4EN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1P | P | doub | 1.48Å | 1.48Å | |
| P | O2P | sing | 1.61Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.54Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C3' | sing | 1.55Å | 1.54Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C1' | N8 | sing | 1.46Å | 1.46Å | |
| N9 | N8 | sing | 1.40Å | 1.37Å | Aromatic |
| N9 | C4 | doub | 1.32Å | 1.39Å | Aromatic |
| N8 | C7 | sing | 1.34Å | 1.36Å | Aromatic |
| N3 | C4 | sing | 1.35Å | 1.35Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.47Å | 1.34Å | Aromatic |
| C7 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.46Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.33Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.30Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C7 | H7 | 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 | |
| P | OP3 | sing | 1.61Å | 40.77Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 118.9° | 109.5° |
| O1P | P | O5' | 109.5° | 109.5° |
| O1P | P | OP3 | 77.2° | 109.4° |
| O2P | P | O5' | 107.0° | 109.5° |
| P | O2P | HOP2 | 109.5° | 114.0° |
| O2P | P | OP3 | 53.2° | 109.5° |
| P | O5' | C5' | 122.7° | 123.0° |
| O5' | P | OP3 | 157.5° | 109.5° |
| O5' | C5' | C4' | 110.2° | 109.5° |
| O5' | C5' | H5'2 | 109.3° | 109.4° |
| O5' | C5' | H5'1 | 109.3° | 109.5° |
| C5' | C4' | O4' | 108.8° | 110.6° |
| C5' | C4' | C3' | 113.4° | 110.6° |
| C4' | C5' | H5'2 | 109.3° | 109.5° |
| C4' | C5' | H5'1 | 109.3° | 109.5° |
| C5' | C4' | H4' | 107.6° | 110.5° |
| O4' | C4' | C3' | 110.3° | 103.5° |
| C4' | O4' | C1' | 108.6° | 107.0° |
| O4' | C4' | H4' | 109.1° | 110.6° |
| C4' | C3' | O3' | 108.3° | 110.9° |
| C4' | C3' | C2' | 100.9° | 102.1° |
| C3' | C4' | H4' | 107.5° | 110.8° |
| C4' | C3' | H3' | 109.5° | 110.9° |
| O4' | C1' | C2' | 105.7° | 107.3° |
| O4' | C1' | N8 | 108.9° | 109.9° |
| O4' | C1' | H1' | 110.4° | 109.9° |
| O3' | C3' | C2' | 117.0° | 110.9° |
| O3' | C3' | H3' | 111.0° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C2' | C1' | 104.2° | 104.2° |
| C2' | C3' | H3' | 109.6° | 110.9° |
| C3' | C2' | H2'1 | 110.8° | 110.5° |
| C3' | C2' | H2'2 | 110.8° | 110.5° |
| C2' | C1' | N8 | 113.4° | 109.9° |
| C1' | C2' | H2'1 | 110.8° | 110.5° |
| C1' | C2' | H2'2 | 110.8° | 110.5° |
| C2' | C1' | H1' | 108.8° | 109.9° |
| C1' | N8 | N9 | 122.9° | 125.1° |
| C1' | N8 | C7 | 124.8° | 125.0° |
| N8 | C1' | H1' | 109.6° | 110.1° |
| N8 | N9 | C4 | 106.0° | 109.1° |
| N9 | N8 | C7 | 112.2° | 109.9° |
| N9 | C4 | N3 | 126.1° | 135.8° |
| N9 | C4 | C5 | 107.6° | 106.6° |
| N8 | C7 | C5 | 103.4° | 107.8° |
| N8 | C7 | H7 | 128.3° | 126.1° |
| C4 | N3 | C2 | 110.3° | 120.9° |
| N3 | C4 | C5 | 126.3° | 117.7° |
| N3 | C2 | N1 | 128.7° | 124.6° |
| N3 | C2 | H2 | 115.7° | 117.7° |
| C4 | C5 | C7 | 110.7° | 106.6° |
| C4 | C5 | C6 | 118.4° | 117.3° |
| C7 | C5 | C6 | 130.9° | 136.1° |
| C5 | C7 | H7 | 128.3° | 126.1° |
| C5 | C6 | N1 | 117.7° | 117.5° |
| C5 | C6 | N6 | 127.5° | 121.3° |
| C2 | N1 | C6 | 118.6° | 122.0° |
| N1 | C2 | H2 | 115.7° | 117.7° |
| N1 | C6 | N6 | 114.8° | 121.2° |
| C6 | N6 | H61 | 109.5° | 120.0° |
| C6 | N6 | H62 | 109.4° | 120.0° |
| H5'2 | C5' | H5'1 | 109.5° | 109.4° |
| H2'1 | C2' | H2'2 | 109.5° | 110.5° |
| H61 | N6 | H62 | 109.4° | 120.0° |
| P | OP3 | HOP3 | 90.0° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O5' | 124.6° | 120.0° |
| O1P | P | O2P | OP3 | 43.3° | 119.9° |
| O1P | P | O5' | OP3 | 104.0° | 119.9° |
| O1P | P | O5' | C5' | 48.6° | 55.0° |
| O1P | P | O2P | HOP2 | 0.0° | 179.9° |
| O1P | P | OP3 | HOP3 | 90.0° | 60.1° |
| O2P | P | O5' | OP3 | 26.0° | 120.0° |
| O2P | P | O5' | C5' | 178.7° | 65.0° |
| O2P | P | OP3 | HOP3 | 90.0° | 59.9° |
| P | O5' | C5' | C4' | 172.3° | 180.0° |
| O5' | P | O2P | HOP2 | 124.6° | 60.0° |
| P | O5' | C5' | H5'2 | 67.6° | 60.0° |
| P | O5' | C5' | H5'1 | 52.2° | 59.9° |
| O5' | P | OP3 | HOP3 | 90.0° | 180.0° |
| O5' | C5' | C4' | H5'2 | 120.1° | 120.0° |
| O5' | C5' | C4' | H5'1 | 120.1° | 120.1° |
| O5' | C5' | C4' | O4' | 72.1° | 66.4° |
| O5' | C5' | C4' | C3' | 51.1° | 179.5° |
| O5' | C5' | H5'2 | H5'1 | 119.6° | 120.0° |
| O5' | C5' | C4' | H4' | 169.8° | 56.4° |
| C5' | O5' | P | OP3 | 152.7° | 175.0° |
| C5' | C4' | O4' | C3' | 125.0° | 118.5° |
| C5' | C4' | O4' | H4' | 117.1° | 122.8° |
| C5' | C4' | C3' | H4' | 118.8° | 122.9° |
| C5' | C4' | O4' | C1' | 133.6° | 158.6° |
| C5' | C4' | C3' | O3' | 126.2° | 86.3° |
| C5' | C4' | C3' | C2' | 110.4° | 155.5° |
| C4' | C5' | H5'2 | H5'1 | 119.7° | 120.0° |
| C5' | C4' | C3' | H3' | 5.1° | 37.4° |
| O4' | C4' | C3' | H4' | 118.9° | 118.6° |
| O4' | C4' | C3' | O3' | 111.5° | 155.2° |
| O4' | C4' | C3' | C2' | 11.9° | 37.0° |
| C4' | O4' | C1' | C2' | 25.7° | 26.5° |
| C4' | O4' | C1' | N8 | 147.8° | 145.9° |
| O4' | C4' | C5' | H5'2 | 167.8° | 53.6° |
| O4' | C4' | C5' | H5'1 | 48.0° | 173.5° |
| O4' | C4' | C3' | H3' | 127.4° | 81.2° |
| C4' | O4' | C1' | H1' | 91.8° | 92.9° |
| C3' | C4' | O4' | C1' | 8.6° | 40.1° |
| C4' | C3' | O3' | C2' | 113.1° | 112.7° |
| C4' | C3' | O3' | H3' | 120.2° | 123.7° |
| C4' | C3' | C2' | H3' | 115.4° | 118.2° |
| C4' | C3' | C2' | C1' | 26.1° | 20.9° |
| C3' | C4' | C5' | H5'2 | 69.0° | 60.5° |
| C3' | C4' | C5' | H5'1 | 171.1° | 59.4° |
| C4' | C3' | C2' | H2'1 | 93.1° | 139.6° |
| C4' | C3' | C2' | H2'2 | 145.2° | 97.8° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| O4' | C1' | C2' | C3' | 32.9° | 2.0° |
| O4' | C1' | C2' | N8 | 119.3° | 119.4° |
| O4' | C1' | C2' | H1' | 118.5° | 119.4° |
| O4' | C1' | N8 | H1' | 120.9° | 121.1° |
| O4' | C1' | N8 | N9 | 78.4° | 62.5° |
| O4' | C1' | N8 | C7 | 98.3° | 117.2° |
| C1' | O4' | C4' | H4' | 109.3° | 78.6° |
| O4' | C1' | C2' | H2'1 | 86.3° | 116.7° |
| O4' | C1' | C2' | H2'2 | 152.1° | 120.8° |
| O3' | C3' | C2' | H3' | 127.4° | 123.6° |
| O3' | C3' | C2' | C1' | 91.1° | 139.1° |
| O3' | C3' | C4' | H4' | 7.4° | 36.6° |
| O3' | C3' | C2' | H2'1 | 149.7° | 102.2° |
| O3' | C3' | C2' | H2'2 | 28.0° | 20.4° |
| C3' | C2' | C1' | H2'1 | 119.2° | 118.8° |
| C3' | C2' | C1' | H2'2 | 119.2° | 118.7° |
| C3' | C2' | C1' | N8 | 152.2° | 121.4° |
| C2' | C3' | C4' | H4' | 130.8° | 81.5° |
| C3' | C2' | H2'1 | H2'2 | 122.4° | 122.6° |
| C2' | C3' | O3' | HO3' | 66.9° | 67.3° |
| C3' | C2' | C1' | H1' | 85.6° | 117.3° |
| C2' | C1' | N8 | H1' | 121.7° | 121.1° |
| C2' | C1' | N8 | N9 | 39.0° | 55.3° |
| C2' | C1' | N8 | C7 | 144.3° | 125.0° |
| C1' | C2' | C3' | H3' | 141.4° | 97.3° |
| C1' | C2' | H2'1 | H2'2 | 122.4° | 122.5° |
| C1' | N8 | N9 | C7 | 177.1° | 179.7° |
| C1' | N8 | N9 | C4 | 176.1° | 180.0° |
| C1' | N8 | C7 | C5 | 174.9° | 180.0° |
| N8 | C1' | C2' | H2'1 | 33.0° | 2.7° |
| N8 | C1' | C2' | H2'2 | 88.7° | 119.9° |
| C1' | N8 | C7 | H7 | 5.1° | 0.0° |
| N8 | N9 | C4 | N3 | 178.4° | 180.0° |
| N8 | N9 | C4 | C5 | 0.7° | 0.2° |
| N9 | N8 | C7 | C5 | 2.1° | 0.2° |
| N9 | N8 | C1' | H1' | 160.7° | 176.4° |
| N9 | N8 | C7 | H7 | 178.0° | 179.7° |
| C4 | N9 | N8 | C7 | 0.9° | 0.3° |
| N9 | C4 | N3 | C5 | 177.3° | 179.8° |
| N9 | C4 | N3 | C2 | 178.7° | 179.8° |
| N9 | C4 | C5 | C7 | 2.1° | 0.0° |
| N9 | C4 | C5 | C6 | 179.1° | 179.9° |
| N8 | C7 | C5 | C4 | 2.5° | 0.1° |
| N8 | C7 | C5 | H7 | 180.0° | 179.9° |
| N8 | C7 | C5 | C6 | 178.8° | 180.0° |
| C7 | N8 | C1' | H1' | 22.6° | 3.9° |
| N3 | C4 | C5 | C7 | 179.8° | 179.9° |
| N3 | C4 | C5 | C6 | 1.4° | 0.0° |
| C4 | N3 | C2 | N1 | 0.9° | 0.6° |
| C4 | N3 | C2 | H2 | 179.1° | 179.8° |
| C2 | N3 | C4 | C5 | 1.4° | 0.4° |
| N3 | C2 | N1 | H2 | 180.0° | 179.6° |
| N3 | C2 | N1 | C6 | 0.4° | 0.4° |
| C4 | C5 | C7 | C6 | 178.6° | 179.9° |
| C4 | C5 | C6 | N1 | 0.7° | 0.1° |
| C4 | C5 | C6 | N6 | 179.6° | 179.8° |
| C4 | C5 | C7 | H7 | 177.5° | 179.8° |
| C7 | C5 | C6 | N1 | 179.2° | 180.0° |
| C7 | C5 | C6 | N6 | 1.8° | 0.0° |
| C5 | C6 | N1 | C2 | 0.2° | 0.1° |
| C5 | C6 | N1 | N6 | 179.1° | 180.0° |
| C6 | C5 | C7 | H7 | 1.1° | 0.1° |
| C5 | C6 | N6 | H61 | 179.0° | 0.0° |
| C5 | C6 | N6 | H62 | 61.0° | 179.9° |
| C2 | N1 | C6 | N6 | 179.3° | 180.0° |
| N1 | C6 | N6 | H61 | 0.0° | 179.9° |
| N1 | C6 | N6 | H62 | 120.0° | 0.0° |
| C6 | N1 | C2 | H2 | 179.6° | 180.0° |
| C6 | N6 | H61 | H62 | 120.0° | 179.9° |
| HOP2 | O2P | P | OP3 | 43.4° | 60.0° |
| H5'2 | C5' | C4' | H4' | 49.7° | 176.4° |
| H5'1 | C5' | C4' | H4' | 70.1° | 63.6° |
| H4' | C4' | C3' | H3' | 113.7° | 160.3° |
| H3' | C3' | C2' | H2'1 | 22.3° | 21.4° |
| H3' | C3' | C2' | H2'2 | 99.4° | 144.0° |
| H3' | C3' | O3' | HO3' | 59.9° | 56.4° |
| H2'1 | C2' | C1' | H1' | 155.2° | 123.9° |
| H2'2 | C2' | C1' | H1' | 33.5° | 1.4° |
