MIA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | sing | 1.61Å | 1.61Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| P | O5' | sing | 1.61Å | 1.60Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| 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 | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| 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 | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.36Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.36Å | |
| C6 | N1 | doub | 1.33Å | 1.38Å | Aromatic |
| N6 | C12 | sing | 1.47Å | 1.56Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N1 | C2 | sing | 1.33Å | 1.37Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | S10 | sing | 1.76Å | 1.76Å | |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| S10 | C11 | sing | 1.81Å | 1.81Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.31Å | 1.39Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.51Å | 1.48Å | |
| C14 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| OP3 | P | OP1 | 108.0° | 109.5° |
| OP3 | P | OP2 | 107.4° | 109.5° |
| OP3 | P | O5' | 104.6° | 109.4° |
| OP1 | P | OP2 | 119.6° | 109.5° |
| OP1 | P | O5' | 108.3° | 109.5° |
| OP2 | P | O5' | 108.0° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| P | O5' | C5' | 120.9° | 123.0° |
| O5' | C5' | C4' | 110.8° | 109.5° |
| O5' | C5' | H5' | 109.1° | 109.5° |
| O5' | C5' | H5'' | 109.2° | 109.5° |
| C4' | C5' | H5' | 109.1° | 109.5° |
| C4' | C5' | H5'' | 109.1° | 109.5° |
| C5' | C4' | O4' | 109.0° | 109.9° |
| C5' | C4' | C3' | 117.2° | 109.9° |
| C5' | C4' | H4' | 108.6° | 109.9° |
| H5' | C5' | H5'' | 109.5° | 109.4° |
| O4' | C4' | C3' | 104.0° | 107.3° |
| O4' | C4' | H4' | 109.4° | 109.9° |
| C4' | O4' | C1' | 109.7° | 107.0° |
| C3' | C4' | H4' | 108.5° | 110.0° |
| C4' | C3' | O3' | 114.2° | 110.5° |
| C4' | C3' | C2' | 102.4° | 104.2° |
| C4' | C3' | H3' | 108.9° | 110.5° |
| O4' | C1' | C2' | 107.6° | 103.5° |
| O4' | C1' | N9 | 108.7° | 110.6° |
| O4' | C1' | H1' | 111.9° | 110.6° |
| O3' | C3' | C2' | 111.9° | 110.5° |
| O3' | C3' | H3' | 110.2° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C2' | C3' | H3' | 108.9° | 110.6° |
| C3' | C2' | O2' | 114.2° | 110.9° |
| C3' | C2' | C1' | 101.2° | 102.1° |
| C3' | C2' | H2' | 109.6° | 111.0° |
| O2' | C2' | C1' | 110.6° | 110.9° |
| O2' | C2' | H2' | 111.1° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 113.9° |
| C1' | C2' | H2' | 109.6° | 110.9° |
| C2' | C1' | N9 | 107.0° | 110.6° |
| C2' | C1' | H1' | 110.2° | 110.6° |
| N9 | C1' | H1' | 111.2° | 110.7° |
| C1' | N9 | C8 | 130.2° | 126.3° |
| C1' | N9 | C4 | 124.0° | 126.3° |
| C8 | N9 | C4 | 105.7° | 107.5° |
| N9 | C8 | N7 | 113.6° | 109.9° |
| N9 | C8 | H8 | 123.2° | 125.1° |
| N9 | C4 | C5 | 105.4° | 106.0° |
| N9 | C4 | N3 | 126.7° | 134.9° |
| N7 | C8 | H8 | 123.2° | 125.0° |
| C8 | N7 | C5 | 104.2° | 109.4° |
| N7 | C5 | C6 | 131.7° | 134.6° |
| N7 | C5 | C4 | 111.0° | 107.1° |
| C6 | C5 | C4 | 117.3° | 118.3° |
| C5 | C6 | N6 | 125.9° | 120.7° |
| C5 | C6 | N1 | 117.1° | 118.6° |
| C5 | C4 | N3 | 128.0° | 119.1° |
| N6 | C6 | N1 | 116.9° | 120.7° |
| C6 | N6 | C12 | 110.3° | 120.0° |
| C6 | N6 | HN6 | 109.3° | 120.0° |
| C6 | N1 | C2 | 119.2° | 121.1° |
| C12 | N6 | HN6 | 109.3° | 120.0° |
| N6 | C12 | C13 | 120.9° | 109.5° |
| N6 | C12 | H121 | 106.5° | 109.5° |
| N6 | C12 | H122 | 106.5° | 109.5° |
| N1 | C2 | N3 | 127.7° | 122.2° |
| N1 | C2 | S10 | 117.0° | 118.9° |
| N3 | C2 | S10 | 115.3° | 118.9° |
| C2 | N3 | C4 | 110.8° | 120.6° |
| C2 | S10 | C11 | 103.9° | 100.0° |
| S10 | C11 | H111 | 109.5° | 109.5° |
| S10 | C11 | H112 | 109.5° | 109.5° |
| S10 | C11 | H113 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.4° | 109.5° |
| C13 | C12 | H121 | 106.5° | 109.5° |
| C13 | C12 | H122 | 106.5° | 109.5° |
| C12 | C13 | C14 | 112.1° | 120.0° |
| C12 | C13 | H131 | 124.0° | 120.0° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| C14 | C13 | H131 | 124.0° | 120.0° |
| C13 | C14 | C15 | 128.1° | 120.0° |
| C13 | C14 | C16 | 118.4° | 120.0° |
| C15 | C14 | C16 | 110.6° | 120.0° |
| C14 | C15 | H151 | 109.5° | 109.5° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| C14 | C15 | H153 | 109.5° | 109.5° |
| C14 | C16 | H161 | 109.5° | 109.5° |
| C14 | C16 | H162 | 109.4° | 109.5° |
| C14 | C16 | H163 | 109.4° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.4° |
| H152 | C15 | H153 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP1 | OP2 | 123.0° | 120.0° |
| OP3 | P | OP1 | O5' | 112.8° | 120.0° |
| OP3 | P | OP2 | O5' | 112.3° | 120.0° |
| OP3 | P | OP2 | HOP2 | 123.4° | 60.0° |
| OP3 | P | O5' | C5' | 81.0° | 175.0° |
| HOP3 | OP3 | P | OP1 | 0.0° | 60.0° |
| HOP3 | OP3 | P | OP2 | 130.2° | 60.0° |
| HOP3 | OP3 | P | O5' | 115.2° | 180.0° |
| OP1 | P | OP2 | O5' | 124.3° | 120.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
| OP1 | P | O5' | C5' | 34.0° | 55.0° |
| OP2 | P | O5' | C5' | 164.8° | 65.0° |
| O5' | P | OP2 | HOP2 | 124.3° | 60.0° |
| P | O5' | C5' | C4' | 164.4° | 180.0° |
| P | O5' | C5' | H5' | 75.5° | 60.0° |
| P | O5' | C5' | H5'' | 44.1° | 60.0° |
| O5' | C5' | C4' | H5' | 120.2° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.2° | 120.0° |
| O5' | C5' | H5' | H5'' | 119.4° | 120.0° |
| O5' | C5' | C4' | O4' | 56.6° | 66.4° |
| O5' | C5' | C4' | C3' | 61.1° | 175.7° |
| O5' | C5' | C4' | H4' | 175.7° | 54.6° |
| C4' | C5' | H5' | H5'' | 119.4° | 120.0° |
| C5' | C4' | O4' | C3' | 125.7° | 119.4° |
| C5' | C4' | O4' | H4' | 118.6° | 121.0° |
| C5' | C4' | C3' | H4' | 123.3° | 121.1° |
| C5' | C4' | O4' | C1' | 146.4° | 145.9° |
| C5' | C4' | C3' | O3' | 82.3° | 119.8° |
| C5' | C4' | C3' | C2' | 156.5° | 121.4° |
| C5' | C4' | C3' | H3' | 41.4° | 2.7° |
| H5' | C5' | C4' | O4' | 176.7° | 53.5° |
| H5' | C5' | C4' | C3' | 59.1° | 64.3° |
| H5' | C5' | C4' | H4' | 64.2° | 174.5° |
| H5'' | C5' | C4' | O4' | 63.7° | 173.5° |
| H5'' | C5' | C4' | C3' | 178.7° | 55.7° |
| H5'' | C5' | C4' | H4' | 55.4° | 65.5° |
| O4' | C4' | C3' | H4' | 116.4° | 119.5° |
| O4' | C4' | C3' | O3' | 157.4° | 120.7° |
| O4' | C4' | C3' | C2' | 36.2° | 2.0° |
| O4' | C4' | C3' | H3' | 78.9° | 116.8° |
| C4' | O4' | C1' | C2' | 3.4° | 40.1° |
| C4' | O4' | C1' | N9 | 112.2° | 158.6° |
| C4' | O4' | C1' | H1' | 124.6° | 78.4° |
| C3' | C4' | O4' | C1' | 20.7° | 26.5° |
| C4' | C3' | O3' | C2' | 115.7° | 114.8° |
| C4' | C3' | O3' | H3' | 122.9° | 122.5° |
| C4' | C3' | C2' | H3' | 115.1° | 118.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | O2' | 81.7° | 139.1° |
| C4' | C3' | C2' | C1' | 37.2° | 20.9° |
| C4' | C3' | C2' | H2' | 152.9° | 97.4° |
| H4' | C4' | O4' | C1' | 95.0° | 93.1° |
| H4' | C4' | C3' | O3' | 41.1° | 1.2° |
| H4' | C4' | C3' | C2' | 80.1° | 117.5° |
| H4' | C4' | C3' | H3' | 164.7° | 123.7° |
| O4' | C1' | C2' | C3' | 25.8° | 37.0° |
| O4' | C1' | C2' | O2' | 95.6° | 155.2° |
| O4' | C1' | C2' | N9 | 116.7° | 118.5° |
| O4' | C1' | C2' | H1' | 122.2° | 118.5° |
| O4' | C1' | C2' | H2' | 141.5° | 81.3° |
| O4' | C1' | N9 | H1' | 123.6° | 123.0° |
| O4' | C1' | N9 | C8 | 1.3° | 23.6° |
| O4' | C1' | N9 | C4 | 177.2° | 156.7° |
| O3' | C3' | C2' | H3' | 122.1° | 122.6° |
| O3' | C3' | C2' | O2' | 41.1° | 20.4° |
| O3' | C3' | C2' | C1' | 160.0° | 97.8° |
| O3' | C3' | C2' | H2' | 84.3° | 144.0° |
| C2' | C3' | O3' | HO3' | 64.3° | 65.2° |
| C3' | C2' | O2' | C1' | 113.4° | 112.7° |
| C3' | C2' | O2' | H2' | 124.6° | 123.7° |
| C3' | C2' | C1' | H2' | 115.7° | 118.3° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.4° |
| C3' | C2' | C1' | N9 | 90.9° | 155.6° |
| C3' | C2' | C1' | H1' | 148.1° | 81.4° |
| H3' | C3' | O3' | HO3' | 57.1° | 57.5° |
| H3' | C3' | C2' | O2' | 163.2° | 102.2° |
| H3' | C3' | C2' | C1' | 77.9° | 139.6° |
| H3' | C3' | C2' | H2' | 37.8° | 21.3° |
| O2' | C2' | C1' | H2' | 122.8° | 123.5° |
| O2' | C2' | C1' | N9 | 147.7° | 86.3° |
| O2' | C2' | C1' | H1' | 26.6° | 36.8° |
| C1' | C2' | O2' | HO2' | 66.6° | 174.1° |
| C2' | C1' | N9 | H1' | 120.4° | 123.0° |
| C2' | C1' | N9 | C8 | 114.7° | 90.5° |
| C2' | C1' | N9 | C4 | 61.3° | 89.2° |
| H2' | C2' | O2' | HO2' | 55.4° | 62.2° |
| H2' | C2' | C1' | N9 | 24.9° | 37.3° |
| H2' | C2' | C1' | H1' | 96.2° | 160.3° |
| C1' | N9 | C8 | C4 | 176.5° | 179.7° |
| C1' | N9 | C8 | N7 | 174.5° | 180.0° |
| C1' | N9 | C8 | H8 | 5.5° | 0.1° |
| C1' | N9 | C4 | C5 | 174.4° | 179.9° |
| C1' | N9 | C4 | N3 | 4.9° | 0.8° |
| H1' | C1' | N9 | C8 | 124.9° | 146.6° |
| H1' | C1' | N9 | C4 | 59.2° | 33.8° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.6° | 0.0° |
| C8 | N9 | C4 | C5 | 2.4° | 0.4° |
| C8 | N9 | C4 | N3 | 178.3° | 179.5° |
| C4 | N9 | C8 | N7 | 2.0° | 0.3° |
| C4 | N9 | C8 | H8 | 178.0° | 179.8° |
| N9 | C4 | C5 | N7 | 2.2° | 0.4° |
| N9 | C4 | C5 | C6 | 178.8° | 179.8° |
| N9 | C4 | C5 | N3 | 179.3° | 179.2° |
| N9 | C4 | N3 | C2 | 178.0° | 179.6° |
| C8 | N7 | C5 | C6 | 179.8° | 180.0° |
| C8 | N7 | C5 | C4 | 1.0° | 0.3° |
| H8 | C8 | N7 | C5 | 179.4° | 179.9° |
| N7 | C5 | C6 | C4 | 178.7° | 179.7° |
| N7 | C5 | C6 | N6 | 3.1° | 0.0° |
| N7 | C5 | C6 | N1 | 178.6° | 180.0° |
| N7 | C5 | C4 | N3 | 178.5° | 179.7° |
| C5 | C6 | N6 | N1 | 178.4° | 179.9° |
| C5 | C6 | N6 | C12 | 161.8° | 180.0° |
| C5 | C6 | N6 | HN6 | 78.1° | 0.0° |
| C5 | C6 | N1 | C2 | 0.6° | 0.0° |
| C6 | C5 | C4 | N3 | 0.5° | 0.6° |
| C4 | C5 | C6 | N6 | 178.2° | 179.7° |
| C4 | C5 | C6 | N1 | 0.1° | 0.3° |
| C5 | C4 | N3 | C2 | 1.1° | 0.6° |
| C6 | N6 | C12 | HN6 | 120.1° | 180.0° |
| N6 | C6 | N1 | C2 | 177.9° | 180.0° |
| C6 | N6 | C12 | C13 | 161.0° | 180.0° |
| C6 | N6 | C12 | H121 | 77.4° | 60.0° |
| C6 | N6 | C12 | H122 | 39.4° | 60.0° |
| N1 | C6 | N6 | C12 | 16.6° | 0.1° |
| N1 | C6 | N6 | HN6 | 103.6° | 180.0° |
| C6 | N1 | C2 | N3 | 1.5° | 0.0° |
| C6 | N1 | C2 | S10 | 179.9° | 180.0° |
| N6 | C12 | C13 | H121 | 121.6° | 120.0° |
| N6 | C12 | C13 | H122 | 121.6° | 120.0° |
| N6 | C12 | H121 | H122 | 114.8° | 120.0° |
| N6 | C12 | C13 | C14 | 162.4° | 124.0° |
| N6 | C12 | C13 | H131 | 17.7° | 56.0° |
| HN6 | N6 | C12 | C13 | 40.8° | 0.1° |
| HN6 | N6 | C12 | H121 | 162.4° | 120.1° |
| HN6 | N6 | C12 | H122 | 80.8° | 120.0° |
| N1 | C2 | N3 | S10 | 178.4° | 180.0° |
| N1 | C2 | N3 | C4 | 1.6° | 0.4° |
| N1 | C2 | S10 | C11 | 179.5° | 0.0° |
| N3 | C2 | S10 | C11 | 2.0° | 180.0° |
| S10 | C2 | N3 | C4 | 180.0° | 179.7° |
| C2 | S10 | C11 | H111 | 180.0° | 60.0° |
| C2 | S10 | C11 | H112 | 60.0° | 180.0° |
| C2 | S10 | C11 | H113 | 60.0° | 60.0° |
| S10 | C11 | H111 | H112 | 120.0° | 120.0° |
| S10 | C11 | H111 | H113 | 120.0° | 120.0° |
| S10 | C11 | H112 | H113 | 120.0° | 120.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| C13 | C12 | H121 | H122 | 114.8° | 120.0° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 155.0° | 6.2° |
| C12 | C13 | C14 | C16 | 3.8° | 173.7° |
| H121 | C12 | C13 | C14 | 76.0° | 116.0° |
| H121 | C12 | C13 | H131 | 103.9° | 64.0° |
| H122 | C12 | C13 | C14 | 40.8° | 4.0° |
| H122 | C12 | C13 | H131 | 139.3° | 176.0° |
| C13 | C14 | C15 | C16 | 160.2° | 180.0° |
| C13 | C14 | C15 | H151 | 180.0° | 85.0° |
| C13 | C14 | C15 | H152 | 60.0° | 154.9° |
| C13 | C14 | C15 | H153 | 60.0° | 34.9° |
| C13 | C14 | C16 | H161 | 180.0° | 60.0° |
| C13 | C14 | C16 | H162 | 60.0° | 180.0° |
| C13 | C14 | C16 | H163 | 60.0° | 60.0° |
| H131 | C13 | C14 | C15 | 25.0° | 173.8° |
| H131 | C13 | C14 | C16 | 176.2° | 6.2° |
| C14 | C15 | H151 | H152 | 120.0° | 120.1° |
| C14 | C15 | H151 | H153 | 120.0° | 120.0° |
| C14 | C15 | H152 | H153 | 120.0° | 120.0° |
| C15 | C14 | C16 | H161 | 17.7° | 120.0° |
| C15 | C14 | C16 | H162 | 137.7° | 0.1° |
| C15 | C14 | C16 | H163 | 102.4° | 120.0° |
| C16 | C14 | C15 | H151 | 19.9° | 94.9° |
| C16 | C14 | C15 | H152 | 100.2° | 25.1° |
| C16 | C14 | C15 | H153 | 139.9° | 145.1° |
| C14 | C16 | H161 | H162 | 120.0° | 120.0° |
| C14 | C16 | H161 | H163 | 120.0° | 120.0° |
| C14 | C16 | H162 | H163 | 120.0° | 120.1° |
| H151 | C15 | H152 | H153 | 120.0° | 119.9° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
