6IA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | sing | 1.61Å | 27.54Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.00Å | |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.50Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C1' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.47Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C6 | N1 | doub | 1.33Å | 1.37Å | Aromatic |
| N6 | C12 | sing | 1.46Å | 34.18Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N1 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 0.00Å | |
| C12 | H121 | sing | 1.09Å | 0.00Å | |
| C12 | H122 | sing | 1.09Å | 0.00Å | |
| C13 | C14 | sing | 1.53Å | 0.00Å | |
| C13 | H131 | sing | 1.09Å | 0.00Å | |
| C13 | H132 | sing | 1.09Å | 0.00Å | |
| C14 | C15 | sing | 1.53Å | 0.00Å | |
| C14 | C16 | sing | 1.53Å | 0.00Å | |
| C14 | H14 | sing | 1.09Å | 0.00Å | |
| C15 | H151 | sing | 1.09Å | 0.00Å | |
| C15 | H152 | sing | 1.09Å | 0.00Å | |
| C15 | H153 | sing | 1.09Å | 0.00Å | |
| C16 | H161 | sing | 1.09Å | 0.00Å | |
| C16 | H162 | sing | 1.09Å | 0.00Å | |
| C16 | H163 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | OP3 | HOP3 | 90.0° | 114.0° |
| OP3 | P | OP1 | 122.6° | 109.5° |
| OP3 | P | OP2 | 23.9° | 109.5° |
| OP3 | P | O5' | 87.9° | 109.5° |
| OP1 | P | OP2 | 112.1° | 109.5° |
| OP1 | P | O5' | 114.6° | 109.5° |
| OP2 | P | O5' | 111.6° | 109.4° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| P | O5' | C5' | 119.9° | 123.0° |
| O5' | C5' | C4' | 106.8° | 109.4° |
| O5' | C5' | H5' | 110.4° | 109.5° |
| O5' | C5' | H5'' | 111.0° | 109.5° |
| C4' | C5' | H5' | 110.4° | 109.5° |
| C4' | C5' | H5'' | 110.9° | 109.5° |
| C5' | C4' | O4' | 110.4° | 109.9° |
| C5' | C4' | C3' | 115.5° | 109.8° |
| C5' | C4' | H4' | 103.4° | 109.9° |
| H5' | C5' | H5'' | 107.4° | 109.5° |
| O4' | C4' | C3' | 105.1° | 107.3° |
| O4' | C4' | H4' | 114.0° | 109.9° |
| C4' | O4' | C1' | 110.0° | 107.0° |
| C3' | C4' | H4' | 108.8° | 110.0° |
| C4' | C3' | O3' | 113.3° | 110.5° |
| C4' | C3' | C2' | 101.5° | 104.1° |
| C4' | C3' | H3' | 113.4° | 110.5° |
| O4' | C1' | C2' | 106.7° | 103.5° |
| O4' | C1' | N9 | 111.2° | 110.7° |
| O4' | C1' | H1' | 110.2° | 110.6° |
| O3' | C3' | C2' | 112.8° | 110.5° |
| O3' | C3' | H3' | 102.3° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C2' | C3' | H3' | 113.9° | 110.6° |
| C3' | C2' | O2' | 107.2° | 110.9° |
| C3' | C2' | C1' | 102.3° | 102.1° |
| C3' | C2' | H2' | 116.0° | 110.9° |
| O2' | C2' | C1' | 111.4° | 110.9° |
| O2' | C2' | H2' | 107.7° | 110.7° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C1' | C2' | H2' | 112.2° | 111.0° |
| C2' | C1' | N9 | 109.3° | 110.6° |
| C2' | C1' | H1' | 111.9° | 110.6° |
| N9 | C1' | H1' | 107.6° | 110.6° |
| C1' | N9 | C8 | 128.2° | 126.2° |
| C1' | N9 | C4 | 125.9° | 126.3° |
| C8 | N9 | C4 | 105.8° | 107.5° |
| N9 | C8 | N7 | 113.9° | 110.0° |
| N9 | C8 | H8 | 123.1° | 125.1° |
| N9 | C4 | C5 | 105.8° | 106.0° |
| N9 | C4 | N3 | 126.6° | 134.9° |
| N7 | C8 | H8 | 123.0° | 124.9° |
| C8 | N7 | C5 | 103.7° | 109.4° |
| N7 | C5 | C6 | 131.5° | 134.6° |
| N7 | C5 | C4 | 110.7° | 107.1° |
| C6 | C5 | C4 | 117.8° | 118.2° |
| C5 | C6 | N6 | 124.1° | 120.8° |
| C5 | C6 | N1 | 115.1° | 118.5° |
| C5 | C4 | N3 | 127.6° | 119.0° |
| N6 | C6 | N1 | 120.8° | 120.7° |
| C6 | N6 | C12 | 72.4° | 120.0° |
| C6 | N6 | HN6 | 124.4° | 120.0° |
| C6 | N1 | C2 | 121.7° | 121.1° |
| C12 | N6 | HN6 | 124.3° | 120.0° |
| N6 | C12 | C13 | 90.0° | 109.5° |
| N6 | C12 | H121 | 90.0° | 109.5° |
| N6 | C12 | H122 | 90.0° | 109.5° |
| N1 | C2 | N3 | 126.2° | 122.5° |
| N1 | C2 | H2 | 116.9° | 118.7° |
| N3 | C2 | H2 | 116.9° | 118.8° |
| C2 | N3 | C4 | 111.7° | 120.7° |
| C13 | C12 | H121 | 90.0° | 109.4° |
| C13 | C12 | H122 | 90.0° | 109.4° |
| C12 | C13 | C14 | 90.0° | 109.5° |
| C12 | C13 | H131 | 90.0° | 109.5° |
| C12 | C13 | H132 | 90.0° | 109.5° |
| H121 | C12 | H122 | 90.0° | 109.5° |
| C14 | C13 | H131 | 90.0° | 109.4° |
| C14 | C13 | H132 | 90.0° | 109.5° |
| C13 | C14 | C15 | 90.0° | 109.5° |
| C13 | C14 | C16 | 90.0° | 109.4° |
| C13 | C14 | H14 | 90.0° | 109.5° |
| H131 | C13 | H132 | 90.0° | 109.5° |
| C15 | C14 | C16 | 90.0° | 109.5° |
| C15 | C14 | H14 | 90.0° | 109.5° |
| C14 | C15 | H151 | 90.0° | 109.5° |
| C14 | C15 | H152 | 90.0° | 109.5° |
| C14 | C15 | H153 | 90.0° | 109.5° |
| C16 | C14 | H14 | 90.0° | 109.5° |
| C14 | C16 | H161 | 90.0° | 109.4° |
| C14 | C16 | H162 | 90.0° | 109.5° |
| C14 | C16 | H163 | 90.0° | 109.5° |
| H151 | C15 | H152 | 90.0° | 109.4° |
| H151 | C15 | H153 | 90.0° | 109.5° |
| H152 | C15 | H153 | 90.0° | 109.5° |
| H161 | C16 | H162 | 90.0° | 109.5° |
| H161 | C16 | H163 | 90.0° | 109.5° |
| H162 | C16 | H163 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP1 | OP2 | 24.3° | 120.0° |
| OP3 | P | OP1 | O5' | 104.2° | 120.0° |
| OP3 | P | OP2 | O5' | 8.8° | 120.0° |
| OP3 | P | OP2 | HOP2 | 105.2° | 59.9° |
| OP3 | P | O5' | C5' | 115.8° | 175.0° |
| HOP3 | OP3 | P | OP1 | 90.0° | 60.0° |
| HOP3 | OP3 | P | OP2 | 90.0° | 60.1° |
| HOP3 | OP3 | P | O5' | 90.0° | 180.0° |
| OP1 | P | OP2 | O5' | 130.1° | 120.0° |
| OP1 | P | OP2 | HOP2 | 133.5° | 180.0° |
| OP1 | P | O5' | C5' | 119.0° | 55.0° |
| OP2 | P | O5' | C5' | 112.3° | 65.0° |
| O5' | P | OP2 | HOP2 | 96.4° | 60.0° |
| P | O5' | C5' | C4' | 133.5° | 179.9° |
| P | O5' | C5' | H5' | 106.5° | 60.0° |
| P | O5' | C5' | H5'' | 12.5° | 60.1° |
| O5' | C5' | C4' | H5' | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'' | 121.1° | 120.0° |
| O5' | C5' | H5' | H5'' | 121.1° | 120.0° |
| O5' | C5' | C4' | O4' | 96.9° | 66.5° |
| O5' | C5' | C4' | C3' | 22.2° | 175.7° |
| O5' | C5' | C4' | H4' | 140.8° | 54.6° |
| C4' | C5' | H5' | H5'' | 121.1° | 120.0° |
| C5' | C4' | O4' | C3' | 125.2° | 119.4° |
| C5' | C4' | O4' | H4' | 115.8° | 121.0° |
| C5' | C4' | C3' | H4' | 115.6° | 121.1° |
| C5' | C4' | O4' | C1' | 148.3° | 145.9° |
| C5' | C4' | C3' | O3' | 80.3° | 119.9° |
| C5' | C4' | C3' | C2' | 158.4° | 121.5° |
| C5' | C4' | C3' | H3' | 35.7° | 2.7° |
| H5' | C5' | C4' | O4' | 143.1° | 53.5° |
| H5' | C5' | C4' | C3' | 97.8° | 64.3° |
| H5' | C5' | C4' | H4' | 20.8° | 174.5° |
| H5'' | C5' | C4' | O4' | 24.2° | 173.5° |
| H5'' | C5' | C4' | C3' | 143.2° | 55.7° |
| H5'' | C5' | C4' | H4' | 98.1° | 65.4° |
| O4' | C4' | C3' | H4' | 122.5° | 119.5° |
| O4' | C4' | C3' | O3' | 157.7° | 120.7° |
| O4' | C4' | C3' | C2' | 36.5° | 2.0° |
| O4' | C4' | C3' | H3' | 86.2° | 116.8° |
| C4' | O4' | C1' | C2' | 0.0° | 40.0° |
| C4' | O4' | C1' | N9 | 119.0° | 158.6° |
| C4' | O4' | C1' | H1' | 121.8° | 78.4° |
| C3' | C4' | O4' | C1' | 23.1° | 26.5° |
| C4' | C3' | O3' | C2' | 114.7° | 114.7° |
| C4' | C3' | O3' | H3' | 122.5° | 122.6° |
| C4' | C3' | C2' | H3' | 122.3° | 118.8° |
| C4' | C3' | O3' | HO3' | 4.0° | 180.0° |
| C4' | C3' | C2' | O2' | 82.0° | 139.1° |
| C4' | C3' | C2' | C1' | 35.3° | 20.9° |
| C4' | C3' | C2' | H2' | 157.7° | 97.4° |
| H4' | C4' | O4' | C1' | 95.9° | 93.1° |
| H4' | C4' | C3' | O3' | 35.3° | 1.2° |
| H4' | C4' | C3' | C2' | 86.0° | 117.4° |
| H4' | C4' | C3' | H3' | 151.3° | 123.7° |
| O4' | C1' | C2' | C3' | 22.8° | 37.0° |
| O4' | C1' | C2' | O2' | 91.4° | 155.2° |
| O4' | C1' | C2' | N9 | 120.3° | 118.6° |
| O4' | C1' | C2' | H1' | 120.6° | 118.5° |
| O4' | C1' | C2' | H2' | 147.9° | 81.3° |
| O4' | C1' | N9 | H1' | 120.7° | 123.0° |
| O4' | C1' | N9 | C8 | 10.4° | 23.6° |
| O4' | C1' | N9 | C4 | 167.6° | 156.7° |
| O3' | C3' | C2' | H3' | 116.1° | 122.6° |
| O3' | C3' | C2' | O2' | 39.7° | 20.4° |
| O3' | C3' | C2' | C1' | 156.9° | 97.8° |
| O3' | C3' | C2' | H2' | 80.6° | 143.9° |
| C2' | C3' | O3' | HO3' | 118.7° | 65.3° |
| C3' | C2' | O2' | C1' | 111.1° | 112.8° |
| C3' | C2' | O2' | H2' | 125.5° | 123.6° |
| C3' | C2' | C1' | H2' | 125.0° | 118.3° |
| C3' | C2' | O2' | HO2' | 126.0° | 61.4° |
| C3' | C2' | C1' | N9 | 97.5° | 155.6° |
| C3' | C2' | C1' | H1' | 143.4° | 81.5° |
| H3' | C3' | O3' | HO3' | 118.5° | 57.4° |
| H3' | C3' | C2' | O2' | 155.7° | 102.2° |
| H3' | C3' | C2' | C1' | 87.0° | 139.6° |
| H3' | C3' | C2' | H2' | 35.4° | 21.3° |
| O2' | C2' | C1' | H2' | 120.8° | 123.5° |
| O2' | C2' | C1' | N9 | 148.4° | 86.2° |
| O2' | C2' | C1' | H1' | 29.2° | 36.7° |
| C1' | C2' | O2' | HO2' | 122.9° | 174.2° |
| C2' | C1' | N9 | H1' | 121.8° | 122.9° |
| C2' | C1' | N9 | C8 | 107.1° | 90.5° |
| C2' | C1' | N9 | C4 | 74.9° | 89.2° |
| H2' | C2' | O2' | HO2' | 0.5° | 62.1° |
| H2' | C2' | C1' | N9 | 27.6° | 37.3° |
| H2' | C2' | C1' | H1' | 91.6° | 160.2° |
| C1' | N9 | C8 | C4 | 178.3° | 179.7° |
| C1' | N9 | C8 | N7 | 179.0° | 180.0° |
| C1' | N9 | C8 | H8 | 1.0° | 0.0° |
| C1' | N9 | C4 | C5 | 179.0° | 179.8° |
| C1' | N9 | C4 | N3 | 1.5° | 0.8° |
| H1' | C1' | N9 | C8 | 131.1° | 146.6° |
| H1' | C1' | N9 | C4 | 46.9° | 33.7° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.4° | 0.0° |
| C8 | N9 | C4 | C5 | 0.6° | 0.4° |
| C8 | N9 | C4 | N3 | 179.8° | 179.4° |
| C4 | N9 | C8 | N7 | 0.7° | 0.3° |
| C4 | N9 | C8 | H8 | 179.3° | 179.8° |
| N9 | C4 | C5 | N7 | 0.4° | 0.4° |
| N9 | C4 | C5 | C6 | 179.6° | 179.9° |
| N9 | C4 | C5 | N3 | 179.5° | 179.2° |
| N9 | C4 | N3 | C2 | 179.5° | 179.6° |
| C8 | N7 | C5 | C6 | 180.0° | 179.9° |
| C8 | N7 | C5 | C4 | 0.0° | 0.3° |
| H8 | C8 | N7 | C5 | 179.6° | 180.0° |
| N7 | C5 | C6 | C4 | 179.9° | 179.6° |
| N7 | C5 | C6 | N6 | 0.1° | 0.1° |
| N7 | C5 | C6 | N1 | 180.0° | 180.0° |
| N7 | C5 | C4 | N3 | 180.0° | 179.6° |
| C5 | C6 | N6 | N1 | 179.9° | 179.9° |
| C5 | C6 | N6 | C12 | 44.0° | 180.0° |
| C5 | C6 | N6 | HN6 | 164.0° | 0.1° |
| C5 | C6 | N1 | C2 | 0.1° | 0.1° |
| C6 | C5 | C4 | N3 | 0.1° | 0.7° |
| C4 | C5 | C6 | N6 | 180.0° | 179.7° |
| C4 | C5 | C6 | N1 | 0.1° | 0.4° |
| C5 | C4 | N3 | C2 | 0.1° | 0.7° |
| C6 | N6 | C12 | HN6 | 120.0° | 179.9° |
| N6 | C6 | N1 | C2 | 180.0° | 180.0° |
| C6 | N6 | C12 | C13 | 90.0° | 180.0° |
| C6 | N6 | C12 | H121 | 90.0° | 60.0° |
| C6 | N6 | C12 | H122 | 90.0° | 60.1° |
| N1 | C6 | N6 | C12 | 135.9° | 0.1° |
| N1 | C6 | N6 | HN6 | 15.9° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.1° |
| C6 | N1 | C2 | H2 | 180.0° | 179.9° |
| N6 | C12 | C13 | H121 | 90.0° | 120.0° |
| N6 | C12 | C13 | H122 | 90.0° | 120.0° |
| N6 | C12 | H121 | H122 | 90.0° | 120.1° |
| N6 | C12 | C13 | C14 | 90.0° | 180.0° |
| N6 | C12 | C13 | H131 | 90.0° | 60.0° |
| N6 | C12 | C13 | H132 | 90.0° | 60.0° |
| HN6 | N6 | C12 | C13 | 90.0° | 0.0° |
| HN6 | N6 | C12 | H121 | 90.0° | 120.0° |
| HN6 | N6 | C12 | H122 | 90.0° | 120.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.0° | 0.5° |
| H2 | C2 | N3 | C4 | 180.0° | 179.6° |
| C13 | C12 | H121 | H122 | 90.0° | 119.9° |
| C12 | C13 | C14 | H131 | 90.0° | 120.0° |
| C12 | C13 | C14 | H132 | 90.0° | 120.0° |
| C12 | C13 | H131 | H132 | 90.0° | 120.0° |
| C12 | C13 | C14 | C15 | 90.0° | 175.0° |
| C12 | C13 | C14 | C16 | 90.0° | 65.0° |
| C12 | C13 | C14 | H14 | 90.0° | 55.0° |
| H121 | C12 | C13 | C14 | 90.0° | 60.0° |
| H121 | C12 | C13 | H131 | 90.0° | 180.0° |
| H121 | C12 | C13 | H132 | 90.0° | 60.0° |
| H122 | C12 | C13 | C14 | 90.0° | 59.9° |
| H122 | C12 | C13 | H131 | 90.0° | 60.0° |
| H122 | C12 | C13 | H132 | 90.0° | 180.0° |
| C14 | C13 | H131 | H132 | 90.0° | 120.0° |
| C13 | C14 | C15 | C16 | 90.0° | 120.0° |
| C13 | C14 | C15 | H14 | 90.0° | 120.0° |
| C13 | C14 | C16 | H14 | 90.0° | 120.0° |
| C13 | C14 | C15 | H151 | 90.0° | 60.0° |
| C13 | C14 | C15 | H152 | 90.0° | 179.9° |
| C13 | C14 | C15 | H153 | 90.0° | 60.0° |
| C13 | C14 | C16 | H161 | 90.0° | 180.0° |
| C13 | C14 | C16 | H162 | 90.0° | 60.0° |
| C13 | C14 | C16 | H163 | 90.0° | 60.0° |
| H131 | C13 | C14 | C15 | 90.0° | 55.0° |
| H131 | C13 | C14 | C16 | 90.0° | 175.0° |
| H131 | C13 | C14 | H14 | 90.0° | 65.0° |
| H132 | C13 | C14 | C15 | 90.0° | 65.0° |
| H132 | C13 | C14 | C16 | 90.0° | 55.0° |
| H132 | C13 | C14 | H14 | 90.0° | 175.0° |
| C15 | C14 | C16 | H14 | 90.0° | 120.0° |
| C14 | C15 | H151 | H152 | 90.0° | 120.0° |
| C14 | C15 | H151 | H153 | 90.0° | 120.0° |
| C14 | C15 | H152 | H153 | 90.0° | 120.1° |
| C15 | C14 | C16 | H161 | 90.0° | 60.0° |
| C15 | C14 | C16 | H162 | 90.0° | 60.0° |
| C15 | C14 | C16 | H163 | 90.0° | 179.9° |
| C16 | C14 | C15 | H151 | 90.0° | 60.0° |
| C16 | C14 | C15 | H152 | 90.0° | 60.0° |
| C16 | C14 | C15 | H153 | 90.0° | 180.0° |
| C14 | C16 | H161 | H162 | 90.0° | 120.0° |
| C14 | C16 | H161 | H163 | 90.0° | 120.0° |
| C14 | C16 | H162 | H163 | 90.0° | 120.0° |
| H14 | C14 | C15 | H151 | 90.0° | 180.0° |
| H14 | C14 | C15 | H152 | 90.0° | 60.1° |
| H14 | C14 | C15 | H153 | 90.0° | 60.0° |
| H14 | C14 | C16 | H161 | 90.0° | 60.0° |
| H14 | C14 | C16 | H162 | 90.0° | 180.0° |
| H14 | C14 | C16 | H163 | 90.0° | 60.0° |
| H151 | C15 | H152 | H153 | 90.0° | 120.0° |
| H161 | C16 | H162 | H163 | 90.0° | 120.1° |
