31H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CE | SD | sing | 1.81Å | 1.78Å | |
| C2 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| SD | CG | sing | 1.81Å | 1.83Å | |
| OP1 | P | doub | 1.48Å | 1.48Å | |
| N1 | C6 | sing | 1.33Å | 1.32Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| CG | CB | sing | 1.53Å | 1.53Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | C5 | doub | 1.40Å | 1.34Å | Aromatic |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.41Å | 1.33Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.36Å | Aromatic |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| C5 | N7 | sing | 1.36Å | 1.31Å | Aromatic |
| CN | N | sing | 1.35Å | 1.33Å | |
| CN | OCN | doub | 1.21Å | 1.22Å | |
| O4' | C4' | sing | 1.44Å | 1.44Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C1' | N9 | sing | 1.47Å | 1.50Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| N3' | C | sing | 1.35Å | 1.36Å | |
| N3' | C3' | sing | 1.47Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C3' | C2' | sing | 1.55Å | 1.55Å | |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| C2' | O2' | sing | 1.43Å | 1.46Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| N3' | HN3' | sing | 0.97Å | 1.00Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | H61 | sing | 0.97Å | 1.00Å | |
| N6 | H62 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CN | HCN | sing | 1.08Å | 1.08Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CE | HE1 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| P | OP3 | sing | 1.61Å | 97.44Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CE | SD | CG | 101.8° | 103.0° |
| SD | CE | HE1 | 109.5° | 109.5° |
| SD | CE | HE2 | 109.5° | 109.5° |
| SD | CE | HE3 | 109.4° | 109.5° |
| N1 | C2 | N3 | 120.2° | 122.5° |
| C2 | N1 | C6 | 119.1° | 121.2° |
| N1 | C2 | H2 | 119.9° | 118.8° |
| C2 | N3 | C4 | 119.1° | 120.6° |
| N3 | C2 | H2 | 119.9° | 118.8° |
| SD | CG | CB | 113.0° | 109.5° |
| SD | CG | HG3 | 108.6° | 109.5° |
| SD | CG | HG2 | 108.5° | 109.5° |
| OP1 | P | O5' | 108.4° | 109.5° |
| OP1 | P | OP2 | 120.3° | 109.5° |
| OP1 | P | OP3 | 48.1° | 109.5° |
| N1 | C6 | N6 | 119.7° | 120.8° |
| N1 | C6 | C5 | 121.7° | 118.4° |
| N3 | C4 | C5 | 121.5° | 119.1° |
| N3 | C4 | N9 | 131.0° | 134.9° |
| CG | CB | CA | 114.7° | 109.5° |
| CG | CB | HB2 | 108.2° | 109.5° |
| CG | CB | HB3 | 108.1° | 109.5° |
| CB | CG | HG3 | 108.6° | 109.5° |
| CB | CG | HG2 | 108.6° | 109.5° |
| O5' | P | OP2 | 108.3° | 109.5° |
| P | O5' | C5' | 119.5° | 123.0° |
| O5' | P | OP3 | 70.1° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP2 | P | OP3 | 107.4° | 109.5° |
| N6 | C6 | C5 | 118.6° | 120.8° |
| C6 | N6 | H61 | 109.5° | 120.0° |
| C6 | N6 | H62 | 109.4° | 119.9° |
| C6 | C5 | C4 | 118.4° | 118.2° |
| C6 | C5 | N7 | 133.4° | 134.7° |
| CB | CA | N | 111.0° | 109.5° |
| CB | CA | C | 109.1° | 109.5° |
| CB | CA | HA | 108.0° | 109.4° |
| CA | CB | HB2 | 108.1° | 109.4° |
| CA | CB | HB3 | 108.2° | 109.5° |
| C5 | C4 | N9 | 107.5° | 106.0° |
| C4 | C5 | N7 | 108.2° | 107.1° |
| C4 | N9 | C1' | 126.0° | 126.3° |
| C4 | N9 | C8 | 106.3° | 107.4° |
| O5' | C5' | C4' | 108.6° | 109.5° |
| O5' | C5' | H5' | 109.7° | 109.4° |
| O5' | C5' | H5'' | 109.7° | 109.5° |
| N | CA | C | 111.9° | 109.5° |
| CA | N | CN | 119.6° | 120.0° |
| N | CA | HA | 108.8° | 109.4° |
| CA | N | HN | 120.2° | 120.0° |
| CA | C | N3' | 115.8° | 120.0° |
| CA | C | O | 120.1° | 120.0° |
| C | CA | HA | 107.9° | 109.5° |
| C5 | N7 | C8 | 109.1° | 109.5° |
| N | CN | OCN | 120.2° | 120.0° |
| CN | N | HN | 120.2° | 120.0° |
| N | CN | HCN | 119.9° | 120.0° |
| OCN | CN | HCN | 119.9° | 120.1° |
| C4' | O4' | C1' | 104.2° | 106.9° |
| O4' | C4' | C5' | 109.7° | 109.9° |
| O4' | C4' | C3' | 105.9° | 107.3° |
| O4' | C4' | H4' | 111.1° | 110.0° |
| O4' | C1' | N9 | 115.0° | 110.6° |
| O4' | C1' | C2' | 102.5° | 103.5° |
| O4' | C1' | H1' | 109.8° | 110.7° |
| C5' | C4' | C3' | 110.4° | 109.9° |
| C5' | C4' | H4' | 109.9° | 109.8° |
| C4' | C5' | H5' | 109.7° | 109.5° |
| C4' | C5' | H5'' | 109.7° | 109.5° |
| C4' | C3' | N3' | 104.7° | 110.6° |
| C4' | C3' | C2' | 103.7° | 104.2° |
| C4' | C3' | H3' | 110.2° | 110.5° |
| C3' | C4' | H4' | 109.8° | 109.9° |
| N9 | C1' | C2' | 112.0° | 110.7° |
| C1' | N9 | C8 | 127.7° | 126.3° |
| N9 | C1' | H1' | 108.9° | 110.5° |
| C1' | C2' | C3' | 101.7° | 102.1° |
| C1' | C2' | O2' | 114.8° | 111.0° |
| C2' | C1' | H1' | 108.5° | 110.6° |
| C1' | C2' | H2' | 107.5° | 110.9° |
| N9 | C8 | N7 | 108.9° | 110.0° |
| N9 | C8 | H8 | 125.5° | 125.0° |
| C | N3' | C3' | 122.3° | 120.0° |
| N3' | C | O | 123.9° | 120.0° |
| C | N3' | HN3' | 118.9° | 120.0° |
| N3' | C3' | C2' | 117.1° | 110.5° |
| N3' | C3' | H3' | 110.7° | 110.4° |
| C3' | N3' | HN3' | 118.9° | 120.0° |
| C3' | C2' | O2' | 116.5° | 110.9° |
| C3' | C2' | H2' | 107.3° | 110.9° |
| C2' | C3' | H3' | 109.9° | 110.5° |
| N7 | C8 | H8 | 125.5° | 125.0° |
| O2' | C2' | H2' | 108.4° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
| H61 | N6 | H62 | 109.5° | 120.1° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG3 | CG | HG2 | 109.5° | 109.5° |
| HE1 | CE | HE2 | 109.5° | 109.4° |
| HE1 | CE | HE3 | 109.5° | 109.5° |
| HE2 | CE | HE3 | 109.5° | 109.5° |
| P | OP3 | HOP3 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CE | SD | CG | CB | 171.8° | 180.0° |
| CE | SD | CG | HG3 | 51.3° | 60.0° |
| CE | SD | CG | HG2 | 67.7° | 60.0° |
| SD | CE | HE1 | HE2 | 120.0° | 120.0° |
| SD | CE | HE1 | HE3 | 120.0° | 120.0° |
| SD | CE | HE2 | HE3 | 120.0° | 120.1° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.0° |
| C2 | N1 | C6 | N6 | 179.9° | 179.8° |
| C2 | N1 | C6 | C5 | 0.4° | 0.0° |
| N3 | C2 | N1 | C6 | 0.0° | 0.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.0° |
| C2 | N3 | C4 | N9 | 179.6° | 179.7° |
| SD | CG | CB | HG3 | 120.5° | 120.0° |
| SD | CG | CB | HG2 | 120.5° | 120.0° |
| SD | CG | CB | CA | 167.9° | 180.0° |
| SD | CG | CB | HB2 | 47.2° | 60.0° |
| SD | CG | CB | HB3 | 71.3° | 60.0° |
| SD | CG | HG3 | HG2 | 118.4° | 120.0° |
| CG | SD | CE | HE1 | 180.0° | 60.0° |
| CG | SD | CE | HE2 | 60.0° | 179.9° |
| CG | SD | CE | HE3 | 60.0° | 60.0° |
| OP1 | P | O5' | OP2 | 132.1° | 120.0° |
| OP1 | P | O5' | OP3 | 29.6° | 120.0° |
| OP1 | P | OP2 | OP3 | 51.1° | 120.0° |
| OP1 | P | O5' | C5' | 167.8° | 55.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
| OP1 | P | OP3 | HOP3 | 90.0° | 60.0° |
| N1 | C6 | N6 | C5 | 179.8° | 179.7° |
| N1 | C6 | C5 | C4 | 0.4° | 0.0° |
| N1 | C6 | C5 | N7 | 179.6° | 179.7° |
| N1 | C6 | N6 | H61 | 0.0° | 179.7° |
| N1 | C6 | N6 | H62 | 120.0° | 0.2° |
| C6 | N1 | C2 | H2 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| N3 | C4 | C5 | N9 | 179.9° | 179.8° |
| N3 | C4 | C5 | N7 | 179.9° | 179.8° |
| N3 | C4 | N9 | C1' | 0.3° | 0.2° |
| N3 | C4 | N9 | C8 | 179.9° | 179.8° |
| C4 | N3 | C2 | H2 | 179.7° | 180.0° |
| CG | CB | CA | HB2 | 120.8° | 120.0° |
| CG | CB | CA | HB3 | 120.8° | 120.0° |
| CG | CB | CA | N | 69.3° | 64.9° |
| CG | CB | CA | C | 167.0° | 175.0° |
| CG | CB | CA | HA | 49.9° | 55.0° |
| CG | CB | HB2 | HB3 | 117.6° | 120.0° |
| CB | CG | HG3 | HG2 | 118.4° | 120.0° |
| O5' | P | OP2 | OP3 | 74.3° | 120.0° |
| P | O5' | C5' | C4' | 79.4° | 180.0° |
| O5' | P | OP2 | HOP2 | 125.4° | 60.0° |
| P | O5' | C5' | H5' | 40.5° | 60.0° |
| P | O5' | C5' | H5'' | 160.8° | 60.0° |
| O5' | P | OP3 | HOP3 | 90.0° | 180.0° |
| OP2 | P | O5' | C5' | 35.7° | 65.0° |
| OP2 | P | OP3 | HOP3 | 90.0° | 60.0° |
| N6 | C6 | C5 | C4 | 179.9° | 179.8° |
| N6 | C6 | C5 | N7 | 0.2° | 0.0° |
| C6 | N6 | H61 | H62 | 120.0° | 179.9° |
| C6 | C5 | C4 | N7 | 179.9° | 179.8° |
| C6 | C5 | C4 | N9 | 179.9° | 179.8° |
| C6 | C5 | N7 | C8 | 179.8° | 180.0° |
| C5 | C6 | N6 | H61 | 179.8° | 0.1° |
| C5 | C6 | N6 | H62 | 60.2° | 180.0° |
| CB | CA | N | C | 122.1° | 120.1° |
| CB | CA | N | HA | 118.7° | 119.9° |
| CB | CA | C | HA | 117.1° | 120.0° |
| CB | CA | N | CN | 155.5° | 60.1° |
| CB | CA | C | N3' | 143.1° | 80.0° |
| CB | CA | C | O | 42.5° | 100.0° |
| CB | CA | N | HN | 24.6° | 119.9° |
| CA | CB | HB2 | HB3 | 117.6° | 120.0° |
| CA | CB | CG | HG3 | 71.5° | 60.0° |
| CA | CB | CG | HG2 | 47.4° | 60.0° |
| C5 | C4 | N9 | C1' | 179.7° | 179.9° |
| C5 | C4 | N9 | C8 | 0.2° | 0.4° |
| C4 | C5 | N7 | C8 | 0.2° | 0.2° |
| N9 | C4 | C5 | N7 | 0.0° | 0.4° |
| C4 | N9 | C1' | O4' | 116.5° | 161.2° |
| C4 | N9 | C1' | C8 | 179.9° | 179.6° |
| C4 | N9 | C1' | C2' | 127.1° | 84.6° |
| C4 | N9 | C8 | N7 | 0.4° | 0.3° |
| C4 | N9 | C1' | H1' | 7.2° | 38.2° |
| C4 | N9 | C8 | H8 | 179.6° | 179.8° |
| O5' | C5' | C4' | O4' | 90.6° | 67.2° |
| O5' | C5' | C4' | H5' | 119.9° | 120.0° |
| O5' | C5' | C4' | H5'' | 119.8° | 120.0° |
| O5' | C5' | C4' | C3' | 153.1° | 175.0° |
| O5' | C5' | C4' | H4' | 31.8° | 54.0° |
| O5' | C5' | H5' | H5'' | 120.4° | 120.0° |
| C5' | O5' | P | OP3 | 138.2° | 175.0° |
| N | CA | C | HA | 119.7° | 120.0° |
| CA | N | CN | HN | 180.0° | 180.0° |
| CA | N | CN | OCN | 179.7° | 0.0° |
| N | CA | C | N3' | 93.7° | 160.0° |
| N | CA | C | O | 80.7° | 20.0° |
| CA | N | CN | HCN | 0.3° | 180.0° |
| N | CA | CB | HB2 | 169.9° | 55.1° |
| N | CA | CB | HB3 | 51.5° | 175.0° |
| C | CA | N | CN | 82.4° | 60.0° |
| CA | C | N3' | O | 174.1° | 180.0° |
| CA | C | N3' | C3' | 168.6° | 180.0° |
| CA | C | N3' | HN3' | 11.4° | 0.0° |
| C | CA | N | HN | 97.6° | 120.0° |
| C | CA | CB | HB2 | 46.2° | 65.0° |
| C | CA | CB | HB3 | 72.3° | 55.0° |
| C5 | N7 | C8 | N9 | 0.4° | 0.0° |
| C5 | N7 | C8 | H8 | 179.6° | 179.9° |
| N | CN | OCN | HCN | 180.0° | 180.0° |
| CN | N | CA | HA | 36.8° | 180.0° |
| OCN | CN | N | HN | 0.2° | 180.0° |
| O4' | C4' | C5' | C3' | 116.4° | 117.8° |
| O4' | C4' | C5' | H4' | 122.3° | 121.1° |
| O4' | C4' | C3' | H4' | 120.0° | 119.6° |
| C4' | O4' | C1' | N9 | 169.5° | 158.6° |
| C4' | O4' | C1' | C2' | 47.8° | 40.0° |
| O4' | C4' | C3' | N3' | 132.8° | 120.7° |
| O4' | C4' | C3' | C2' | 9.5° | 2.1° |
| C4' | O4' | C1' | H1' | 67.4° | 78.6° |
| O4' | C4' | C3' | H3' | 108.2° | 116.7° |
| O4' | C4' | C5' | H5' | 29.3° | 172.9° |
| O4' | C4' | C5' | H5'' | 149.6° | 52.9° |
| C1' | O4' | C4' | C5' | 155.0° | 145.9° |
| C1' | O4' | C4' | C3' | 35.8° | 26.5° |
| O4' | C1' | N9 | C2' | 116.4° | 114.2° |
| O4' | C1' | N9 | H1' | 123.7° | 123.0° |
| O4' | C1' | C2' | H1' | 116.1° | 118.6° |
| O4' | C1' | N9 | C8 | 63.7° | 19.2° |
| O4' | C1' | C2' | C3' | 40.2° | 37.0° |
| O4' | C1' | C2' | O2' | 166.9° | 155.2° |
| O4' | C1' | C2' | H2' | 72.4° | 81.2° |
| C1' | O4' | C4' | H4' | 83.4° | 93.0° |
| C5' | C4' | C3' | H4' | 121.3° | 121.0° |
| C5' | C4' | C3' | N3' | 108.5° | 119.8° |
| C5' | C4' | C3' | C2' | 128.1° | 121.5° |
| C5' | C4' | C3' | H3' | 10.5° | 2.7° |
| C4' | C5' | H5' | H5'' | 120.4° | 120.0° |
| C4' | C3' | C2' | C1' | 18.2° | 20.8° |
| C4' | C3' | N3' | C | 94.9° | 158.7° |
| C4' | C3' | N3' | C2' | 114.2° | 114.8° |
| C4' | C3' | N3' | H3' | 118.7° | 122.6° |
| C4' | C3' | C2' | H3' | 117.8° | 118.7° |
| C4' | C3' | C2' | O2' | 143.8° | 139.1° |
| C4' | C3' | C2' | H2' | 94.6° | 97.3° |
| C4' | C3' | N3' | HN3' | 85.1° | 21.3° |
| C3' | C4' | C5' | H5' | 87.1° | 55.0° |
| C3' | C4' | C5' | H5'' | 33.2° | 65.0° |
| N9 | C1' | C2' | H1' | 120.2° | 122.8° |
| N9 | C1' | C2' | C3' | 164.0° | 155.5° |
| C1' | N9 | C8 | N7 | 179.5° | 180.0° |
| N9 | C1' | C2' | O2' | 69.4° | 86.3° |
| N9 | C1' | C2' | H2' | 51.3° | 37.3° |
| C1' | N9 | C8 | H8 | 0.5° | 0.1° |
| C2' | C1' | N9 | C8 | 52.7° | 94.9° |
| C1' | C2' | C3' | N3' | 96.5° | 97.9° |
| C1' | C2' | C3' | O2' | 125.6° | 118.3° |
| C1' | C2' | C3' | H2' | 112.8° | 118.2° |
| C1' | C2' | O2' | H2' | 120.2° | 123.6° |
| C1' | C2' | O2' | HO2' | 180.0° | 61.4° |
| C1' | C2' | C3' | H3' | 135.9° | 139.5° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| C8 | N9 | C1' | H1' | 172.7° | 142.2° |
| C | N3' | C3' | HN3' | 180.0° | 180.0° |
| C | N3' | C3' | C2' | 150.9° | 86.5° |
| C | N3' | C3' | H3' | 23.8° | 36.1° |
| N3' | C | CA | HA | 26.0° | 40.0° |
| C3' | N3' | C | O | 17.3° | 0.0° |
| N3' | C3' | C2' | H3' | 127.5° | 122.5° |
| N3' | C3' | C2' | O2' | 29.0° | 20.3° |
| N3' | C3' | C2' | H2' | 150.7° | 143.9° |
| N3' | C3' | C4' | H4' | 12.8° | 1.2° |
| O | C | N3' | HN3' | 162.7° | 180.0° |
| O | C | CA | HA | 159.6° | 140.0° |
| C3' | C2' | O2' | H2' | 121.1° | 123.6° |
| C3' | C2' | C1' | H1' | 75.9° | 81.7° |
| C3' | C2' | O2' | HO2' | 61.2° | 174.2° |
| C2' | C3' | N3' | HN3' | 29.1° | 93.5° |
| C2' | C3' | C4' | H4' | 110.5° | 117.5° |
| O2' | C2' | C1' | H1' | 50.8° | 36.6° |
| O2' | C2' | C3' | H3' | 98.5° | 102.2° |
| HOP2 | OP2 | P | OP3 | 51.1° | 60.0° |
| H1' | C1' | C2' | H2' | 171.5° | 160.2° |
| H2' | C2' | O2' | HO2' | 59.8° | 62.2° |
| H2' | C2' | C3' | H3' | 23.1° | 21.4° |
| H3' | C3' | N3' | HN3' | 156.2° | 143.9° |
| H3' | C3' | C4' | H4' | 131.8° | 123.7° |
| H4' | C4' | C5' | H5' | 151.6° | 66.0° |
| H4' | C4' | C5' | H5'' | 88.1° | 174.0° |
| HA | CA | N | HN | 143.2° | 0.0° |
| HA | CA | CB | HB2 | 70.9° | 175.0° |
| HA | CA | CB | HB3 | 170.7° | 65.1° |
| HN | N | CN | HCN | 179.7° | 0.0° |
| HB2 | CB | CG | HG3 | 167.7° | 180.0° |
| HB2 | CB | CG | HG2 | 73.3° | 60.0° |
| HB3 | CB | CG | HG3 | 49.2° | 60.0° |
| HB3 | CB | CG | HG2 | 168.2° | 180.0° |
| HE1 | CE | HE2 | HE3 | 120.0° | 120.0° |
