BLS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C6' | sing | 1.34Å | 1.16Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| N1 | C2 | sing | 1.35Å | 1.44Å | Aromatic |
| N1 | C6 | sing | 1.36Å | 1.38Å | Aromatic |
| N1 | C1' | sing | 1.46Å | 1.49Å | |
| C2 | O2 | doub | 1.22Å | 1.19Å | |
| C2 | N3 | sing | 1.33Å | 1.41Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | N4 | sing | 1.37Å | 1.38Å | |
| C4 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| N4 | HN41 | sing | 0.97Å | 1.00Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | doub | 1.35Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1' | C2' | sing | 1.50Å | 1.46Å | |
| C1' | O5' | sing | 1.43Å | 1.51Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | doub | 1.30Å | 1.41Å | |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C3' | C4' | sing | 1.51Å | 1.58Å | |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C4' | C5' | sing | 1.53Å | 1.44Å | |
| C4' | N6 | sing | 1.47Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.49Å | |
| C5' | C6' | sing | 1.51Å | 1.56Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| O3 | C6' | doub | 1.21Å | 1.34Å | |
| N6 | C7 | sing | 1.35Å | 1.36Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C7 | O7 | doub | 1.21Å | 1.24Å | |
| C7 | C8 | sing | 1.51Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | N9 | sing | 1.47Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.40Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N9 | HN91 | sing | 1.01Å | 1.00Å | |
| N9 | HN92 | sing | 1.01Å | 1.00Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | N12 | sing | 1.47Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| N12 | C13 | sing | 1.46Å | 1.46Å | |
| N12 | C14 | sing | 1.37Å | 1.32Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | N14 | doub | 1.30Å | 1.40Å | |
| C14 | N15 | sing | 1.38Å | 1.33Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N15 | H152 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6' | O4 | HO4 | 109.5° | 120.0° |
| O4 | C6' | C5' | 122.0° | 120.0° |
| O4 | C6' | O3 | 130.0° | 120.0° |
| C2 | N1 | C6 | 121.1° | 120.4° |
| C2 | N1 | C1' | 119.7° | 119.8° |
| N1 | C2 | O2 | 123.9° | 119.5° |
| N1 | C2 | N3 | 118.9° | 121.1° |
| C6 | N1 | C1' | 119.2° | 119.9° |
| N1 | C6 | C5 | 118.0° | 119.3° |
| N1 | C6 | H6 | 121.0° | 120.4° |
| N1 | C1' | C2' | 112.2° | 109.3° |
| N1 | C1' | O5' | 105.6° | 109.2° |
| N1 | C1' | H1' | 110.7° | 109.2° |
| O2 | C2 | N3 | 117.1° | 119.5° |
| C2 | N3 | C4 | 119.2° | 120.7° |
| N3 | C4 | N4 | 116.9° | 120.2° |
| N3 | C4 | C5 | 121.6° | 119.6° |
| N4 | C4 | C5 | 121.4° | 120.2° |
| C4 | N4 | HN41 | 125.5° | 120.0° |
| C4 | N4 | HN42 | 109.0° | 120.0° |
| C4 | C5 | C6 | 121.1° | 119.0° |
| C4 | C5 | H5 | 119.4° | 120.5° |
| HN41 | N4 | HN42 | 125.5° | 120.0° |
| C6 | C5 | H5 | 119.5° | 120.5° |
| C5 | C6 | H6 | 121.0° | 120.3° |
| C2' | C1' | O5' | 110.7° | 110.8° |
| C2' | C1' | H1' | 105.6° | 109.2° |
| C1' | C2' | C3' | 121.9° | 122.3° |
| C1' | C2' | H2' | 119.1° | 118.8° |
| O5' | C1' | H1' | 112.2° | 109.2° |
| C1' | O5' | C5' | 110.3° | 107.1° |
| C3' | C2' | H2' | 119.0° | 118.8° |
| C2' | C3' | C4' | 115.7° | 121.0° |
| C2' | C3' | H3' | 122.2° | 119.4° |
| C4' | C3' | H3' | 122.2° | 119.5° |
| C3' | C4' | C5' | 118.9° | 109.1° |
| C3' | C4' | N6 | 110.7° | 109.5° |
| C3' | C4' | H4' | 102.2° | 109.6° |
| C5' | C4' | N6 | 111.4° | 109.5° |
| C5' | C4' | H4' | 101.4° | 109.6° |
| C4' | C5' | O5' | 107.2° | 108.6° |
| C4' | C5' | C6' | 114.4° | 109.9° |
| C4' | C5' | H5' | 106.7° | 109.5° |
| N6 | C4' | H4' | 111.4° | 109.5° |
| C4' | N6 | C7 | 128.3° | 120.0° |
| C4' | N6 | HN6 | 115.8° | 120.0° |
| O5' | C5' | C6' | 106.1° | 109.6° |
| O5' | C5' | H5' | 114.9° | 109.6° |
| C6' | C5' | H5' | 107.7° | 109.6° |
| C5' | C6' | O3 | 108.0° | 120.0° |
| C7 | N6 | HN6 | 115.8° | 120.0° |
| N6 | C7 | O7 | 117.7° | 120.0° |
| N6 | C7 | C8 | 110.9° | 120.0° |
| O7 | C7 | C8 | 131.3° | 120.1° |
| C7 | C8 | C9 | 111.2° | 109.4° |
| C7 | C8 | H81 | 108.5° | 109.5° |
| C7 | C8 | H82 | 108.9° | 109.5° |
| C9 | C8 | H81 | 108.5° | 109.4° |
| C9 | C8 | H82 | 108.9° | 109.4° |
| C8 | C9 | N9 | 116.4° | 109.5° |
| C8 | C9 | C10 | 109.1° | 109.5° |
| C8 | C9 | H9 | 103.6° | 109.5° |
| H81 | C8 | H82 | 110.8° | 109.5° |
| N9 | C9 | C10 | 104.9° | 109.5° |
| N9 | C9 | H9 | 107.8° | 109.5° |
| C9 | N9 | HN91 | 109.5° | 106.7° |
| C9 | N9 | HN92 | 109.5° | 106.7° |
| C10 | C9 | H9 | 115.3° | 109.4° |
| C9 | C10 | C11 | 115.5° | 109.5° |
| C9 | C10 | H101 | 106.1° | 109.5° |
| C9 | C10 | H102 | 107.5° | 109.5° |
| HN91 | N9 | HN92 | 109.5° | 106.7° |
| C11 | C10 | H101 | 106.1° | 109.5° |
| C11 | C10 | H102 | 107.5° | 109.5° |
| C10 | C11 | N12 | 109.1° | 109.5° |
| C10 | C11 | H111 | 109.7° | 109.5° |
| C10 | C11 | H112 | 109.6° | 109.5° |
| H101 | C10 | H102 | 114.3° | 109.4° |
| N12 | C11 | H111 | 109.7° | 109.4° |
| N12 | C11 | H112 | 109.6° | 109.5° |
| C11 | N12 | C13 | 115.3° | 120.0° |
| C11 | N12 | C14 | 121.5° | 120.0° |
| H111 | C11 | H112 | 109.2° | 109.5° |
| C13 | N12 | C14 | 123.2° | 120.0° |
| N12 | C13 | H131 | 109.4° | 109.5° |
| N12 | C13 | H132 | 109.5° | 109.4° |
| N12 | C13 | H133 | 109.5° | 109.5° |
| N12 | C14 | N14 | 114.5° | 120.0° |
| N12 | C14 | N15 | 127.6° | 120.0° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| N14 | C14 | N15 | 116.4° | 120.0° |
| C14 | N14 | HN14 | 109.0° | 120.0° |
| C14 | N15 | H151 | 125.3° | 120.0° |
| C14 | N15 | H152 | 109.4° | 120.0° |
| H151 | N15 | H152 | 125.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C6' | C5' | C4' | 76.1° | 65.7° |
| O4 | C6' | C5' | O5' | 41.9° | 175.0° |
| O4 | C6' | C5' | O3 | 179.6° | 180.0° |
| O4 | C6' | C5' | H5' | 165.4° | 54.7° |
| HO4 | O4 | C6' | C5' | 179.5° | 180.0° |
| HO4 | O4 | C6' | O3 | 0.0° | 0.0° |
| C2 | N1 | C6 | C1' | 178.9° | 179.8° |
| N1 | C2 | O2 | N3 | 179.1° | 179.5° |
| N1 | C2 | N3 | C4 | 1.4° | 0.6° |
| C2 | N1 | C6 | C5 | 0.2° | 0.3° |
| C2 | N1 | C6 | H6 | 179.7° | 179.8° |
| C2 | N1 | C1' | C2' | 80.7° | 65.3° |
| C2 | N1 | C1' | O5' | 158.6° | 56.1° |
| C2 | N1 | C1' | H1' | 37.0° | 175.4° |
| C6 | N1 | C2 | O2 | 177.7° | 180.0° |
| C6 | N1 | C2 | N3 | 1.4° | 0.6° |
| N1 | C6 | C5 | C4 | 1.8° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | H5 | 178.2° | 180.0° |
| C6 | N1 | C1' | C2' | 100.4° | 115.0° |
| C6 | N1 | C1' | O5' | 20.3° | 123.7° |
| C6 | N1 | C1' | H1' | 142.0° | 4.4° |
| C1' | N1 | C2 | O2 | 3.4° | 0.2° |
| C1' | N1 | C2 | N3 | 177.5° | 179.7° |
| C1' | N1 | C6 | C5 | 179.2° | 179.9° |
| C1' | N1 | C6 | H6 | 0.8° | 0.0° |
| N1 | C1' | C2' | O5' | 117.6° | 120.4° |
| N1 | C1' | C2' | H1' | 120.7° | 119.4° |
| N1 | C1' | O5' | H1' | 120.7° | 119.3° |
| N1 | C1' | C2' | C3' | 143.3° | 141.2° |
| N1 | C1' | C2' | H2' | 36.6° | 38.7° |
| N1 | C1' | O5' | C5' | 177.9° | 177.1° |
| O2 | C2 | N3 | C4 | 177.7° | 180.0° |
| C2 | N3 | C4 | N4 | 178.7° | 179.7° |
| C2 | N3 | C4 | C5 | 0.1° | 0.3° |
| N3 | C4 | N4 | C5 | 178.5° | 180.0° |
| N3 | C4 | N4 | HN41 | 0.0° | 180.0° |
| N3 | C4 | N4 | HN42 | 180.0° | 0.0° |
| N3 | C4 | C5 | C6 | 1.8° | 0.0° |
| N3 | C4 | C5 | H5 | 178.2° | 180.0° |
| C4 | N4 | HN41 | HN42 | 180.0° | 180.0° |
| N4 | C4 | C5 | C6 | 179.7° | 180.0° |
| N4 | C4 | C5 | H5 | 0.3° | 0.0° |
| C5 | C4 | N4 | HN41 | 178.6° | 0.0° |
| C5 | C4 | N4 | HN42 | 1.5° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 178.2° | 180.0° |
| H5 | C5 | C6 | H6 | 1.8° | 0.1° |
| C2' | C1' | O5' | H1' | 117.7° | 120.3° |
| C1' | C2' | C3' | H2' | 180.0° | 179.9° |
| C1' | C2' | C3' | C4' | 0.5° | 0.0° |
| C1' | C2' | C3' | H3' | 179.5° | 180.0° |
| C2' | C1' | O5' | C5' | 60.5° | 56.7° |
| O5' | C1' | C2' | C3' | 25.7° | 20.8° |
| O5' | C1' | C2' | H2' | 154.3° | 159.1° |
| C1' | O5' | C5' | C4' | 66.4° | 73.6° |
| C1' | O5' | C5' | C6' | 170.9° | 166.4° |
| C1' | O5' | C5' | H5' | 52.0° | 46.0° |
| H1' | C1' | C2' | C3' | 96.0° | 99.5° |
| H1' | C1' | C2' | H2' | 84.0° | 80.6° |
| H1' | C1' | O5' | C5' | 57.2° | 63.6° |
| C2' | C3' | C4' | H3' | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 6.8° | 14.5° |
| C2' | C3' | C4' | N6 | 137.6° | 134.3° |
| C2' | C3' | C4' | H4' | 103.7° | 105.5° |
| H2' | C2' | C3' | C4' | 179.5° | 179.8° |
| H2' | C2' | C3' | H3' | 0.4° | 0.1° |
| C3' | C4' | C5' | N6 | 130.5° | 119.9° |
| C3' | C4' | C5' | H4' | 110.9° | 120.0° |
| C3' | C4' | N6 | H4' | 113.0° | 120.2° |
| C3' | C4' | C5' | O5' | 38.9° | 50.4° |
| C3' | C4' | C5' | C6' | 156.3° | 170.3° |
| C3' | C4' | C5' | H5' | 84.6° | 69.2° |
| C3' | C4' | N6 | C7 | 94.4° | 85.2° |
| C3' | C4' | N6 | HN6 | 85.6° | 94.8° |
| H3' | C3' | C4' | C5' | 173.2° | 165.6° |
| H3' | C3' | C4' | N6 | 42.4° | 45.7° |
| H3' | C3' | C4' | H4' | 76.4° | 74.5° |
| C5' | C4' | N6 | H4' | 112.4° | 120.2° |
| C4' | C5' | O5' | C6' | 122.7° | 120.1° |
| C4' | C5' | O5' | H5' | 118.4° | 119.6° |
| C4' | C5' | C6' | H5' | 118.5° | 120.4° |
| C4' | C5' | C6' | O3 | 103.5° | 114.3° |
| C5' | C4' | N6 | C7 | 130.9° | 155.2° |
| C5' | C4' | N6 | HN6 | 49.0° | 24.8° |
| N6 | C4' | C5' | O5' | 169.5° | 170.3° |
| N6 | C4' | C5' | C6' | 73.2° | 69.8° |
| N6 | C4' | C5' | H5' | 45.9° | 50.7° |
| C4' | N6 | C7 | HN6 | 180.0° | 180.0° |
| C4' | N6 | C7 | O7 | 0.1° | 0.0° |
| C4' | N6 | C7 | C8 | 178.3° | 180.0° |
| H4' | C4' | C5' | O5' | 72.0° | 69.5° |
| H4' | C4' | C5' | C6' | 45.4° | 50.4° |
| H4' | C4' | C5' | H5' | 164.4° | 170.8° |
| H4' | C4' | N6 | C7 | 18.6° | 35.0° |
| H4' | C4' | N6 | HN6 | 161.4° | 145.0° |
| O5' | C5' | C6' | H5' | 123.6° | 120.3° |
| O5' | C5' | C6' | O3 | 138.5° | 5.0° |
| H5' | C5' | C6' | O3 | 14.9° | 125.3° |
| N6 | C7 | O7 | C8 | 177.7° | 180.0° |
| N6 | C7 | C8 | C9 | 79.3° | 180.0° |
| N6 | C7 | C8 | H81 | 161.4° | 60.1° |
| N6 | C7 | C8 | H82 | 40.7° | 60.0° |
| HN6 | N6 | C7 | O7 | 179.9° | 180.0° |
| HN6 | N6 | C7 | C8 | 1.7° | 0.0° |
| O7 | C7 | C8 | C9 | 98.5° | 0.0° |
| O7 | C7 | C8 | H81 | 20.8° | 120.0° |
| O7 | C7 | C8 | H82 | 141.5° | 119.9° |
| C7 | C8 | C9 | H81 | 119.3° | 120.0° |
| C7 | C8 | C9 | H82 | 120.0° | 120.0° |
| C7 | C8 | H81 | H82 | 119.5° | 120.1° |
| C7 | C8 | C9 | N9 | 179.0° | 65.1° |
| C7 | C8 | C9 | C10 | 60.6° | 175.0° |
| C7 | C8 | C9 | H9 | 62.8° | 55.0° |
| C9 | C8 | H81 | H82 | 119.5° | 120.0° |
| C8 | C9 | N9 | C10 | 120.7° | 120.0° |
| C8 | C9 | N9 | H9 | 115.9° | 120.1° |
| C8 | C9 | C10 | H9 | 116.1° | 120.0° |
| C8 | C9 | N9 | HN91 | 170.7° | 53.8° |
| C8 | C9 | N9 | HN92 | 50.7° | 60.0° |
| C8 | C9 | C10 | C11 | 122.9° | 175.0° |
| C8 | C9 | C10 | H101 | 5.7° | 55.0° |
| C8 | C9 | C10 | H102 | 117.1° | 65.0° |
| H81 | C8 | C9 | N9 | 59.8° | 175.0° |
| H81 | C8 | C9 | C10 | 58.7° | 55.0° |
| H81 | C8 | C9 | H9 | 178.0° | 65.0° |
| H82 | C8 | C9 | N9 | 61.0° | 55.0° |
| H82 | C8 | C9 | C10 | 179.4° | 65.0° |
| H82 | C8 | C9 | H9 | 57.2° | 175.0° |
| N9 | C9 | C10 | H9 | 118.5° | 120.0° |
| C9 | N9 | HN91 | HN92 | 120.0° | 113.8° |
| N9 | C9 | C10 | C11 | 111.6° | 65.0° |
| N9 | C9 | C10 | H101 | 131.1° | 175.0° |
| N9 | C9 | C10 | H102 | 8.4° | 55.0° |
| C10 | C9 | N9 | HN91 | 50.0° | 173.8° |
| C10 | C9 | N9 | HN92 | 70.0° | 60.0° |
| C9 | C10 | C11 | H101 | 117.3° | 120.0° |
| C9 | C10 | C11 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H102 | 118.3° | 120.0° |
| C9 | C10 | C11 | N12 | 173.3° | 180.0° |
| C9 | C10 | C11 | H111 | 53.2° | 60.0° |
| C9 | C10 | C11 | H112 | 66.7° | 60.0° |
| H9 | C9 | N9 | HN91 | 73.4° | 66.2° |
| H9 | C9 | N9 | HN92 | 166.5° | 180.0° |
| H9 | C9 | C10 | C11 | 6.9° | 55.0° |
| H9 | C9 | C10 | H101 | 110.4° | 65.0° |
| H9 | C9 | C10 | H102 | 126.9° | 175.0° |
| C11 | C10 | H101 | H102 | 118.3° | 120.0° |
| C10 | C11 | N12 | H111 | 120.2° | 120.0° |
| C10 | C11 | N12 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 120.1° | 120.0° |
| C10 | C11 | N12 | C13 | 82.5° | 90.0° |
| C10 | C11 | N12 | C14 | 96.8° | 90.0° |
| H101 | C10 | C11 | N12 | 69.4° | 60.0° |
| H101 | C10 | C11 | H111 | 170.5° | 179.9° |
| H101 | C10 | C11 | H112 | 50.6° | 60.0° |
| H102 | C10 | C11 | N12 | 53.3° | 60.0° |
| H102 | C10 | C11 | H111 | 66.8° | 60.0° |
| H102 | C10 | C11 | H112 | 173.3° | 180.0° |
| N12 | C11 | H111 | H112 | 120.1° | 120.0° |
| C11 | N12 | C13 | C14 | 179.3° | 180.0° |
| C11 | N12 | C13 | H131 | 42.9° | 0.0° |
| C11 | N12 | C13 | H132 | 77.1° | 120.0° |
| C11 | N12 | C13 | H133 | 162.9° | 120.0° |
| C11 | N12 | C14 | N14 | 164.5° | 180.0° |
| C11 | N12 | C14 | N15 | 1.1° | 0.0° |
| H111 | C11 | N12 | C13 | 157.3° | 150.0° |
| H111 | C11 | N12 | C14 | 23.3° | 30.0° |
| H112 | C11 | N12 | C13 | 37.5° | 30.0° |
| H112 | C11 | N12 | C14 | 143.2° | 150.0° |
| N12 | C13 | H131 | H132 | 120.0° | 120.0° |
| N12 | C13 | H131 | H133 | 120.0° | 120.0° |
| N12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | N12 | C14 | N14 | 16.1° | 0.0° |
| C13 | N12 | C14 | N15 | 178.2° | 180.0° |
| C14 | N12 | C13 | H131 | 137.7° | 180.0° |
| C14 | N12 | C13 | H132 | 102.2° | 60.0° |
| C14 | N12 | C13 | H133 | 17.7° | 60.0° |
| N12 | C14 | N14 | N15 | 167.3° | 180.0° |
| N12 | C14 | N14 | HN14 | 180.0° | 180.0° |
| N12 | C14 | N15 | H151 | 171.1° | 180.0° |
| N12 | C14 | N15 | H152 | 8.9° | 0.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| N14 | C14 | N15 | H151 | 5.7° | 0.0° |
| N14 | C14 | N15 | H152 | 174.3° | 180.0° |
| N15 | C14 | N14 | HN14 | 12.6° | 0.0° |
| C14 | N15 | H151 | H152 | 180.0° | 180.0° |
