T6A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.45Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| 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 | 1.41Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.97Å | |
| C1' | N9 | sing | 1.46Å | 1.45Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | 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 | 1.35Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.39Å | 1.46Å | |
| C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| N6 | C10 | sing | 1.35Å | 1.39Å | |
| N6 | HN6 | sing | 0.97Å | 1.01Å | |
| N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| C10 | N11 | sing | 1.35Å | 1.38Å | |
| N11 | C12 | sing | 1.47Å | 1.45Å | |
| N11 | HN1 | sing | 0.97Å | 1.01Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.09Å | |
| C13 | ODA | doub | 1.21Å | 1.25Å | |
| C13 | ODB | sing | 1.34Å | 1.25Å | |
| ODB | H13 | sing | 0.97Å | 0.95Å | |
| C14 | O14 | sing | 1.43Å | 1.41Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.09Å | |
| O14 | HO4 | sing | 0.97Å | 0.96Å | |
| C15 | H151 | sing | 1.09Å | 1.09Å | |
| C15 | H152 | sing | 1.09Å | 1.09Å | |
| C15 | H153 | sing | 1.09Å | 1.09Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.6° | 109.5° |
| OP1 | P | OP3 | 107.9° | 109.5° |
| OP1 | P | O5' | 108.0° | 109.5° |
| OP2 | P | OP3 | 108.1° | 109.5° |
| OP2 | P | O5' | 108.0° | 109.5° |
| P | OP2 | HOP2 | 119.6° | 106.8° |
| OP3 | P | O5' | 104.2° | 109.4° |
| P | OP3 | HOP3 | 107.9° | 106.9° |
| P | O5' | C5' | 121.1° | 106.8° |
| O5' | C5' | C4' | 108.7° | 109.5° |
| O5' | C5' | H5' | 110.3° | 109.5° |
| O5' | C5' | H5'' | 110.0° | 109.4° |
| C4' | C5' | H5' | 109.3° | 109.5° |
| C4' | C5' | H5'' | 109.0° | 109.4° |
| C5' | C4' | O4' | 109.9° | 110.4° |
| C5' | C4' | C3' | 113.4° | 110.5° |
| C5' | C4' | H4' | 110.4° | 110.3° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
| O4' | C4' | C3' | 105.7° | 104.8° |
| O4' | C4' | H4' | 108.1° | 110.4° |
| C4' | O4' | C1' | 110.2° | 105.3° |
| C3' | C4' | H4' | 109.1° | 110.4° |
| C4' | C3' | O3' | 110.7° | 110.5° |
| C4' | C3' | C2' | 102.2° | 104.1° |
| C4' | C3' | H3' | 108.2° | 110.5° |
| O4' | C1' | C2' | 106.8° | 104.9° |
| O4' | C1' | N9 | 111.3° | 110.4° |
| O4' | C1' | H1' | 108.6° | 110.3° |
| O3' | C3' | C2' | 113.0° | 110.5° |
| O3' | C3' | H3' | 111.6° | 110.4° |
| C3' | O3' | HO3' | 110.7° | 106.8° |
| C2' | C3' | H3' | 110.7° | 110.6° |
| C3' | C2' | O2' | 110.4° | 110.5° |
| C3' | C2' | C1' | 105.0° | 104.0° |
| C3' | C2' | H2' | 111.0° | 110.5° |
| O2' | C2' | C1' | 109.3° | 110.8° |
| O2' | C2' | H2' | 111.6° | 110.4° |
| C2' | O2' | HO2' | 109.3° | 106.8° |
| C1' | C2' | H2' | 109.3° | 110.4° |
| C2' | C1' | N9 | 110.0° | 110.4° |
| C2' | C1' | H1' | 109.7° | 110.4° |
| N9 | C1' | H1' | 110.4° | 110.4° |
| C1' | N9 | C8 | 125.7° | 126.3° |
| C1' | N9 | C4 | 125.1° | 126.3° |
| C8 | N9 | C4 | 108.9° | 107.4° |
| N9 | C8 | N7 | 111.3° | 110.0° |
| N9 | C8 | H8 | 124.5° | 125.0° |
| N9 | C4 | C5 | 104.1° | 106.0° |
| N9 | C4 | N3 | 128.1° | 135.0° |
| N7 | C8 | H8 | 124.2° | 125.0° |
| C8 | N7 | C5 | 104.5° | 109.5° |
| N7 | C5 | C6 | 133.1° | 134.8° |
| N7 | C5 | C4 | 111.3° | 107.0° |
| C6 | C5 | C4 | 115.6° | 118.2° |
| C5 | C6 | N6 | 119.8° | 120.8° |
| C5 | C6 | N1 | 117.0° | 118.4° |
| C5 | C4 | N3 | 127.8° | 119.0° |
| N6 | C6 | N1 | 123.2° | 120.8° |
| C6 | N6 | C10 | 124.8° | 120.0° |
| C6 | N6 | HN6 | 117.6° | 120.0° |
| C6 | N1 | C2 | 123.8° | 121.3° |
| C10 | N6 | HN6 | 117.6° | 120.0° |
| N6 | C10 | O10 | 118.7° | 120.0° |
| N6 | C10 | N11 | 122.2° | 120.0° |
| N1 | C2 | N3 | 122.1° | 122.4° |
| N1 | C2 | H2 | 119.0° | 118.8° |
| N3 | C2 | H2 | 118.9° | 118.8° |
| C2 | N3 | C4 | 113.6° | 120.6° |
| O10 | C10 | N11 | 119.0° | 120.0° |
| C10 | N11 | C12 | 118.2° | 120.0° |
| C10 | N11 | HN1 | 117.5° | 120.0° |
| C12 | N11 | HN1 | 124.2° | 119.9° |
| N11 | C12 | C13 | 109.7° | 109.5° |
| N11 | C12 | C14 | 109.1° | 109.5° |
| N11 | C12 | H12 | 107.8° | 109.4° |
| C13 | C12 | C14 | 110.7° | 109.4° |
| C13 | C12 | H12 | 109.7° | 109.5° |
| C12 | C13 | ODA | 117.0° | 120.0° |
| C12 | C13 | ODB | 116.9° | 120.0° |
| C14 | C12 | H12 | 109.8° | 109.5° |
| C12 | C14 | O14 | 108.5° | 109.5° |
| C12 | C14 | C15 | 112.0° | 109.5° |
| C12 | C14 | H14 | 109.2° | 109.5° |
| ODA | C13 | ODB | 126.1° | 120.0° |
| C13 | ODB | H13 | 117.0° | 120.0° |
| O14 | C14 | C15 | 109.0° | 109.4° |
| O14 | C14 | H14 | 107.8° | 109.4° |
| C14 | O14 | HO4 | 108.5° | 106.8° |
| C15 | C14 | H14 | 110.2° | 109.4° |
| C14 | C15 | H151 | 109.6° | 109.5° |
| C14 | C15 | H152 | 109.0° | 109.5° |
| C14 | C15 | H153 | 110.5° | 109.4° |
| H151 | C15 | H152 | 109.1° | 109.5° |
| H151 | C15 | H153 | 109.7° | 109.5° |
| H152 | C15 | H153 | 108.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 123.9° | 120.0° |
| OP1 | P | OP2 | O5' | 123.9° | 120.0° |
| OP1 | P | OP3 | O5' | 114.6° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP1 | P | O5' | C5' | 162.8° | 60.0° |
| OP2 | P | OP3 | O5' | 114.7° | 120.0° |
| OP2 | P | OP3 | HOP3 | 49.3° | 60.0° |
| OP2 | P | O5' | C5' | 32.2° | 180.0° |
| OP3 | P | OP2 | HOP2 | 56.1° | 60.0° |
| OP3 | P | O5' | C5' | 82.6° | 60.0° |
| O5' | P | OP2 | HOP2 | 56.1° | 180.0° |
| O5' | P | OP3 | HOP3 | 65.4° | 60.0° |
| P | O5' | C5' | C4' | 174.7° | 180.0° |
| P | O5' | C5' | H5' | 65.5° | 60.0° |
| P | O5' | C5' | H5'' | 55.4° | 60.0° |
| O5' | C5' | C4' | H5' | 120.4° | 120.0° |
| O5' | C5' | C4' | H5'' | 119.9° | 119.9° |
| O5' | C5' | H5' | H5'' | 121.2° | 120.0° |
| O5' | C5' | C4' | O4' | 45.4° | 61.4° |
| O5' | C5' | C4' | C3' | 72.6° | 176.8° |
| O5' | C5' | C4' | H4' | 164.6° | 60.8° |
| C4' | C5' | H5' | H5'' | 119.3° | 120.0° |
| C5' | C4' | O4' | C3' | 122.7° | 119.0° |
| C5' | C4' | O4' | H4' | 120.6° | 122.2° |
| C5' | C4' | C3' | H4' | 123.6° | 122.3° |
| C5' | C4' | O4' | C1' | 149.3° | 159.4° |
| C5' | C4' | C3' | O3' | 86.9° | 98.3° |
| C5' | C4' | C3' | C2' | 152.5° | 143.0° |
| C5' | C4' | C3' | H3' | 35.7° | 24.2° |
| H5' | C5' | C4' | O4' | 165.9° | 178.6° |
| H5' | C5' | C4' | C3' | 47.8° | 63.1° |
| H5' | C5' | C4' | H4' | 75.0° | 59.2° |
| H5'' | C5' | C4' | O4' | 74.5° | 58.5° |
| H5'' | C5' | C4' | C3' | 167.5° | 56.9° |
| H5'' | C5' | C4' | H4' | 44.7° | 179.2° |
| O4' | C4' | C3' | H4' | 116.0° | 118.8° |
| O4' | C4' | C3' | O3' | 152.7° | 142.7° |
| O4' | C4' | C3' | C2' | 32.1° | 24.1° |
| O4' | C4' | C3' | H3' | 84.7° | 94.7° |
| C4' | O4' | C1' | C2' | 9.4° | 40.4° |
| C4' | O4' | C1' | N9 | 129.5° | 159.4° |
| C4' | O4' | C1' | H1' | 108.8° | 78.4° |
| C3' | C4' | O4' | C1' | 26.6° | 40.5° |
| C4' | C3' | O3' | C2' | 113.9° | 114.7° |
| C4' | C3' | O3' | H3' | 120.6° | 122.5° |
| C4' | C3' | C2' | H3' | 115.0° | 118.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 179.9° |
| C4' | C3' | C2' | O2' | 91.7° | 118.8° |
| C4' | C3' | C2' | C1' | 26.0° | 0.2° |
| C4' | C3' | C2' | H2' | 144.0° | 118.7° |
| H4' | C4' | O4' | C1' | 90.1° | 78.3° |
| H4' | C4' | C3' | O3' | 36.7° | 23.9° |
| H4' | C4' | C3' | C2' | 83.9° | 94.7° |
| H4' | C4' | C3' | H3' | 159.3° | 146.5° |
| O4' | C1' | C2' | C3' | 11.4° | 23.8° |
| O4' | C1' | C2' | O2' | 107.1° | 142.6° |
| O4' | C1' | C2' | N9 | 120.9° | 118.9° |
| O4' | C1' | C2' | H1' | 117.5° | 118.8° |
| O4' | C1' | C2' | H2' | 130.5° | 94.8° |
| O4' | C1' | N9 | H1' | 120.6° | 122.2° |
| O4' | C1' | N9 | C8 | 38.0° | 27.1° |
| O4' | C1' | N9 | C4 | 149.3° | 152.9° |
| O3' | C3' | C2' | H3' | 126.0° | 122.6° |
| O3' | C3' | C2' | O2' | 27.3° | 0.1° |
| O3' | C3' | C2' | C1' | 145.0° | 118.8° |
| O3' | C3' | C2' | H2' | 97.1° | 122.7° |
| C2' | C3' | O3' | HO3' | 66.1° | 65.4° |
| C3' | C2' | O2' | C1' | 115.0° | 114.7° |
| C3' | C2' | O2' | H2' | 124.0° | 122.6° |
| C3' | C2' | C1' | H2' | 119.1° | 118.6° |
| C3' | C2' | O2' | HO2' | 56.9° | 61.5° |
| C3' | C2' | C1' | N9 | 109.5° | 142.7° |
| C3' | C2' | C1' | H1' | 128.9° | 95.0° |
| H3' | C3' | O3' | HO3' | 59.4° | 57.4° |
| H3' | C3' | C2' | O2' | 153.3° | 122.5° |
| H3' | C3' | C2' | C1' | 89.0° | 118.6° |
| H3' | C3' | C2' | H2' | 29.0° | 0.0° |
| O2' | C2' | C1' | H2' | 122.4° | 122.7° |
| O2' | C2' | C1' | N9 | 132.0° | 98.5° |
| O2' | C2' | C1' | H1' | 10.4° | 23.7° |
| C1' | C2' | O2' | HO2' | 58.1° | 176.2° |
| C2' | C1' | N9 | H1' | 121.2° | 122.3° |
| C2' | C1' | N9 | C8 | 80.2° | 88.5° |
| C2' | C1' | N9 | C4 | 92.5° | 91.5° |
| H2' | C2' | O2' | HO2' | 179.1° | 61.1° |
| H2' | C2' | C1' | N9 | 9.7° | 24.2° |
| H2' | C2' | C1' | H1' | 112.0° | 146.4° |
| C1' | N9 | C8 | C4 | 173.7° | 180.0° |
| C1' | N9 | C8 | N7 | 174.7° | 180.0° |
| C1' | N9 | C8 | H8 | 5.1° | 0.0° |
| C1' | N9 | C4 | C5 | 174.6° | 179.7° |
| C1' | N9 | C4 | N3 | 5.2° | 0.0° |
| H1' | C1' | N9 | C8 | 158.6° | 149.3° |
| H1' | C1' | N9 | C4 | 28.7° | 30.8° |
| N9 | C8 | N7 | H8 | 179.8° | 180.0° |
| N9 | C8 | N7 | C5 | 0.7° | 0.3° |
| C8 | N9 | C4 | C5 | 0.9° | 0.2° |
| C8 | N9 | C4 | N3 | 178.9° | 180.0° |
| C4 | N9 | C8 | N7 | 1.0° | 0.0° |
| C4 | N9 | C8 | H8 | 178.8° | 180.0° |
| N9 | C4 | C5 | N7 | 0.5° | 0.4° |
| N9 | C4 | C5 | C6 | 179.2° | 179.7° |
| N9 | C4 | C5 | N3 | 179.8° | 179.8° |
| N9 | C4 | N3 | C2 | 179.7° | 180.0° |
| C8 | N7 | C5 | C6 | 178.4° | 179.5° |
| C8 | N7 | C5 | C4 | 0.1° | 0.4° |
| H8 | C8 | N7 | C5 | 179.1° | 179.8° |
| N7 | C5 | C6 | C4 | 178.4° | 179.0° |
| N7 | C5 | C6 | N6 | 0.5° | 0.8° |
| N7 | C5 | C6 | N1 | 179.0° | 179.6° |
| N7 | C5 | C4 | N3 | 179.3° | 179.8° |
| C5 | C6 | N6 | N1 | 179.4° | 179.7° |
| C5 | C6 | N6 | C10 | 178.7° | 179.7° |
| C5 | C6 | N6 | HN6 | 0.5° | 0.4° |
| C5 | C6 | N1 | C2 | 0.2° | 0.3° |
| C6 | C5 | C4 | N3 | 0.5° | 0.5° |
| C4 | C5 | C6 | N6 | 178.9° | 179.8° |
| C4 | C5 | C6 | N1 | 0.6° | 0.5° |
| C5 | C4 | N3 | C2 | 0.1° | 0.3° |
| C6 | N6 | C10 | HN6 | 179.2° | 179.9° |
| N6 | C6 | N1 | C2 | 179.2° | 180.0° |
| C6 | N6 | C10 | O10 | 179.4° | 0.1° |
| C6 | N6 | C10 | N11 | 0.4° | 180.0° |
| N1 | C6 | N6 | C10 | 0.8° | 0.1° |
| N1 | C6 | N6 | HN6 | 179.9° | 179.9° |
| C6 | N1 | C2 | N3 | 0.3° | 0.0° |
| C6 | N1 | C2 | H2 | 180.0° | 180.0° |
| N6 | C10 | O10 | N11 | 179.8° | 179.9° |
| N6 | C10 | N11 | C12 | 179.4° | 180.0° |
| N6 | C10 | N11 | HN1 | 0.5° | 0.1° |
| HN6 | N6 | C10 | O10 | 0.2° | 179.9° |
| HN6 | N6 | C10 | N11 | 179.5° | 0.1° |
| N1 | C2 | N3 | H2 | 179.7° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| H2 | C2 | N3 | C4 | 179.9° | 180.0° |
| O10 | C10 | N11 | C12 | 0.4° | 0.0° |
| O10 | C10 | N11 | HN1 | 179.8° | 180.0° |
| C10 | N11 | C12 | HN1 | 179.9° | 179.9° |
| C10 | N11 | C12 | C13 | 63.7° | 90.0° |
| C10 | N11 | C12 | C14 | 174.9° | 150.0° |
| C10 | N11 | C12 | H12 | 55.7° | 30.0° |
| N11 | C12 | C13 | C14 | 120.4° | 120.0° |
| N11 | C12 | C13 | H12 | 118.2° | 120.0° |
| N11 | C12 | C14 | H12 | 117.9° | 120.0° |
| N11 | C12 | C13 | ODA | 161.5° | 149.9° |
| N11 | C12 | C13 | ODB | 18.6° | 30.0° |
| N11 | C12 | C14 | O14 | 41.9° | 60.0° |
| N11 | C12 | C14 | C15 | 78.4° | 60.0° |
| N11 | C12 | C14 | H14 | 159.3° | 180.0° |
| HN1 | N11 | C12 | C13 | 116.4° | 90.1° |
| HN1 | N11 | C12 | C14 | 5.0° | 29.9° |
| HN1 | N11 | C12 | H12 | 124.2° | 150.0° |
| C13 | C12 | C14 | H12 | 121.3° | 120.0° |
| C12 | C13 | ODA | ODB | 179.9° | 180.0° |
| C12 | C13 | ODB | H13 | 179.9° | 180.0° |
| C13 | C12 | C14 | O14 | 78.8° | 60.0° |
| C13 | C12 | C14 | C15 | 160.8° | 180.0° |
| C13 | C12 | C14 | H14 | 38.5° | 60.0° |
| C14 | C12 | C13 | ODA | 78.1° | 90.0° |
| C14 | C12 | C13 | ODB | 101.9° | 90.0° |
| C12 | C14 | O14 | C15 | 122.2° | 120.0° |
| C12 | C14 | O14 | H14 | 118.2° | 120.1° |
| C12 | C14 | C15 | H14 | 121.8° | 120.0° |
| C12 | C14 | O14 | HO4 | 178.6° | 60.0° |
| C12 | C14 | C15 | H151 | 55.8° | 180.0° |
| C12 | C14 | C15 | H152 | 175.2° | 59.9° |
| C12 | C14 | C15 | H153 | 65.1° | 60.1° |
| H12 | C12 | C13 | ODA | 43.3° | 30.0° |
| H12 | C12 | C13 | ODB | 136.8° | 150.0° |
| H12 | C12 | C14 | O14 | 159.9° | 180.0° |
| H12 | C12 | C14 | C15 | 39.5° | 60.0° |
| H12 | C12 | C14 | H14 | 82.8° | 60.0° |
| ODA | C13 | ODB | H13 | 0.1° | 0.0° |
| O14 | C14 | C15 | H14 | 118.1° | 119.9° |
| O14 | C14 | C15 | H151 | 64.3° | 60.0° |
| O14 | C14 | C15 | H152 | 55.1° | 180.0° |
| O14 | C14 | C15 | H153 | 174.8° | 60.0° |
| C15 | C14 | O14 | HO4 | 59.2° | 60.0° |
| C14 | C15 | H151 | H152 | 119.3° | 120.0° |
| C14 | C15 | H151 | H153 | 121.5° | 120.0° |
| C14 | C15 | H152 | H153 | 120.6° | 120.0° |
| H14 | C14 | O14 | HO4 | 60.4° | 179.9° |
| H14 | C14 | C15 | H151 | 177.6° | 60.0° |
| H14 | C14 | C15 | H152 | 63.0° | 60.1° |
| H14 | C14 | C15 | H153 | 56.6° | 179.9° |
| H151 | C15 | H152 | H153 | 119.7° | 120.0° |
