16B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | N4 | sing | 1.42Å | 1.38Å | |
| N4 | C4 | sing | 1.38Å | 1.30Å | |
| C4 | C5 | sing | 1.41Å | 1.39Å | |
| C4 | N3 | doub | 1.33Å | 1.36Å | |
| C5 | C6 | doub | 1.35Å | 1.38Å | |
| N3 | C2 | sing | 1.33Å | 1.35Å | |
| C6 | N1 | sing | 1.36Å | 1.40Å | |
| C2 | N1 | sing | 1.35Å | 1.39Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| N1 | C1' | sing | 1.47Å | 1.51Å | |
| O2' | C2' | sing | 1.43Å | 1.48Å | |
| C2' | C1' | sing | 1.55Å | 1.56Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.53Å | |
| O4' | C4' | sing | 1.44Å | 1.51Å | |
| OP1 | P | doub | 1.48Å | 1.61Å | |
| C3' | C4' | sing | 1.54Å | 1.59Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| C5' | C4' | sing | 1.53Å | 1.63Å | |
| C5' | O5' | sing | 1.43Å | 1.48Å | |
| O5' | P | sing | 1.61Å | 1.64Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| P | OP2 | sing | 1.61Å | 1.47Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| OP2 | HOP2 | 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 | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N4 | H41 | sing | 0.97Å | 1.00Å | |
| OAC | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | N4 | C4 | 109.7° | 120.0° |
| OAC | N4 | H41 | 125.1° | 120.0° |
| N4 | OAC | H14 | 109.5° | 114.0° |
| N4 | C4 | C5 | 114.7° | 120.2° |
| N4 | C4 | N3 | 123.5° | 120.2° |
| C4 | N4 | H41 | 125.2° | 120.0° |
| C5 | C4 | N3 | 121.7° | 119.6° |
| C4 | C5 | C6 | 118.7° | 118.9° |
| C4 | C5 | H5 | 120.7° | 120.6° |
| C4 | N3 | C2 | 119.9° | 120.7° |
| C5 | C6 | N1 | 119.7° | 119.3° |
| C5 | C6 | H6 | 120.1° | 120.4° |
| C6 | C5 | H5 | 120.7° | 120.5° |
| N3 | C2 | N1 | 120.7° | 121.1° |
| N3 | C2 | O2 | 119.1° | 119.5° |
| C6 | N1 | C2 | 119.2° | 120.3° |
| C6 | N1 | C1' | 115.2° | 119.9° |
| N1 | C6 | H6 | 120.1° | 120.3° |
| N1 | C2 | O2 | 120.3° | 119.5° |
| C2 | N1 | C1' | 125.5° | 119.8° |
| N1 | C1' | C2' | 113.5° | 110.6° |
| N1 | C1' | O4' | 110.2° | 110.8° |
| N1 | C1' | H1' | 110.2° | 110.7° |
| O2' | C2' | C1' | 116.7° | 110.9° |
| O2' | C2' | C3' | 109.9° | 110.9° |
| O2' | C2' | H2' | 110.0° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.1° |
| C1' | C2' | C3' | 101.6° | 102.1° |
| C2' | C1' | O4' | 103.1° | 103.5° |
| C1' | C2' | H2' | 109.0° | 110.9° |
| C2' | C1' | H1' | 109.6° | 110.6° |
| C2' | C3' | C4' | 104.7° | 104.2° |
| C2' | C3' | O3' | 109.1° | 110.5° |
| C2' | C3' | H3' | 108.8° | 110.6° |
| C3' | C2' | H2' | 109.3° | 110.9° |
| C1' | O4' | C4' | 107.8° | 107.0° |
| O4' | C1' | H1' | 109.9° | 110.5° |
| O4' | C4' | C3' | 104.8° | 107.4° |
| O4' | C4' | C5' | 104.3° | 109.9° |
| O4' | C4' | H4' | 109.5° | 109.9° |
| OP1 | P | O5' | 111.8° | 109.5° |
| OP1 | P | OP3 | 105.5° | 109.4° |
| OP1 | P | OP2 | 111.5° | 109.4° |
| C4' | C3' | O3' | 116.3° | 110.5° |
| C3' | C4' | C5' | 121.4° | 109.9° |
| C3' | C4' | H4' | 108.4° | 109.9° |
| C4' | C3' | H3' | 108.0° | 110.4° |
| O3' | C3' | H3' | 109.7° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C5' | O5' | 111.6° | 109.4° |
| C4' | C5' | H5' | 108.9° | 109.5° |
| C4' | C5' | H5'' | 108.9° | 109.5° |
| C5' | C4' | H4' | 108.0° | 109.9° |
| C5' | O5' | P | 133.2° | 123.0° |
| O5' | C5' | H5' | 109.0° | 109.4° |
| O5' | C5' | H5'' | 109.0° | 109.5° |
| O5' | P | OP3 | 103.3° | 109.5° |
| O5' | P | OP2 | 108.7° | 109.5° |
| OP3 | P | OP2 | 115.9° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| P | OP2 | HOP2 | 109.5° | 114.1° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | N4 | C4 | H41 | 180.0° | 180.0° |
| OAC | N4 | C4 | C5 | 64.8° | 180.0° |
| OAC | N4 | C4 | N3 | 112.3° | 0.2° |
| N4 | C4 | C5 | N3 | 177.1° | 179.8° |
| N4 | C4 | C5 | C6 | 178.1° | 180.0° |
| N4 | C4 | N3 | C2 | 177.6° | 179.9° |
| N4 | C4 | C5 | H5 | 1.9° | 0.1° |
| C4 | N4 | OAC | H14 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.7° | 0.3° |
| C4 | C5 | C6 | N1 | 0.6° | 0.0° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C5 | C4 | N4 | H41 | 115.2° | 0.0° |
| N3 | C4 | C5 | C6 | 1.0° | 0.3° |
| C4 | N3 | C2 | N1 | 1.1° | 0.1° |
| C4 | N3 | C2 | O2 | 179.9° | 179.9° |
| N3 | C4 | C5 | H5 | 179.0° | 179.7° |
| N3 | C4 | N4 | H41 | 67.7° | 179.8° |
| C5 | C6 | N1 | H6 | 180.0° | 179.9° |
| C5 | C6 | N1 | C2 | 2.3° | 0.2° |
| C5 | C6 | N1 | C1' | 178.1° | 180.0° |
| N3 | C2 | N1 | C6 | 2.6° | 0.1° |
| N3 | C2 | N1 | O2 | 179.0° | 179.8° |
| N3 | C2 | N1 | C1' | 177.9° | 180.0° |
| C6 | N1 | C2 | C1' | 175.3° | 179.8° |
| C6 | N1 | C2 | O2 | 178.4° | 179.7° |
| C6 | N1 | C1' | C2' | 9.7° | 114.7° |
| C6 | N1 | C1' | O4' | 105.4° | 131.1° |
| C6 | N1 | C1' | H1' | 133.1° | 8.2° |
| N1 | C6 | C5 | H5 | 179.5° | 179.9° |
| C2 | N1 | C1' | C2' | 174.8° | 65.1° |
| C2 | N1 | C1' | O4' | 70.1° | 49.0° |
| C2 | N1 | C1' | H1' | 51.4° | 172.0° |
| C2 | N1 | C6 | H6 | 177.7° | 179.8° |
| O2 | C2 | N1 | C1' | 3.1° | 0.1° |
| N1 | C1' | C2' | O2' | 79.2° | 86.2° |
| N1 | C1' | C2' | O4' | 119.2° | 118.6° |
| N1 | C1' | C2' | H1' | 123.8° | 123.0° |
| N1 | C1' | C2' | C3' | 161.3° | 155.6° |
| N1 | C1' | O4' | H1' | 121.7° | 123.0° |
| N1 | C1' | O4' | C4' | 151.8° | 158.5° |
| N1 | C1' | C2' | H2' | 46.0° | 37.4° |
| C1' | N1 | C6 | H6 | 2.0° | 0.1° |
| O2' | C2' | C1' | C3' | 119.5° | 118.2° |
| O2' | C2' | C1' | H2' | 125.3° | 123.6° |
| O2' | C2' | C3' | H2' | 120.8° | 123.6° |
| O2' | C2' | C1' | O4' | 161.5° | 155.2° |
| O2' | C2' | C3' | C4' | 162.3° | 139.1° |
| O2' | C2' | C3' | O3' | 37.2° | 20.5° |
| O2' | C2' | C3' | H3' | 82.4° | 102.2° |
| O2' | C2' | C1' | H1' | 44.5° | 36.8° |
| C1' | C2' | C3' | H2' | 115.0° | 118.2° |
| C2' | C1' | O4' | H1' | 116.8° | 118.4° |
| C2' | C1' | O4' | C4' | 30.3° | 39.9° |
| C1' | C2' | C3' | C4' | 38.1° | 20.9° |
| C1' | C2' | C3' | O3' | 87.0° | 97.8° |
| C1' | C2' | C3' | H3' | 153.4° | 139.5° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C3' | C2' | C1' | O4' | 42.0° | 37.0° |
| C2' | C3' | C4' | O4' | 20.0° | 1.9° |
| C2' | C3' | C4' | O3' | 120.4° | 118.7° |
| C2' | C3' | C4' | H3' | 115.9° | 118.8° |
| C2' | C3' | O3' | H3' | 119.1° | 122.7° |
| C2' | C3' | C4' | C5' | 97.4° | 121.4° |
| C2' | C3' | C4' | H4' | 136.9° | 117.6° |
| C2' | C3' | O3' | HO3' | 180.0° | 65.3° |
| C3' | C2' | O2' | HO2' | 65.1° | 67.3° |
| C3' | C2' | C1' | H1' | 75.0° | 81.4° |
| C1' | O4' | C4' | C3' | 6.6° | 26.4° |
| C1' | O4' | C4' | C5' | 135.1° | 145.9° |
| C1' | O4' | C4' | H4' | 109.5° | 93.1° |
| O4' | C1' | C2' | H2' | 73.2° | 81.2° |
| O4' | C4' | C3' | C5' | 117.4° | 119.5° |
| O4' | C4' | C3' | H4' | 116.8° | 119.5° |
| O4' | C4' | C3' | O3' | 100.4° | 120.6° |
| O4' | C4' | C5' | H4' | 116.4° | 121.0° |
| O4' | C4' | C5' | O5' | 176.6° | 66.7° |
| O4' | C4' | C5' | H5' | 63.1° | 53.2° |
| O4' | C4' | C5' | H5'' | 56.3° | 173.3° |
| O4' | C4' | C3' | H3' | 135.9° | 116.8° |
| C4' | O4' | C1' | H1' | 86.5° | 78.5° |
| OP1 | P | O5' | C5' | 53.7° | 55.1° |
| OP1 | P | O5' | OP3 | 112.9° | 120.0° |
| OP1 | P | O5' | OP2 | 123.4° | 120.0° |
| OP1 | P | OP3 | OP2 | 123.9° | 119.9° |
| OP1 | P | OP3 | HOP3 | 0.0° | 179.9° |
| OP1 | P | OP2 | HOP2 | 0.0° | 59.9° |
| C4' | C3' | O3' | H3' | 122.9° | 122.5° |
| C3' | C4' | C5' | H4' | 126.0° | 121.0° |
| C3' | C4' | C5' | O5' | 65.8° | 175.4° |
| C3' | C4' | C5' | H5' | 54.6° | 64.7° |
| C3' | C4' | C5' | H5'' | 173.9° | 55.4° |
| C4' | C3' | O3' | HO3' | 62.0° | 179.9° |
| C4' | C3' | C2' | H2' | 76.9° | 97.3° |
| O3' | C3' | C4' | C5' | 142.2° | 119.9° |
| O3' | C3' | C4' | H4' | 16.5° | 1.1° |
| O3' | C3' | C2' | H2' | 158.0° | 144.0° |
| C4' | C5' | O5' | H5' | 120.3° | 119.9° |
| C4' | C5' | O5' | H5'' | 120.3° | 120.0° |
| C4' | C5' | O5' | P | 178.7° | 180.0° |
| C4' | C5' | H5' | H5'' | 119.0° | 120.1° |
| C5' | C4' | C3' | H3' | 18.5° | 2.6° |
| C5' | O5' | P | OP3 | 59.2° | 64.9° |
| C5' | O5' | P | OP2 | 177.1° | 175.1° |
| O5' | C5' | H5' | H5'' | 119.1° | 120.0° |
| O5' | C5' | C4' | H4' | 60.2° | 54.4° |
| O5' | P | OP3 | OP2 | 118.7° | 120.1° |
| O5' | P | OP3 | HOP3 | 117.4° | 60.0° |
| O5' | P | OP2 | HOP2 | 123.6° | 180.0° |
| P | O5' | C5' | H5' | 58.3° | 60.1° |
| P | O5' | C5' | H5'' | 61.1° | 59.9° |
| OP3 | P | OP2 | HOP2 | 120.7° | 60.0° |
| OP2 | P | OP3 | HOP3 | 123.9° | 60.0° |
| H5' | C5' | C4' | H4' | 179.5° | 174.3° |
| H5'' | C5' | C4' | H4' | 60.1° | 65.6° |
| H4' | C4' | C3' | H3' | 107.2° | 123.6° |
| H3' | C3' | O3' | HO3' | 60.9° | 57.4° |
| H3' | C3' | C2' | H2' | 38.4° | 21.3° |
| H2' | C2' | O2' | HO2' | 55.3° | 56.4° |
| H2' | C2' | C1' | H1' | 169.8° | 160.4° |
| H6 | C6 | C5 | H5 | 0.5° | 0.0° |
| H41 | N4 | OAC | H14 | 0.0° | 0.0° |
