6HB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD | CC | doub | 1.31Å | 1.32Å | |
| CC | CB | sing | 1.51Å | 1.51Å | |
| OB | CB | sing | 1.43Å | 1.41Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CA | N6 | sing | 1.47Å | 1.48Å | |
| N6 | C6 | sing | 1.38Å | 1.34Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.41Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.37Å | Aromatic |
| OP2 | P | sing | 1.61Å | 1.49Å | |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.48Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.54Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| O5' | P | sing | 1.61Å | 1.62Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| OP2 | H3 | sing | 0.97Å | 0.95Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | HN | sing | 0.97Å | 1.00Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| OB | HOB | sing | 0.97Å | 0.95Å | |
| CC | HC | sing | 1.08Å | 1.08Å | |
| CD | HD2 | sing | 1.08Å | 1.08Å | |
| CD | HD1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| O3' | H4 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 21.35Å | |
| OP3 | H1 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD | CC | CB | 127.0° | 120.0° |
| CD | CC | HC | 116.5° | 120.0° |
| CC | CD | HD2 | 120.0° | 120.0° |
| CC | CD | HD1 | 120.0° | 120.0° |
| CC | CB | OB | 109.4° | 109.5° |
| CC | CB | CA | 110.8° | 109.4° |
| CC | CB | HB | 109.7° | 109.4° |
| CB | CC | HC | 116.5° | 120.0° |
| OB | CB | CA | 106.3° | 109.5° |
| OB | CB | HB | 111.2° | 109.5° |
| CB | OB | HOB | 109.5° | 114.0° |
| CB | CA | N6 | 112.2° | 109.4° |
| CB | CA | HA1 | 108.8° | 109.4° |
| CB | CA | HA2 | 108.8° | 109.5° |
| CA | CB | HB | 109.5° | 109.5° |
| CA | N6 | C6 | 128.9° | 120.0° |
| CA | N6 | HN | 104.4° | 120.0° |
| N6 | CA | HA1 | 108.8° | 109.5° |
| N6 | CA | HA2 | 108.8° | 109.5° |
| N6 | C6 | N1 | 113.6° | 120.7° |
| N6 | C6 | C5 | 127.1° | 120.8° |
| C6 | N6 | HN | 104.4° | 120.0° |
| C3' | C2' | C1' | 103.2° | 104.2° |
| C2' | C3' | O3' | 115.6° | 110.9° |
| C2' | C3' | C4' | 101.7° | 102.1° |
| C2' | C3' | H3' | 109.4° | 110.9° |
| C3' | C2' | H2' | 111.0° | 110.5° |
| C3' | C2' | H2'' | 111.0° | 110.4° |
| C2' | C1' | N9 | 112.9° | 110.0° |
| C2' | C1' | O4' | 107.9° | 107.3° |
| C2' | C1' | H1' | 108.9° | 109.9° |
| C1' | C2' | H2' | 111.0° | 110.5° |
| C1' | C2' | H2'' | 111.0° | 110.5° |
| N1 | C6 | C5 | 119.3° | 118.5° |
| C6 | N1 | C2 | 119.5° | 121.1° |
| C6 | C5 | N7 | 135.2° | 134.7° |
| C6 | C5 | C4 | 114.3° | 118.2° |
| N1 | C2 | N3 | 127.5° | 122.5° |
| N1 | C2 | H2 | 116.3° | 118.8° |
| C5 | N7 | C8 | 103.4° | 109.5° |
| N7 | C5 | C4 | 110.5° | 107.1° |
| N7 | C8 | N9 | 114.2° | 109.9° |
| N7 | C8 | H8 | 122.9° | 125.1° |
| C5 | C4 | N3 | 127.7° | 119.1° |
| C5 | C4 | N9 | 106.2° | 106.0° |
| OP2 | P | O5' | 108.0° | 109.5° |
| OP2 | P | OP1 | 118.5° | 109.5° |
| P | OP2 | H3 | 109.5° | 114.0° |
| OP2 | P | OP3 | 37.2° | 109.5° |
| C2 | N3 | C4 | 111.7° | 120.6° |
| N3 | C2 | H2 | 116.3° | 118.7° |
| C8 | N9 | C4 | 105.7° | 107.4° |
| C8 | N9 | C1' | 127.8° | 126.3° |
| N9 | C8 | H8 | 122.9° | 125.0° |
| N3 | C4 | N9 | 126.1° | 134.9° |
| C4 | N9 | C1' | 126.5° | 126.3° |
| N9 | C1' | O4' | 107.2° | 109.9° |
| N9 | C1' | H1' | 109.5° | 109.9° |
| O3' | C3' | C4' | 109.4° | 110.9° |
| O3' | C3' | H3' | 110.9° | 110.9° |
| C3' | O3' | H4 | 109.5° | 114.0° |
| C3' | C4' | O4' | 109.8° | 103.5° |
| C3' | C4' | C5' | 111.9° | 110.6° |
| C3' | C4' | H4' | 107.4° | 110.7° |
| C4' | C3' | H3' | 109.3° | 110.9° |
| C1' | O4' | C4' | 108.4° | 107.0° |
| O4' | C1' | H1' | 110.5° | 109.9° |
| P | O5' | C5' | 121.5° | 123.0° |
| O5' | P | OP1 | 109.0° | 109.5° |
| O5' | P | OP3 | 70.9° | 109.5° |
| O5' | C5' | C4' | 114.4° | 109.5° |
| O5' | C5' | H5'' | 108.2° | 109.5° |
| O5' | C5' | H5' | 108.3° | 109.5° |
| OP1 | P | OP3 | 131.9° | 109.5° |
| O4' | C4' | C5' | 111.2° | 110.6° |
| O4' | C4' | H4' | 108.8° | 110.7° |
| C4' | C5' | H5'' | 108.2° | 109.5° |
| C4' | C5' | H5' | 108.2° | 109.4° |
| C5' | C4' | H4' | 107.4° | 110.6° |
| H5'' | C5' | H5' | 109.4° | 109.4° |
| HA1 | CA | HA2 | 109.5° | 109.5° |
| HD2 | CD | HD1 | 120.0° | 120.0° |
| H2' | C2' | H2'' | 109.5° | 110.5° |
| P | OP3 | H1 | 90.0° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD | CC | CB | HC | 180.0° | 180.0° |
| CD | CC | CB | OB | 12.0° | 120.0° |
| CD | CC | CB | CA | 128.8° | 120.0° |
| CD | CC | CB | HB | 110.2° | 0.0° |
| CC | CD | HD2 | HD1 | 180.0° | 180.0° |
| CC | CB | OB | CA | 119.6° | 120.0° |
| CC | CB | OB | HB | 121.3° | 120.0° |
| CC | CB | CA | HB | 121.1° | 119.9° |
| CC | CB | CA | N6 | 77.4° | 175.0° |
| CC | CB | CA | HA1 | 43.0° | 65.1° |
| CC | CB | CA | HA2 | 162.2° | 55.0° |
| CC | CB | OB | HOB | 180.0° | 60.0° |
| CB | CC | CD | HD2 | 180.0° | 180.0° |
| CB | CC | CD | HD1 | 0.0° | 0.0° |
| OB | CB | CA | HB | 120.2° | 120.1° |
| OB | CB | CA | N6 | 163.9° | 65.0° |
| OB | CB | CA | HA1 | 75.7° | 55.0° |
| OB | CB | CA | HA2 | 43.5° | 175.0° |
| OB | CB | CC | HC | 167.9° | 60.0° |
| CB | CA | N6 | HA1 | 120.4° | 119.9° |
| CB | CA | N6 | HA2 | 120.4° | 120.0° |
| CB | CA | N6 | C6 | 102.9° | 180.0° |
| CB | CA | N6 | HN | 134.6° | 0.1° |
| CB | CA | HA1 | HA2 | 118.7° | 120.0° |
| CA | CB | OB | HOB | 60.4° | 60.0° |
| CA | CB | CC | HC | 51.1° | 60.0° |
| CA | N6 | C6 | HN | 122.5° | 179.9° |
| CA | N6 | C6 | N1 | 178.3° | 0.0° |
| CA | N6 | C6 | C5 | 2.6° | 179.9° |
| N6 | CA | HA1 | HA2 | 118.8° | 120.1° |
| N6 | CA | CB | HB | 43.7° | 55.1° |
| N6 | C6 | N1 | C5 | 179.2° | 180.0° |
| N6 | C6 | N1 | C2 | 178.7° | 179.8° |
| N6 | C6 | C5 | N7 | 0.8° | 0.1° |
| N6 | C6 | C5 | C4 | 178.1° | 179.7° |
| C6 | N6 | CA | HA1 | 17.5° | 60.0° |
| C6 | N6 | CA | HA2 | 136.7° | 60.0° |
| C3' | C2' | C1' | H2' | 119.0° | 118.7° |
| C3' | C2' | C1' | H2'' | 119.0° | 118.6° |
| C3' | C2' | C1' | N9 | 147.6° | 121.5° |
| C2' | C3' | O3' | C4' | 114.1° | 112.7° |
| C2' | C3' | O3' | H3' | 125.3° | 123.7° |
| C2' | C3' | C4' | H3' | 115.6° | 118.2° |
| C3' | C2' | C1' | O4' | 29.3° | 2.0° |
| C2' | C3' | C4' | O4' | 19.1° | 37.1° |
| C2' | C3' | C4' | C5' | 105.0° | 155.5° |
| C2' | C3' | C4' | H4' | 137.3° | 81.5° |
| C3' | C2' | C1' | H1' | 90.6° | 117.4° |
| C3' | C2' | H2' | H2'' | 122.9° | 122.6° |
| C2' | C3' | O3' | H4 | 180.0° | 67.4° |
| C2' | C1' | N9 | C8 | 56.3° | 94.3° |
| C2' | C1' | N9 | C4 | 121.7° | 85.4° |
| C2' | C1' | N9 | O4' | 118.6° | 117.9° |
| C2' | C1' | N9 | H1' | 121.5° | 121.1° |
| C1' | C2' | C3' | O3' | 90.5° | 139.1° |
| C1' | C2' | C3' | C4' | 28.0° | 20.9° |
| C2' | C1' | O4' | H1' | 118.9° | 119.4° |
| C2' | C1' | O4' | C4' | 17.7° | 26.6° |
| C1' | C2' | C3' | H3' | 143.5° | 97.3° |
| C1' | C2' | H2' | H2'' | 122.9° | 122.6° |
| N1 | C6 | C5 | N7 | 179.8° | 180.0° |
| N1 | C6 | C5 | C4 | 0.9° | 0.2° |
| C6 | N1 | C2 | N3 | 0.6° | 0.0° |
| N1 | C6 | N6 | HN | 55.8° | 179.9° |
| C6 | N1 | C2 | H2 | 179.4° | 179.9° |
| C5 | C6 | N1 | C2 | 0.5° | 0.2° |
| C6 | C5 | N7 | C4 | 179.0° | 179.8° |
| C6 | C5 | N7 | C8 | 178.8° | 180.0° |
| C6 | C5 | C4 | N3 | 0.5° | 0.2° |
| C6 | C5 | C4 | N9 | 178.3° | 179.8° |
| C5 | C6 | N6 | HN | 125.1° | 0.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 1.0° | 0.1° |
| C5 | N7 | C8 | N9 | 0.8° | 0.0° |
| N7 | C5 | C4 | N3 | 179.6° | 180.0° |
| N7 | C5 | C4 | N9 | 0.9° | 0.4° |
| C5 | N7 | C8 | H8 | 179.2° | 179.9° |
| C8 | N7 | C5 | C4 | 0.1° | 0.2° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C4 | 1.4° | 0.3° |
| N7 | C8 | N9 | C1' | 176.9° | 180.0° |
| C5 | C4 | N3 | C2 | 0.4° | 0.0° |
| C5 | C4 | N9 | C8 | 1.3° | 0.4° |
| C5 | C4 | N3 | N9 | 178.5° | 179.5° |
| C5 | C4 | N9 | C1' | 177.0° | 179.8° |
| OP2 | P | O5' | OP1 | 130.0° | 120.0° |
| OP2 | P | O5' | OP3 | 1.1° | 120.0° |
| OP2 | P | O5' | C5' | 176.8° | 65.0° |
| OP2 | P | OP1 | OP3 | 43.0° | 120.0° |
| OP2 | P | OP3 | H1 | 90.0° | 60.0° |
| C2 | N3 | C4 | N9 | 178.9° | 179.5° |
| C8 | N9 | C4 | N3 | 179.9° | 179.9° |
| C8 | N9 | C4 | C1' | 178.3° | 179.8° |
| C8 | N9 | C1' | O4' | 62.4° | 23.5° |
| C8 | N9 | C1' | H1' | 177.7° | 144.6° |
| N3 | C4 | N9 | C1' | 1.8° | 0.3° |
| C4 | N3 | C2 | H2 | 179.0° | 180.0° |
| C4 | N9 | C1' | O4' | 119.7° | 156.8° |
| C4 | N9 | C1' | H1' | 0.2° | 35.7° |
| C4 | N9 | C8 | H8 | 178.6° | 179.8° |
| N9 | C1' | O4' | H1' | 119.3° | 121.1° |
| N9 | C1' | O4' | C4' | 139.5° | 146.1° |
| C1' | N9 | C8 | H8 | 3.1° | 0.1° |
| N9 | C1' | C2' | H2' | 28.6° | 119.8° |
| N9 | C1' | C2' | H2'' | 93.4° | 2.9° |
| O3' | C3' | C4' | H3' | 121.6° | 123.6° |
| O3' | C3' | C4' | O4' | 103.7° | 155.3° |
| O3' | C3' | C4' | C5' | 132.2° | 86.3° |
| O3' | C3' | C4' | H4' | 14.5° | 36.7° |
| O3' | C3' | C2' | H2' | 150.5° | 20.4° |
| O3' | C3' | C2' | H2'' | 28.5° | 102.2° |
| C3' | C4' | O4' | C1' | 1.2° | 40.1° |
| C3' | C4' | C5' | O5' | 52.4° | 179.5° |
| C3' | C4' | O4' | C5' | 124.5° | 118.4° |
| C3' | C4' | O4' | H4' | 117.3° | 118.6° |
| C3' | C4' | C5' | H4' | 117.7° | 123.1° |
| C3' | C4' | C5' | H5'' | 68.3° | 60.4° |
| C3' | C4' | C5' | H5' | 173.2° | 59.5° |
| C4' | C3' | C2' | H2' | 91.0° | 97.8° |
| C4' | C3' | C2' | H2'' | 146.9° | 139.6° |
| C4' | C3' | O3' | H4 | 65.9° | 180.0° |
| C1' | O4' | C4' | C5' | 123.3° | 158.6° |
| C1' | O4' | C4' | H4' | 118.6° | 78.5° |
| O4' | C1' | C2' | H2' | 89.7° | 120.7° |
| O4' | C1' | C2' | H2'' | 148.3° | 116.6° |
| O5' | P | OP1 | OP3 | 81.0° | 120.0° |
| P | O5' | C5' | C4' | 178.7° | 180.0° |
| O5' | P | OP2 | H3 | 124.5° | 60.0° |
| P | O5' | C5' | H5'' | 57.9° | 60.0° |
| P | O5' | C5' | H5' | 60.6° | 60.0° |
| O5' | P | OP3 | H1 | 90.0° | 180.0° |
| C5' | O5' | P | OP1 | 46.8° | 55.0° |
| O5' | C5' | C4' | O4' | 70.9° | 66.5° |
| O5' | C5' | C4' | H5'' | 120.7° | 120.1° |
| O5' | C5' | C4' | H5' | 120.8° | 120.0° |
| O5' | C5' | H5'' | H5' | 117.8° | 120.0° |
| O5' | C5' | C4' | H4' | 170.1° | 56.4° |
| C5' | O5' | P | OP3 | 175.7° | 175.0° |
| OP1 | P | OP2 | H3 | 0.0° | 180.0° |
| OP1 | P | OP3 | H1 | 90.0° | 60.0° |
| O4' | C4' | C5' | H4' | 119.0° | 122.9° |
| O4' | C4' | C5' | H5'' | 168.4° | 53.6° |
| O4' | C4' | C5' | H5' | 49.9° | 173.5° |
| C4' | O4' | C1' | H1' | 101.2° | 92.8° |
| O4' | C4' | C3' | H3' | 134.7° | 81.1° |
| C4' | C5' | H5'' | H5' | 117.7° | 119.9° |
| C5' | C4' | C3' | H3' | 10.6° | 37.3° |
| H3 | OP2 | P | OP3 | 122.8° | 60.0° |
| H5'' | C5' | C4' | H4' | 49.4° | 176.5° |
| H5' | C5' | C4' | H4' | 69.1° | 63.6° |
| H4' | C4' | C3' | H3' | 107.1° | 160.3° |
| H1' | C1' | C2' | H2' | 150.4° | 1.3° |
| H1' | C1' | C2' | H2'' | 28.4° | 123.9° |
| HN | N6 | CA | HA1 | 105.0° | 119.9° |
| HN | N6 | CA | HA2 | 14.2° | 120.0° |
| HA1 | CA | CB | HB | 164.1° | 175.0° |
| HA2 | CA | CB | HB | 76.8° | 64.9° |
| HB | CB | OB | HOB | 58.7° | 179.9° |
| HB | CB | CC | HC | 69.8° | 180.0° |
| HC | CC | CD | HD2 | 0.0° | 0.0° |
| HC | CC | CD | HD1 | 180.0° | NaN° |
| H3' | C3' | C2' | H2' | 24.5° | 144.1° |
| H3' | C3' | C2' | H2'' | 97.5° | 21.4° |
| H3' | C3' | O3' | H4 | 54.7° | 56.4° |
