ZJS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP2 | P | doub | 1.48Å | 1.55Å | |
| OP1 | P | sing | 1.61Å | 1.56Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| O4' | C1' | sing | 1.44Å | 1.40Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| C8 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.33Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.38Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.42Å | |
| C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| N6 | C12 | sing | 1.46Å | 1.51Å | |
| C15 | C14 | sing | 1.51Å | 1.62Å | |
| C12 | C13 | sing | 1.51Å | 1.58Å | |
| C14 | C13 | doub | 1.31Å | 1.34Å | |
| C14 | C16 | sing | 1.51Å | 1.49Å | |
| P | O1 | sing | 1.61Å | 1.61Å | |
| OP1 | H1 | sing | 0.97Å | 0.95Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| O3' | H6 | sing | 0.97Å | 0.95Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| O2' | H8 | sing | 0.97Å | 0.95Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| N6 | H11 | sing | 0.97Å | 1.00Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| O1 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | OP1 | 121.7° | 109.5° |
| OP2 | P | O5' | 109.9° | 109.5° |
| OP2 | P | O1 | 104.3° | 109.4° |
| OP1 | P | O5' | 108.0° | 109.5° |
| OP1 | P | O1 | 108.0° | 109.5° |
| P | OP1 | H1 | 109.5° | 114.0° |
| P | O5' | C5' | 120.3° | 123.0° |
| O5' | P | O1 | 103.4° | 109.5° |
| O5' | C5' | C4' | 112.9° | 109.5° |
| O5' | C5' | H2 | 108.6° | 109.5° |
| O5' | C5' | H3 | 108.6° | 109.5° |
| C5' | C4' | C3' | 116.0° | 110.4° |
| C5' | C4' | O4' | 110.4° | 110.4° |
| C4' | C5' | H2 | 108.6° | 109.5° |
| C4' | C5' | H3 | 108.6° | 109.5° |
| C5' | C4' | H4 | 107.7° | 110.3° |
| C3' | C4' | O4' | 106.6° | 104.8° |
| C4' | C3' | O3' | 108.8° | 110.5° |
| C4' | C3' | C2' | 103.8° | 104.1° |
| C3' | C4' | H4 | 107.5° | 110.4° |
| C4' | C3' | H5 | 110.9° | 110.6° |
| C4' | O4' | C1' | 109.4° | 105.3° |
| O4' | C4' | H4 | 108.4° | 110.5° |
| O3' | C3' | C2' | 109.4° | 110.5° |
| O3' | C3' | H5 | 112.5° | 110.5° |
| C3' | O3' | H6 | 109.5° | 114.0° |
| C3' | C2' | C1' | 102.1° | 104.1° |
| C3' | C2' | O2' | 114.8° | 110.5° |
| C2' | C3' | H5 | 111.0° | 110.6° |
| C3' | C2' | H7 | 108.8° | 110.5° |
| O4' | C1' | C2' | 105.4° | 104.8° |
| O4' | C1' | N9 | 109.2° | 110.4° |
| O4' | C1' | H9 | 110.9° | 110.3° |
| C1' | C2' | O2' | 111.5° | 110.5° |
| C2' | C1' | N9 | 112.1° | 110.4° |
| C1' | C2' | H7 | 108.9° | 110.5° |
| C2' | C1' | H9 | 109.2° | 110.4° |
| O2' | C2' | H7 | 110.3° | 110.6° |
| C2' | O2' | H8 | 109.5° | 114.0° |
| C1' | N9 | C8 | 124.2° | 126.3° |
| C1' | N9 | C4 | 127.3° | 126.3° |
| N9 | C1' | H9 | 110.1° | 110.4° |
| N9 | C8 | N7 | 107.8° | 110.0° |
| C8 | N9 | C4 | 108.4° | 107.4° |
| N9 | C8 | H10 | 126.1° | 125.0° |
| C8 | N7 | C5 | 108.0° | 109.4° |
| N7 | C8 | H10 | 126.1° | 125.0° |
| N9 | C4 | C5 | 107.4° | 106.0° |
| N9 | C4 | N3 | 133.6° | 134.9° |
| N7 | C5 | C4 | 108.4° | 107.1° |
| N7 | C5 | C6 | 130.3° | 134.7° |
| C5 | C4 | N3 | 119.0° | 119.1° |
| C4 | C5 | C6 | 121.3° | 118.2° |
| C4 | N3 | C2 | 119.7° | 120.6° |
| C5 | C6 | N6 | 115.9° | 120.8° |
| C5 | C6 | N1 | 119.9° | 118.5° |
| N3 | C2 | N1 | 121.0° | 122.4° |
| N3 | C2 | H12 | 119.5° | 118.8° |
| N6 | C6 | N1 | 124.2° | 120.8° |
| C6 | N6 | C12 | 124.0° | 120.0° |
| C6 | N6 | H11 | 105.7° | 120.0° |
| C6 | N1 | C2 | 119.0° | 121.2° |
| N1 | C2 | H12 | 119.5° | 118.8° |
| N6 | C12 | C13 | 109.0° | 109.5° |
| C12 | N6 | H11 | 105.7° | 120.0° |
| N6 | C12 | H13 | 109.6° | 109.5° |
| N6 | C12 | H14 | 109.6° | 109.5° |
| C15 | C14 | C13 | 118.9° | 120.0° |
| C15 | C14 | C16 | 119.3° | 120.0° |
| C14 | C15 | H18 | 109.5° | 109.5° |
| C14 | C15 | H19 | 109.5° | 109.4° |
| C14 | C15 | H20 | 109.5° | 109.5° |
| C12 | C13 | C14 | 111.8° | 120.0° |
| C13 | C12 | H13 | 109.6° | 109.5° |
| C13 | C12 | H14 | 109.6° | 109.4° |
| C12 | C13 | H15 | 124.1° | 120.0° |
| C13 | C14 | C16 | 121.7° | 120.0° |
| C14 | C13 | H15 | 124.1° | 120.0° |
| C14 | C16 | H21 | 109.5° | 109.5° |
| C14 | C16 | H22 | 109.5° | 109.5° |
| C14 | C16 | H23 | 109.5° | 109.5° |
| P | O1 | H24 | 109.5° | 114.0° |
| H2 | C5' | H3 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H20 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.4° |
| H21 | C16 | H23 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | OP1 | O5' | 128.5° | 120.0° |
| OP2 | P | OP1 | O1 | 120.4° | 120.0° |
| OP2 | P | O5' | O1 | 110.8° | 120.0° |
| OP2 | P | O5' | C5' | 4.8° | 55.0° |
| OP2 | P | OP1 | H1 | 0.0° | 180.0° |
| OP2 | P | O1 | H24 | 0.0° | 60.1° |
| OP1 | P | O5' | O1 | 114.2° | 120.0° |
| OP1 | P | O5' | C5' | 139.7° | 65.0° |
| OP1 | P | O1 | H24 | 130.8° | 59.9° |
| P | O5' | C5' | C4' | 124.4° | 180.0° |
| O5' | P | OP1 | H1 | 128.4° | 60.0° |
| P | O5' | C5' | H2 | 3.9° | 60.0° |
| P | O5' | C5' | H3 | 115.1° | 60.0° |
| O5' | P | O1 | H24 | 114.9° | 180.0° |
| O5' | C5' | C4' | H2 | 120.5° | 120.0° |
| O5' | C5' | C4' | H3 | 120.5° | 120.0° |
| O5' | C5' | C4' | C3' | 54.5° | 175.0° |
| O5' | C5' | C4' | O4' | 66.9° | 69.6° |
| C5' | O5' | P | O1 | 106.1° | 175.0° |
| O5' | C5' | H2 | H3 | 118.4° | 120.0° |
| O5' | C5' | C4' | H4 | 174.9° | 52.7° |
| C5' | C4' | C3' | O4' | 123.4° | 118.8° |
| C5' | C4' | C3' | H4 | 120.5° | 122.2° |
| C5' | C4' | O4' | H4 | 117.7° | 122.3° |
| C5' | C4' | C3' | O3' | 133.1° | 98.6° |
| C5' | C4' | C3' | C2' | 110.5° | 142.8° |
| C5' | C4' | O4' | C1' | 136.9° | 159.3° |
| C4' | C5' | H2 | H3 | 118.4° | 120.0° |
| C5' | C4' | C3' | H5 | 8.8° | 24.0° |
| C3' | C4' | O4' | H4 | 115.5° | 118.9° |
| C4' | C3' | O3' | C2' | 112.8° | 114.6° |
| C4' | C3' | O3' | H5 | 123.4° | 122.7° |
| C4' | C3' | C2' | H5 | 119.2° | 118.8° |
| C3' | C4' | O4' | C1' | 10.1° | 40.5° |
| C4' | C3' | C2' | C1' | 29.0° | 0.0° |
| C4' | C3' | C2' | O2' | 149.8° | 118.6° |
| C3' | C4' | C5' | H2 | 66.0° | 65.0° |
| C3' | C4' | C5' | H3 | 175.0° | 55.0° |
| C4' | C3' | O3' | H6 | 180.0° | 180.0° |
| C4' | C3' | C2' | H7 | 86.0° | 118.7° |
| O4' | C4' | C3' | O3' | 103.5° | 142.6° |
| O4' | C4' | C3' | C2' | 12.9° | 24.0° |
| C4' | O4' | C1' | C2' | 29.2° | 40.5° |
| C4' | O4' | C1' | N9 | 149.7° | 159.4° |
| O4' | C4' | C5' | H2 | 172.6° | 50.4° |
| O4' | C4' | C5' | H3 | 53.6° | 170.4° |
| O4' | C4' | C3' | H5 | 132.1° | 94.8° |
| C4' | O4' | C1' | H9 | 88.8° | 78.3° |
| O3' | C3' | C2' | H5 | 124.8° | 122.6° |
| O3' | C3' | C2' | C1' | 87.0° | 118.7° |
| O3' | C3' | C2' | O2' | 33.8° | 0.0° |
| O3' | C3' | C4' | H4 | 12.6° | 23.7° |
| O3' | C3' | C2' | H7 | 158.0° | 122.7° |
| C3' | C2' | C1' | O4' | 36.1° | 23.9° |
| C3' | C2' | C1' | O2' | 123.1° | 118.7° |
| C3' | C2' | C1' | H7 | 114.9° | 118.6° |
| C3' | C2' | O2' | H7 | 123.3° | 122.7° |
| C3' | C2' | C1' | N9 | 154.7° | 142.8° |
| C2' | C3' | C4' | H4 | 129.0° | 94.9° |
| C2' | C3' | O3' | H6 | 67.2° | 65.4° |
| C3' | C2' | O2' | H8 | 180.0° | 61.4° |
| C3' | C2' | C1' | H9 | 83.1° | 94.9° |
| O4' | C1' | C2' | N9 | 118.6° | 118.9° |
| O4' | C1' | C2' | H9 | 119.2° | 118.8° |
| O4' | C1' | C2' | O2' | 159.2° | 142.6° |
| O4' | C1' | N9 | H9 | 122.0° | 122.3° |
| O4' | C1' | N9 | C8 | 50.9° | 23.9° |
| O4' | C1' | N9 | C4 | 132.1° | 156.5° |
| C1' | O4' | C4' | H4 | 105.3° | 78.4° |
| O4' | C1' | C2' | H7 | 78.9° | 94.7° |
| C1' | C2' | O2' | H7 | 121.1° | 122.7° |
| C2' | C1' | N9 | H9 | 121.7° | 122.3° |
| C2' | C1' | N9 | C8 | 65.5° | 91.5° |
| C2' | C1' | N9 | C4 | 111.6° | 88.1° |
| C1' | C2' | C3' | H5 | 148.2° | 118.7° |
| C1' | C2' | O2' | H8 | 64.5° | 176.1° |
| O2' | C2' | C1' | N9 | 82.2° | 98.6° |
| O2' | C2' | C3' | H5 | 90.9° | 122.6° |
| O2' | C2' | C1' | H9 | 40.0° | 23.8° |
| C1' | N9 | C8 | C4 | 177.5° | 179.7° |
| C1' | N9 | C8 | N7 | 178.6° | 179.9° |
| C1' | N9 | C4 | C5 | 178.6° | 179.9° |
| C1' | N9 | C4 | N3 | 2.1° | 0.8° |
| N9 | C1' | C2' | H7 | 39.7° | 24.2° |
| C1' | N9 | C8 | H10 | 1.4° | 0.0° |
| N9 | C8 | N7 | H10 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.6° | 0.0° |
| C8 | N9 | C4 | C5 | 1.2° | 0.3° |
| C8 | N9 | C4 | N3 | 179.5° | 179.5° |
| C8 | N9 | C1' | H9 | 172.8° | 146.1° |
| N7 | C8 | N9 | C4 | 1.1° | 0.2° |
| C8 | N7 | C5 | C4 | 0.1° | 0.2° |
| C8 | N7 | C5 | C6 | 179.8° | 179.9° |
| N9 | C4 | C5 | N7 | 0.8° | 0.4° |
| N9 | C4 | C5 | N3 | 179.4° | 179.3° |
| N9 | C4 | C5 | C6 | 179.2° | 179.8° |
| N9 | C4 | N3 | C2 | 179.4° | 179.6° |
| C4 | N9 | C1' | H9 | 10.1° | 34.2° |
| C4 | N9 | C8 | H10 | 178.9° | 179.7° |
| N7 | C5 | C4 | C6 | 180.0° | 179.9° |
| N7 | C5 | C4 | N3 | 179.8° | 179.7° |
| N7 | C5 | C6 | N6 | 0.3° | 0.1° |
| N7 | C5 | C6 | N1 | 179.7° | 180.0° |
| C5 | N7 | C8 | H10 | 179.4° | 179.9° |
| C5 | C4 | N3 | C2 | 0.2° | 0.6° |
| C4 | C5 | C6 | N6 | 179.7° | 179.7° |
| C4 | C5 | C6 | N1 | 0.3° | 0.1° |
| N3 | C4 | C5 | C6 | 0.2° | 0.5° |
| C4 | N3 | C2 | N1 | 0.6° | 0.4° |
| C4 | N3 | C2 | H12 | 179.4° | 179.8° |
| C5 | C6 | N6 | N1 | 179.3° | 179.9° |
| C5 | C6 | N1 | C2 | 0.0° | 0.1° |
| C5 | C6 | N6 | C12 | 163.1° | 179.9° |
| C5 | C6 | N6 | H11 | 41.1° | 0.1° |
| N3 | C2 | N1 | C6 | 0.5° | 0.0° |
| N3 | C2 | N1 | H12 | 180.0° | 179.9° |
| N6 | C6 | N1 | C2 | 179.3° | 179.9° |
| C6 | N6 | C12 | H11 | 122.0° | 180.0° |
| C6 | N6 | C12 | C13 | 53.8° | 180.0° |
| C6 | N6 | C12 | H13 | 173.7° | 60.0° |
| C6 | N6 | C12 | H14 | 66.2° | 60.0° |
| N1 | C6 | N6 | C12 | 17.6° | 0.1° |
| N1 | C6 | N6 | H11 | 139.6° | 180.0° |
| C6 | N1 | C2 | H12 | 179.5° | 179.9° |
| N6 | C12 | C13 | H13 | 119.9° | 120.0° |
| N6 | C12 | C13 | H14 | 119.9° | 120.0° |
| N6 | C12 | C13 | C14 | 114.1° | 127.0° |
| N6 | C12 | H13 | H14 | 120.2° | 120.0° |
| N6 | C12 | C13 | H15 | 65.8° | 52.9° |
| C15 | C14 | C13 | C12 | 171.3° | 172.4° |
| C15 | C14 | C13 | C16 | 179.7° | 180.0° |
| C15 | C14 | C13 | H15 | 8.7° | 7.5° |
| C14 | C15 | H18 | H19 | 120.0° | 119.9° |
| C14 | C15 | H18 | H20 | 120.0° | 120.0° |
| C14 | C15 | H19 | H20 | 120.0° | 120.0° |
| C15 | C14 | C16 | H21 | 180.0° | 174.6° |
| C15 | C14 | C16 | H22 | 60.0° | 54.6° |
| C15 | C14 | C16 | H23 | 60.0° | 65.4° |
| C12 | C13 | C14 | H15 | 180.0° | 179.9° |
| C12 | C13 | C14 | C16 | 9.0° | 7.6° |
| C13 | C12 | N6 | H11 | 68.2° | 0.0° |
| C13 | C12 | H13 | H14 | 120.2° | 120.0° |
| C14 | C13 | C12 | H13 | 5.8° | 7.0° |
| C14 | C13 | C12 | H14 | 125.9° | 113.0° |
| C13 | C14 | C15 | H18 | 180.0° | 90.0° |
| C13 | C14 | C15 | H19 | 60.0° | 150.0° |
| C13 | C14 | C15 | H20 | 60.0° | 30.0° |
| C13 | C14 | C16 | H21 | 0.3° | 5.4° |
| C13 | C14 | C16 | H22 | 119.7° | 125.4° |
| C13 | C14 | C16 | H23 | 120.3° | 114.6° |
| C16 | C14 | C13 | H15 | 171.1° | 172.5° |
| C16 | C14 | C15 | H18 | 0.3° | 90.0° |
| C16 | C14 | C15 | H19 | 119.7° | 30.0° |
| C16 | C14 | C15 | H20 | 120.3° | 150.0° |
| C14 | C16 | H21 | H22 | 120.0° | 120.0° |
| C14 | C16 | H21 | H23 | 120.0° | 120.0° |
| C14 | C16 | H22 | H23 | 120.0° | 120.0° |
| O1 | P | OP1 | H1 | 120.4° | 60.0° |
| H2 | C5' | C4' | H4 | 54.4° | 172.7° |
| H3 | C5' | C4' | H4 | 64.6° | 67.3° |
| H4 | C4' | C3' | H5 | 111.7° | 146.3° |
| H5 | C3' | O3' | H6 | 56.6° | 57.3° |
| H5 | C3' | C2' | H7 | 33.2° | 0.1° |
| H7 | C2' | O2' | H8 | 56.6° | 61.3° |
| H7 | C2' | C1' | H9 | 161.9° | 146.5° |
| H11 | N6 | C12 | H13 | 51.7° | 120.0° |
| H11 | N6 | C12 | H14 | 171.8° | 120.0° |
| H13 | C12 | C13 | H15 | 174.2° | 172.9° |
| H14 | C12 | C13 | H15 | 54.1° | 67.1° |
| H18 | C15 | H19 | H20 | 120.0° | 120.1° |
| H21 | C16 | H22 | H23 | 120.0° | 120.0° |
