.0° |
| H4' | C4' | C5' | H5'A | 53.7° | 172.1° |
