HEU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP2 | sing | 1.62Å | 1.48Å | |
| P | OP1 | doub | 1.50Å | 1.48Å | |
| P | O5' | sing | 1.62Å | 1.61Å | |
| P | OP3 | sing | 1.62Å | 9.95Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.41Å | |
| C5' | C4' | sing | 1.52Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C3' | sing | 1.52Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.09Å | |
| O4' | C1' | sing | 1.43Å | 1.41Å | |
| C1' | N1 | sing | 1.43Å | 1.49Å | |
| C1' | C2' | sing | 1.52Å | 1.53Å | |
| C1' | H1' | sing | 1.10Å | 1.09Å | |
| N1 | C2 | sing | 1.42Å | 1.40Å | |
| N1 | C6 | sing | 1.39Å | 1.38Å | |
| C2 | O2 | doub | 1.24Å | 1.23Å | |
| C2 | N3 | sing | 1.42Å | 1.40Å | |
| N3 | C7 | sing | 1.46Å | 1.49Å | |
| N3 | C4 | sing | 1.40Å | 1.39Å | |
| C7 | C8 | sing | 1.52Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.09Å | |
| C7 | H72 | sing | 1.09Å | 1.09Å | |
| C8 | O9 | sing | 1.42Å | 1.41Å | |
| C8 | H81 | sing | 1.09Å | 1.09Å | |
| C8 | H82 | sing | 1.09Å | 1.09Å | |
| O9 | H9 | sing | 0.97Å | 0.96Å | |
| C4 | O4 | doub | 1.23Å | 1.23Å | |
| C4 | C5 | sing | 1.48Å | 1.44Å | |
| C5 | C6 | doub | 1.33Å | 1.35Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C3' | C2' | sing | 1.51Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| C2' | H2' | sing | 1.10Å | 1.09Å | |
| C2' | H2'' | sing | 1.09Å | 1.09Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | OP1 | 119.7° | 115.3° |
| OP2 | P | O5' | 107.8° | 103.7° |
| OP2 | P | OP3 | 83.8° | 103.3° |
| P | OP2 | HOP2 | 119.7° | 118.9° |
| OP1 | P | O5' | 108.2° | 115.0° |
| OP1 | P | OP3 | 156.1° | 115.0° |
| O5' | P | OP3 | 56.1° | 102.9° |
| P | O5' | C5' | 121.0° | 118.5° |
| P | OP3 | HOP3 | 83.8° | 118.9° |
| O5' | C5' | C4' | 110.5° | 108.9° |
| O5' | C5' | H5' | 109.4° | 109.0° |
| O5' | C5' | H5'' | 110.3° | 108.9° |
| C4' | C5' | H5' | 107.8° | 110.3° |
| C4' | C5' | H5'' | 110.1° | 110.3° |
| C5' | C4' | O4' | 108.0° | 107.9° |
| C5' | C4' | C3' | 113.8° | 112.9° |
| C5' | C4' | H4' | 107.9° | 109.5° |
| H5' | C5' | H5'' | 108.7° | 109.3° |
| O4' | C4' | C3' | 108.4° | 106.2° |
| O4' | C4' | H4' | 109.3° | 107.9° |
| C4' | O4' | C1' | 109.2° | 109.3° |
| C3' | C4' | H4' | 109.4° | 112.2° |
| C4' | C3' | C2' | 102.3° | 103.1° |
| C4' | C3' | O3' | 108.3° | 109.9° |
| C4' | C3' | H3' | 111.7° | 113.5° |
| O4' | C1' | N1 | 109.8° | 109.3° |
| O4' | C1' | C2' | 106.2° | 107.4° |
| O4' | C1' | H1' | 107.6° | 108.0° |
| N1 | C1' | C2' | 115.3° | 112.8° |
| N1 | C1' | H1' | 111.7° | 107.8° |
| C1' | N1 | C2 | 118.0° | 119.7° |
| C1' | N1 | C6 | 121.4° | 119.6° |
| C2' | C1' | H1' | 105.7° | 111.5° |
| C1' | C2' | C3' | 101.8° | 102.5° |
| C1' | C2' | H2' | 113.8° | 110.6° |
| C1' | C2' | H2'' | 111.5° | 111.7° |
| C2 | N1 | C6 | 120.4° | 120.7° |
| N1 | C2 | O2 | 121.8° | 122.3° |
| N1 | C2 | N3 | 116.9° | 115.3° |
| N1 | C6 | C5 | 121.9° | 124.0° |
| N1 | C6 | H6 | 121.1° | 115.6° |
| O2 | C2 | N3 | 121.3° | 122.5° |
| C2 | N3 | C7 | 117.4° | 117.3° |
| C2 | N3 | C4 | 124.9° | 125.4° |
| C7 | N3 | C4 | 117.1° | 117.3° |
| N3 | C7 | C8 | 108.3° | 109.6° |
| N3 | C7 | H71 | 111.2° | 108.3° |
| N3 | C7 | H72 | 111.5° | 108.1° |
| N3 | C4 | O4 | 121.9° | 126.0° |
| N3 | C4 | C5 | 114.5° | 115.0° |
| C8 | C7 | H71 | 108.7° | 111.3° |
| C8 | C7 | H72 | 110.2° | 110.4° |
| C7 | C8 | O9 | 109.3° | 109.4° |
| C7 | C8 | H81 | 109.8° | 110.0° |
| C7 | C8 | H82 | 110.7° | 111.6° |
| H71 | C7 | H72 | 106.9° | 109.1° |
| O9 | C8 | H81 | 109.9° | 107.9° |
| O9 | C8 | H82 | 108.9° | 108.7° |
| C8 | O9 | H9 | 108.0° | 106.8° |
| H81 | C8 | H82 | 108.2° | 109.0° |
| O4 | C4 | C5 | 123.6° | 119.0° |
| C4 | C5 | C6 | 121.3° | 119.7° |
| C4 | C5 | H5 | 119.2° | 118.5° |
| C6 | C5 | H5 | 119.5° | 121.7° |
| C5 | C6 | H6 | 116.9° | 120.4° |
| C2' | C3' | O3' | 112.6° | 109.7° |
| C2' | C3' | H3' | 111.8° | 113.2° |
| C3' | C2' | H2' | 106.5° | 109.7° |
| C3' | C2' | H2'' | 113.8° | 114.1° |
| O3' | C3' | H3' | 110.0° | 107.4° |
| C3' | O3' | HO3' | 108.3° | 107.3° |
| H2' | C2' | H2'' | 109.2° | 108.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | OP1 | O5' | 123.9° | 120.6° |
| OP2 | P | OP1 | OP3 | 168.8° | 120.1° |
| OP2 | P | O5' | OP3 | 69.3° | 107.4° |
| OP2 | P | O5' | C5' | 174.9° | 53.2° |
| OP2 | P | OP3 | HOP3 | 180.0° | 78.5° |
| OP1 | P | O5' | OP3 | 159.9° | 125.8° |
| OP1 | P | OP2 | HOP2 | 180.0° | 48.8° |
| OP1 | P | O5' | C5' | 44.1° | 179.9° |
| OP1 | P | OP3 | HOP3 | 9.8° | 48.0° |
| O5' | P | OP2 | HOP2 | 55.9° | 175.4° |
| P | O5' | C5' | C4' | 166.0° | 180.0° |
| P | O5' | C5' | H5' | 47.5° | 59.6° |
| P | O5' | C5' | H5'' | 72.0° | 59.6° |
| O5' | P | OP3 | HOP3 | 63.6° | 173.8° |
| OP3 | P | OP2 | HOP2 | 4.6° | 77.5° |
| OP3 | P | O5' | C5' | 115.7° | 54.2° |
| O5' | C5' | C4' | H5' | 119.5° | 119.6° |
| O5' | C5' | C4' | H5'' | 122.1° | 119.5° |
| O5' | C5' | H5' | H5'' | 120.5° | 119.0° |
| O5' | C5' | C4' | O4' | 51.9° | 62.4° |
| O5' | C5' | C4' | C3' | 68.5° | 179.5° |
| O5' | C5' | C4' | H4' | 169.9° | 54.7° |
| C4' | C5' | H5' | H5'' | 119.3° | 121.5° |
| C5' | C4' | O4' | C3' | 123.8° | 121.4° |
| C5' | C4' | O4' | H4' | 117.1° | 118.2° |
| C5' | C4' | C3' | H4' | 120.7° | 124.3° |
| C5' | C4' | O4' | C1' | 127.4° | 108.6° |
| C5' | C4' | C3' | C2' | 102.0° | 88.8° |
| C5' | C4' | C3' | O3' | 138.9° | 154.2° |
| C5' | C4' | C3' | H3' | 17.6° | 34.0° |
| H5' | C5' | C4' | O4' | 67.5° | 57.1° |
| H5' | C5' | C4' | C3' | 172.0° | 60.0° |
| H5' | C5' | C4' | H4' | 50.5° | 174.3° |
| H5'' | C5' | C4' | O4' | 174.0° | 178.1° |
| H5'' | C5' | C4' | C3' | 53.6° | 61.0° |
| H5'' | C5' | C4' | H4' | 68.0° | 64.8° |
| O4' | C4' | C3' | H4' | 119.1° | 117.6° |
| C4' | O4' | C1' | N1 | 149.6° | 131.7° |
| C4' | O4' | C1' | C2' | 24.2° | 9.0° |
| C4' | O4' | C1' | H1' | 88.6° | 111.3° |
| O4' | C4' | C3' | C2' | 18.2° | 29.2° |
| O4' | C4' | C3' | O3' | 100.9° | 87.7° |
| O4' | C4' | C3' | H3' | 137.8° | 152.1° |
| C3' | C4' | O4' | C1' | 3.6° | 12.7° |
| C4' | C3' | C2' | C1' | 30.8° | 33.4° |
| C4' | C3' | C2' | O3' | 116.0° | 117.1° |
| C4' | C3' | C2' | H3' | 119.6° | 123.0° |
| C4' | C3' | O3' | H3' | 122.3° | 123.9° |
| C4' | C3' | C2' | H2' | 88.7° | 84.1° |
| C4' | C3' | C2' | H2'' | 150.9° | 154.3° |
| C4' | C3' | O3' | HO3' | 180.0° | 127.4° |
| H4' | C4' | O4' | C1' | 115.5° | 133.2° |
| H4' | C4' | C3' | C2' | 137.2° | 146.9° |
| H4' | C4' | C3' | O3' | 18.1° | 29.9° |
| H4' | C4' | C3' | H3' | 103.1° | 90.3° |
| O4' | C1' | N1 | C2' | 119.9° | 119.4° |
| O4' | C1' | N1 | H1' | 119.3° | 117.1° |
| O4' | C1' | C2' | H1' | 114.1° | 118.1° |
| O4' | C1' | N1 | C2 | 95.2° | 147.1° |
| O4' | C1' | N1 | C6 | 79.4° | 32.9° |
| O4' | C1' | C2' | C3' | 34.7° | 26.9° |
| O4' | C1' | C2' | H2' | 79.4° | 90.0° |
| O4' | C1' | C2' | H2'' | 156.4° | 149.4° |
| N1 | C1' | C2' | H1' | 124.0° | 121.4° |
| C1' | N1 | C2 | C6 | 174.7° | 180.0° |
| C1' | N1 | C2 | O2 | 0.4° | 0.2° |
| C1' | N1 | C2 | N3 | 179.2° | 179.9° |
| C1' | N1 | C6 | C5 | 177.1° | 179.9° |
| C1' | N1 | C6 | H6 | 0.3° | 0.1° |
| N1 | C1' | C2' | C3' | 156.6° | 147.4° |
| N1 | C1' | C2' | H2' | 42.4° | 30.6° |
| N1 | C1' | C2' | H2'' | 81.7° | 90.1° |
| C2' | C1' | N1 | C2 | 144.9° | 93.5° |
| C2' | C1' | N1 | C6 | 40.5° | 86.5° |
| C1' | C2' | C3' | H2' | 119.5° | 117.5° |
| C1' | C2' | C3' | H2'' | 120.1° | 120.8° |
| C1' | C2' | C3' | O3' | 85.2° | 83.6° |
| C1' | C2' | C3' | H3' | 150.4° | 156.4° |
| C1' | C2' | H2' | H2'' | 125.4° | 122.7° |
| H1' | C1' | N1 | C2 | 24.1° | 30.0° |
| H1' | C1' | N1 | C6 | 161.3° | 150.0° |
| H1' | C1' | C2' | C3' | 79.4° | 91.2° |
| H1' | C1' | C2' | H2' | 166.4° | 151.9° |
| H1' | C1' | C2' | H2'' | 42.3° | 31.3° |
| N1 | C2 | O2 | N3 | 178.8° | 179.9° |
| N1 | C2 | N3 | C7 | 167.8° | 179.5° |
| N1 | C2 | N3 | C4 | 3.5° | 0.5° |
| C2 | N1 | C6 | C5 | 2.6° | 0.1° |
| C2 | N1 | C6 | H6 | 174.8° | 179.9° |
| C6 | N1 | C2 | O2 | 174.3° | 179.8° |
| C6 | N1 | C2 | N3 | 4.6° | 0.1° |
| N1 | C6 | C5 | C4 | 0.8° | 0.0° |
| N1 | C6 | C5 | H6 | 177.5° | 179.9° |
| N1 | C6 | C5 | H5 | 179.7° | 179.9° |
| O2 | C2 | N3 | C7 | 13.3° | 0.7° |
| O2 | C2 | N3 | C4 | 175.4° | 179.4° |
| C2 | N3 | C7 | C4 | 172.0° | 179.9° |
| C2 | N3 | C7 | C8 | 79.0° | 90.0° |
| C2 | N3 | C7 | H71 | 161.5° | 148.5° |
| C2 | N3 | C7 | H72 | 42.4° | 30.3° |
| C2 | N3 | C4 | O4 | 179.7° | 179.2° |
| C2 | N3 | C4 | C5 | 0.3° | 0.6° |
| N3 | C7 | C8 | H71 | 121.0° | 119.7° |
| N3 | C7 | C8 | H72 | 122.2° | 119.0° |
| N3 | C7 | H71 | H72 | 121.9° | 117.5° |
| N3 | C7 | C8 | O9 | 91.0° | 61.6° |
| N3 | C7 | C8 | H81 | 29.7° | 180.0° |
| N3 | C7 | C8 | H82 | 149.1° | 58.8° |
| C7 | N3 | C4 | O4 | 8.3° | 0.8° |
| C7 | N3 | C4 | C5 | 171.0° | 179.3° |
| C4 | N3 | C7 | C8 | 92.9° | 90.0° |
| C4 | N3 | C7 | H71 | 26.5° | 31.5° |
| C4 | N3 | C7 | H72 | 145.6° | 149.6° |
| N3 | C4 | O4 | C5 | 179.3° | 179.8° |
| N3 | C4 | C5 | C6 | 1.9° | 0.3° |
| N3 | C4 | C5 | H5 | 178.5° | 179.7° |
| C8 | C7 | H71 | H72 | 119.0° | 122.1° |
| C7 | C8 | O9 | H81 | 120.6° | 119.7° |
| C7 | C8 | O9 | H82 | 121.0° | 122.1° |
| C7 | C8 | H81 | H82 | 120.9° | 122.7° |
| C7 | C8 | O9 | H9 | 65.3° | 139.9° |
| H71 | C7 | C8 | O9 | 148.1° | 58.1° |
| H71 | C7 | C8 | H81 | 91.3° | 60.3° |
| H71 | C7 | C8 | H82 | 28.2° | 178.5° |
| H72 | C7 | C8 | O9 | 31.2° | 179.5° |
| H72 | C7 | C8 | H81 | 151.9° | 61.0° |
| H72 | C7 | C8 | H82 | 88.7° | 60.1° |
| O9 | C8 | H81 | H82 | 118.8° | 118.0° |
| H81 | C8 | O9 | H9 | 174.0° | 100.3° |
| H82 | C8 | O9 | H9 | 55.7° | 17.8° |
| O4 | C4 | C5 | C6 | 177.5° | 179.5° |
| O4 | C4 | C5 | H5 | 2.1° | 0.4° |
| C4 | C5 | C6 | H5 | 179.6° | 179.9° |
| C4 | C5 | C6 | H6 | 178.3° | 179.9° |
| H5 | C5 | C6 | H6 | 2.2° | 0.0° |
| C2' | C3' | O3' | H3' | 125.4° | 123.4° |
| C3' | C2' | H2' | H2'' | 123.3° | 125.1° |
| C2' | C3' | O3' | HO3' | 67.6° | 119.9° |
| O3' | C3' | C2' | H2' | 155.3° | 158.9° |
| O3' | C3' | C2' | H2'' | 34.9° | 37.2° |
| H3' | C3' | C2' | H2' | 30.9° | 38.9° |
| H3' | C3' | C2' | H2'' | 89.5° | 82.7° |
| H3' | C3' | O3' | HO3' | 57.8° | 3.5° |
