75B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP1 | P | sing | 1.61Å | 1.50Å | |
| OP2 | P | doub | 1.48Å | 1.51Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| C33 | C22 | doub | 1.34Å | 1.43Å | Aromatic |
| C33 | C44 | sing | 1.43Å | 1.48Å | Aromatic |
| C22 | SE1 | sing | 1.98Å | 1.87Å | Aromatic |
| C44 | C55 | doub | 1.35Å | 1.43Å | Aromatic |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| SE1 | C55 | sing | 1.98Å | 1.87Å | Aromatic |
| C55 | C5 | sing | 1.47Å | 1.54Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C5 | C6 | doub | 1.37Å | 1.39Å | |
| C5 | C4 | sing | 1.47Å | 1.40Å | |
| C6 | N1 | sing | 1.36Å | 1.31Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| N1 | C1' | sing | 1.47Å | 1.49Å | |
| N1 | C2 | sing | 1.34Å | 1.33Å | |
| C1' | C2' | sing | 1.55Å | 1.54Å | |
| C4 | O4 | doub | 1.22Å | 1.19Å | |
| C4 | N3 | sing | 1.35Å | 1.31Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2 | N3 | sing | 1.34Å | 1.31Å | |
| C2 | O2 | doub | 1.22Å | 1.17Å | |
| C5' | H1 | sing | 1.09Å | 1.10Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C4' | H3 | sing | 1.09Å | 1.10Å | |
| C3' | H4 | sing | 1.09Å | 1.10Å | |
| O3' | H5 | sing | 0.97Å | 0.95Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| O2' | H7 | sing | 0.97Å | 0.95Å | |
| C1' | H8 | sing | 1.09Å | 1.10Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C33 | H12 | sing | 1.08Å | 1.08Å | |
| C44 | H13 | sing | 1.08Å | 1.08Å | |
| OP1 | H14 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 53.39Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 121.3° | 109.5° |
| OP1 | P | O5' | 102.5° | 109.5° |
| P | OP1 | H14 | 109.5° | 113.9° |
| OP1 | P | OP3 | 98.0° | 109.5° |
| OP2 | P | O5' | 107.7° | 109.5° |
| OP2 | P | OP3 | 123.6° | 109.5° |
| P | O5' | C5' | 121.2° | 123.0° |
| O5' | P | OP3 | 100.2° | 109.4° |
| C22 | C33 | C44 | 117.3° | 122.2° |
| C33 | C22 | SE1 | 105.1° | 102.1° |
| C33 | C22 | H11 | 127.5° | 129.0° |
| C22 | C33 | H12 | 121.4° | 118.9° |
| C33 | C44 | C55 | 116.4° | 121.6° |
| C44 | C33 | H12 | 121.3° | 118.9° |
| C33 | C44 | H13 | 121.8° | 119.2° |
| C22 | SE1 | C55 | 95.5° | 92.2° |
| SE1 | C22 | H11 | 127.4° | 129.0° |
| C44 | C55 | SE1 | 105.6° | 101.8° |
| C44 | C55 | C5 | 127.1° | 129.1° |
| C55 | C44 | H13 | 121.8° | 119.2° |
| O5' | C5' | C4' | 111.1° | 109.4° |
| O5' | C5' | H1 | 109.1° | 109.5° |
| O5' | C5' | H2 | 109.0° | 109.5° |
| C5' | C4' | O4' | 110.3° | 109.9° |
| C5' | C4' | C3' | 116.7° | 109.9° |
| C4' | C5' | H1 | 109.1° | 109.4° |
| C4' | C5' | H2 | 109.1° | 109.5° |
| C5' | C4' | H3 | 108.5° | 109.9° |
| SE1 | C55 | C5 | 127.1° | 129.1° |
| C55 | C5 | C6 | 119.8° | 120.9° |
| C55 | C5 | C4 | 120.2° | 120.9° |
| O4' | C4' | C3' | 103.4° | 107.3° |
| C4' | O4' | C1' | 109.7° | 107.0° |
| O4' | C4' | H3 | 109.2° | 109.8° |
| C4' | C3' | O3' | 112.8° | 110.5° |
| C4' | C3' | C2' | 102.1° | 104.2° |
| C3' | C4' | H3 | 108.5° | 110.0° |
| C4' | C3' | H4 | 109.0° | 110.4° |
| O4' | C1' | N1 | 108.8° | 110.6° |
| O4' | C1' | C2' | 107.4° | 103.5° |
| O4' | C1' | H8 | 110.1° | 110.6° |
| C6 | C5 | C4 | 120.0° | 118.2° |
| C5 | C6 | N1 | 118.3° | 119.4° |
| C5 | C6 | H10 | 120.8° | 120.3° |
| C5 | C4 | O4 | 123.4° | 120.7° |
| C5 | C4 | N3 | 117.5° | 118.6° |
| C6 | N1 | C1' | 119.7° | 119.3° |
| C6 | N1 | C2 | 120.1° | 121.4° |
| N1 | C6 | H10 | 120.8° | 120.3° |
| O3' | C3' | C2' | 113.5° | 110.5° |
| O3' | C3' | H4 | 110.4° | 110.4° |
| C3' | O3' | H5 | 109.5° | 114.0° |
| C3' | C2' | C1' | 101.7° | 102.1° |
| C3' | C2' | O2' | 108.9° | 110.9° |
| C2' | C3' | H4 | 108.8° | 110.6° |
| C3' | C2' | H6 | 111.9° | 110.9° |
| C1' | N1 | C2 | 120.2° | 119.3° |
| N1 | C1' | C2' | 113.3° | 110.6° |
| N1 | C1' | H8 | 109.0° | 110.7° |
| N1 | C2 | N3 | 122.9° | 121.9° |
| N1 | C2 | O2 | 120.8° | 119.0° |
| C1' | C2' | O2' | 108.0° | 110.9° |
| C1' | C2' | H6 | 111.8° | 111.0° |
| C2' | C1' | H8 | 108.3° | 110.6° |
| O4 | C4 | N3 | 119.1° | 120.7° |
| C4 | N3 | C2 | 121.2° | 120.4° |
| C4 | N3 | H9 | 119.4° | 119.7° |
| O2' | C2' | H6 | 113.8° | 110.8° |
| C2' | O2' | H7 | 109.5° | 114.0° |
| N3 | C2 | O2 | 116.3° | 119.1° |
| C2 | N3 | H9 | 119.4° | 119.9° |
| H1 | C5' | H2 | 109.5° | 109.5° |
| P | OP3 | HOP3 | 90.0° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 117.4° | 120.0° |
| OP1 | P | OP2 | OP3 | 126.8° | 120.0° |
| OP1 | P | O5' | OP3 | 100.6° | 120.0° |
| OP1 | P | O5' | C5' | 41.1° | 175.0° |
| OP1 | P | OP3 | HOP3 | 90.0° | 60.0° |
| OP2 | P | O5' | OP3 | 130.3° | 120.0° |
| OP2 | P | O5' | C5' | 170.1° | 55.0° |
| OP2 | P | OP1 | H14 | 0.0° | 60.0° |
| OP2 | P | OP3 | HOP3 | 90.0° | 180.0° |
| P | O5' | C5' | C4' | 171.0° | 180.0° |
| P | O5' | C5' | H1 | 50.7° | 60.1° |
| P | O5' | C5' | H2 | 68.8° | 60.0° |
| O5' | P | OP1 | H14 | 120.0° | 180.0° |
| O5' | P | OP3 | HOP3 | 90.0° | 60.0° |
| C22 | C33 | C44 | H12 | 180.0° | 180.0° |
| C33 | C22 | SE1 | H11 | 180.0° | 179.7° |
| C22 | C33 | C44 | C55 | 2.8° | 0.0° |
| C33 | C22 | SE1 | C55 | 1.0° | 0.0° |
| C22 | C33 | C44 | H13 | 177.3° | 179.9° |
| C44 | C33 | C22 | SE1 | 0.7° | 0.0° |
| C33 | C44 | C55 | H13 | 180.0° | 179.9° |
| C33 | C44 | C55 | SE1 | 3.2° | 0.0° |
| C33 | C44 | C55 | C5 | 178.7° | 180.0° |
| C44 | C33 | C22 | H11 | 179.3° | 179.7° |
| C22 | SE1 | C55 | C44 | 2.3° | 0.0° |
| C22 | SE1 | C55 | C5 | 177.8° | 180.0° |
| SE1 | C22 | C33 | H12 | 179.3° | 180.0° |
| C44 | C55 | SE1 | C5 | 175.5° | 180.0° |
| C44 | C55 | C5 | C6 | 2.2° | 180.0° |
| C44 | C55 | C5 | C4 | 175.9° | 0.6° |
| C55 | C44 | C33 | H12 | 177.2° | 180.0° |
| O5' | C5' | C4' | H1 | 120.2° | 119.9° |
| O5' | C5' | C4' | H2 | 120.2° | 120.0° |
| O5' | C5' | C4' | O4' | 58.2° | 66.4° |
| O5' | C5' | C4' | C3' | 59.4° | 175.7° |
| O5' | C5' | H1 | H2 | 119.2° | 120.0° |
| O5' | C5' | C4' | H3 | 177.8° | 54.6° |
| C5' | O5' | P | OP3 | 59.6° | 65.1° |
| C5' | C4' | O4' | C3' | 125.5° | 119.5° |
| C5' | C4' | O4' | H3 | 119.1° | 121.1° |
| C5' | C4' | C3' | H3 | 122.8° | 121.1° |
| C5' | C4' | O4' | C1' | 152.6° | 145.9° |
| C5' | C4' | C3' | O3' | 77.8° | 119.8° |
| C5' | C4' | C3' | C2' | 160.1° | 121.4° |
| C4' | C5' | H1 | H2 | 119.3° | 120.0° |
| C5' | C4' | C3' | H4 | 45.2° | 2.6° |
| SE1 | C55 | C5 | C6 | 176.8° | 0.0° |
| SE1 | C55 | C5 | C4 | 1.4° | 179.4° |
| C55 | SE1 | C22 | H11 | 179.1° | 179.7° |
| SE1 | C55 | C44 | H13 | 176.9° | 179.9° |
| C55 | C5 | C6 | C4 | 178.2° | 179.5° |
| C55 | C5 | C6 | N1 | 178.3° | 180.0° |
| C55 | C5 | C4 | O4 | 2.0° | 0.2° |
| C55 | C5 | C4 | N3 | 178.4° | 179.7° |
| C55 | C5 | C6 | H10 | 1.6° | 0.6° |
| C5 | C55 | C44 | H13 | 1.4° | 0.1° |
| O4' | C4' | C3' | H3 | 115.8° | 119.4° |
| O4' | C4' | C3' | O3' | 160.9° | 120.7° |
| O4' | C4' | C3' | C2' | 38.8° | 2.0° |
| C4' | O4' | C1' | N1 | 126.9° | 158.6° |
| C4' | O4' | C1' | C2' | 3.9° | 40.0° |
| O4' | C4' | C5' | H1 | 178.4° | 53.5° |
| O4' | C4' | C5' | H2 | 62.0° | 173.5° |
| O4' | C4' | C3' | H4 | 76.2° | 116.8° |
| C4' | O4' | C1' | H8 | 113.8° | 78.4° |
| C3' | C4' | O4' | C1' | 27.1° | 26.5° |
| C4' | C3' | O3' | C2' | 115.4° | 114.8° |
| C4' | C3' | O3' | H4 | 122.1° | 122.5° |
| C4' | C3' | C2' | H4 | 115.1° | 118.7° |
| C4' | C3' | C2' | C1' | 35.7° | 20.9° |
| C4' | C3' | C2' | O2' | 78.1° | 139.1° |
| C3' | C4' | C5' | H1 | 60.8° | 64.3° |
| C3' | C4' | C5' | H2 | 179.6° | 55.7° |
| C4' | C3' | O3' | H5 | 180.0° | 179.9° |
| C4' | C3' | C2' | H6 | 155.2° | 97.4° |
| O4' | C1' | N1 | C6 | 20.0° | 126.8° |
| O4' | C1' | C2' | C3' | 20.4° | 37.0° |
| O4' | C1' | N1 | C2' | 119.4° | 114.0° |
| O4' | C1' | N1 | H8 | 120.0° | 123.0° |
| O4' | C1' | N1 | C2 | 160.4° | 53.6° |
| O4' | C1' | C2' | H8 | 118.8° | 118.5° |
| O4' | C1' | C2' | O2' | 94.1° | 155.2° |
| C1' | O4' | C4' | H3 | 88.3° | 93.0° |
| O4' | C1' | C2' | H6 | 140.0° | 81.2° |
| C5 | C6 | N1 | H10 | 180.0° | 179.4° |
| C5 | C6 | N1 | C1' | 179.8° | 179.7° |
| C5 | C6 | N1 | C2 | 0.3° | 0.6° |
| C6 | C5 | C4 | O4 | 179.9° | 179.7° |
| C6 | C5 | C4 | N3 | 0.3° | 0.3° |
| C4 | C5 | C6 | N1 | 0.2° | 0.6° |
| C5 | C4 | O4 | N3 | 179.6° | 179.9° |
| C5 | C4 | N3 | C2 | 0.4° | 0.0° |
| C5 | C4 | N3 | H9 | 179.6° | 179.9° |
| C4 | C5 | C6 | H10 | 179.8° | 180.0° |
| C6 | N1 | C1' | C2 | 179.6° | 179.7° |
| C6 | N1 | C1' | C2' | 99.3° | 119.2° |
| C6 | N1 | C2 | N3 | 0.5° | 0.3° |
| C6 | N1 | C2 | O2 | 179.6° | 179.7° |
| C6 | N1 | C1' | H8 | 140.0° | 3.8° |
| O3' | C3' | C2' | H4 | 123.3° | 122.6° |
| O3' | C3' | C2' | C1' | 157.3° | 97.8° |
| O3' | C3' | C2' | O2' | 43.5° | 20.4° |
| O3' | C3' | C4' | H3 | 45.1° | 1.3° |
| O3' | C3' | C2' | H6 | 83.2° | 143.9° |
| C3' | C2' | C1' | N1 | 99.8° | 155.5° |
| C3' | C2' | C1' | O2' | 114.5° | 118.2° |
| C3' | C2' | C1' | H6 | 119.6° | 118.3° |
| C3' | C2' | O2' | H6 | 125.6° | 123.6° |
| C2' | C3' | C4' | H3 | 77.0° | 117.4° |
| C2' | C3' | O3' | H5 | 64.5° | 65.3° |
| C3' | C2' | O2' | H7 | 180.0° | 61.4° |
| C3' | C2' | C1' | H8 | 139.2° | 81.4° |
| N1 | C1' | C2' | H8 | 121.0° | 123.0° |
| N1 | C1' | C2' | O2' | 145.7° | 86.3° |
| C1' | N1 | C2 | N3 | 180.0° | 180.0° |
| C1' | N1 | C2 | O2 | 0.0° | 0.1° |
| N1 | C1' | C2' | H6 | 19.9° | 37.3° |
| C1' | N1 | C6 | H10 | 0.1° | 0.3° |
| C2 | N1 | C1' | C2' | 80.3° | 60.5° |
| N1 | C2 | N3 | C4 | 0.6° | 0.0° |
| N1 | C2 | N3 | O2 | 180.0° | 180.0° |
| C2 | N1 | C1' | H8 | 40.4° | 176.5° |
| N1 | C2 | N3 | H9 | 179.4° | 180.0° |
| C2 | N1 | C6 | H10 | 179.7° | 180.0° |
| C1' | C2' | O2' | H6 | 124.7° | 123.7° |
| C1' | C2' | C3' | H4 | 79.4° | 139.6° |
| C1' | C2' | O2' | H7 | 70.3° | 174.2° |
| O4 | C4 | N3 | C2 | 179.9° | 180.0° |
| O4 | C4 | N3 | H9 | 0.1° | 0.0° |
| C4 | N3 | C2 | H9 | 180.0° | 180.0° |
| C4 | N3 | C2 | O2 | 179.5° | 180.0° |
| O2' | C2' | C3' | H4 | 166.8° | 102.2° |
| O2' | C2' | C1' | H8 | 24.7° | 36.7° |
| O2 | C2 | N3 | H9 | 0.5° | 0.1° |
| H1 | C5' | C4' | H3 | 62.0° | 174.5° |
| H2 | C5' | C4' | H3 | 57.5° | 65.4° |
| H3 | C4' | C3' | H4 | 168.0° | 123.7° |
| H4 | C3' | O3' | H5 | 57.9° | 57.5° |
| H4 | C3' | C2' | H6 | 40.1° | 21.3° |
| H6 | C2' | O2' | H7 | 54.4° | 62.1° |
| H6 | C2' | C1' | H8 | 101.2° | 160.3° |
| H11 | C22 | C33 | H12 | 0.7° | 0.3° |
| H12 | C33 | C44 | H13 | 2.7° | 0.1° |
| H14 | OP1 | P | OP3 | 137.6° | 60.0° |
