A1EG3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C23 | trip | 1.14Å | 1.12Å | |
| C23 | C4' | sing | 1.43Å | 1.51Å | |
| C5' | C4' | doub | 1.40Å | 1.31Å | Aromatic |
| C5' | C21 | sing | 1.38Å | 1.51Å | Aromatic |
| C4' | C3' | sing | 1.40Å | 1.53Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.31Å | Aromatic |
| C3' | C2' | doub | 1.38Å | 1.30Å | Aromatic |
| C22 | C2' | sing | 1.38Å | 1.52Å | Aromatic |
| C2' | C1' | sing | 1.51Å | 1.53Å | |
| C1' | N9 | sing | 1.47Å | 1.27Å | |
| N9 | C8 | sing | 1.47Å | 1.35Å | |
| N9 | C14 | sing | 1.47Å | 1.29Å | |
| C8 | C12 | sing | 1.53Å | 1.58Å | |
| C8 | C15 | sing | 1.53Å | 1.57Å | |
| C14 | C10 | sing | 1.50Å | 1.51Å | |
| C12 | C9 | sing | 1.51Å | 1.53Å | |
| C10 | C9 | doub | 1.36Å | 1.39Å | |
| C10 | C11 | sing | 1.41Å | 1.50Å | |
| BR1 | CAA | sing | 1.89Å | 1.94Å | |
| OP3 | C11 | doub | 1.22Å | 1.38Å | |
| C1 | CAB | doub | 1.38Å | 1.31Å | Aromatic |
| C1 | CAA | sing | 1.38Å | 1.52Å | Aromatic |
| C9 | N3 | sing | 1.34Å | 1.33Å | |
| C11 | N2 | sing | 1.35Å | 1.42Å | |
| CAB | C5 | sing | 1.38Å | 1.53Å | Aromatic |
| CAA | C3 | doub | 1.38Å | 1.31Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.32Å | |
| N2 | C2 | sing | 1.36Å | 1.42Å | |
| C2 | N1 | sing | 1.37Å | 1.44Å | |
| C3 | C4 | sing | 1.38Å | 1.52Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.31Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| CAB | H11 | sing | 1.08Å | 1.08Å | |
| C5' | H12 | sing | 1.08Å | 1.08Å | |
| C3' | H13 | sing | 1.08Å | 1.08Å | |
| C1' | H14 | sing | 1.09Å | 1.10Å | |
| C1' | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.08Å | 1.08Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C23 | C4' | 179.4° | 180.0° |
| C23 | C4' | C5' | 117.6° | 120.1° |
| C23 | C4' | C3' | 120.4° | 120.1° |
| C4' | C5' | C21 | 117.9° | 119.9° |
| C5' | C4' | C3' | 121.9° | 119.7° |
| C4' | C5' | H12 | 121.0° | 120.1° |
| C5' | C21 | C22 | 119.8° | 120.2° |
| C5' | C21 | H9 | 120.1° | 120.0° |
| C21 | C5' | H12 | 121.1° | 120.0° |
| C4' | C3' | C2' | 120.5° | 119.8° |
| C4' | C3' | H13 | 119.8° | 120.1° |
| C21 | C22 | C2' | 122.3° | 120.3° |
| C22 | C21 | H9 | 120.1° | 119.9° |
| C21 | C22 | H10 | 118.8° | 119.8° |
| C3' | C2' | C22 | 117.5° | 120.2° |
| C3' | C2' | C1' | 123.1° | 119.9° |
| C2' | C3' | H13 | 119.8° | 120.1° |
| C22 | C2' | C1' | 119.4° | 119.9° |
| C2' | C22 | H10 | 118.9° | 119.9° |
| C2' | C1' | N9 | 116.9° | 109.5° |
| C2' | C1' | H14 | 107.6° | 109.4° |
| C2' | C1' | H15 | 107.6° | 109.5° |
| C1' | N9 | C8 | 119.5° | 111.0° |
| C1' | N9 | C14 | 109.8° | 111.0° |
| N9 | C1' | H14 | 107.6° | 109.5° |
| N9 | C1' | H15 | 107.6° | 109.5° |
| C8 | N9 | C14 | 112.0° | 110.2° |
| N9 | C8 | C12 | 107.0° | 108.5° |
| N9 | C8 | C15 | 112.7° | 109.7° |
| N9 | C8 | H5 | 112.0° | 109.8° |
| N9 | C14 | C10 | 118.5° | 110.5° |
| N9 | C14 | H22 | 107.2° | 109.3° |
| N9 | C14 | H23 | 107.1° | 109.3° |
| C12 | C8 | C15 | 107.6° | 109.6° |
| C8 | C12 | C9 | 113.2° | 110.0° |
| C12 | C8 | H5 | 108.7° | 109.6° |
| C8 | C12 | H20 | 108.5° | 109.4° |
| C8 | C12 | H21 | 108.5° | 109.4° |
| C15 | C8 | H5 | 108.8° | 109.6° |
| C8 | C15 | H6 | 109.5° | 109.5° |
| C8 | C15 | H7 | 109.5° | 109.5° |
| C8 | C15 | H8 | 109.4° | 109.5° |
| C14 | C10 | C9 | 117.0° | 122.3° |
| C14 | C10 | C11 | 121.5° | 118.7° |
| C10 | C14 | H22 | 107.2° | 109.3° |
| C10 | C14 | H23 | 107.2° | 109.3° |
| C12 | C9 | C10 | 116.6° | 121.7° |
| C12 | C9 | N3 | 121.6° | 118.5° |
| C9 | C12 | H20 | 108.5° | 109.4° |
| C9 | C12 | H21 | 108.5° | 109.4° |
| C9 | C10 | C11 | 121.5° | 119.0° |
| C10 | C9 | N3 | 121.7° | 119.8° |
| C10 | C11 | OP3 | 122.8° | 120.5° |
| C10 | C11 | N2 | 113.4° | 118.9° |
| BR1 | CAA | C1 | 120.0° | 120.0° |
| BR1 | CAA | C3 | 119.7° | 120.0° |
| OP3 | C11 | N2 | 123.8° | 120.5° |
| CAB | C1 | CAA | 118.8° | 120.0° |
| C1 | CAB | C5 | 121.0° | 120.0° |
| C1 | CAB | H11 | 119.5° | 120.0° |
| CAB | C1 | H16 | 120.6° | 120.0° |
| C1 | CAA | C3 | 120.3° | 120.0° |
| CAA | C1 | H16 | 120.6° | 120.0° |
| C9 | N3 | C2 | 118.8° | 121.7° |
| C11 | N2 | C2 | 118.8° | 119.6° |
| C11 | N2 | H17 | 120.6° | 120.2° |
| CAB | C5 | C4 | 119.7° | 120.1° |
| CAB | C5 | C6 | 121.9° | 120.0° |
| C5 | CAB | H11 | 119.5° | 120.0° |
| CAA | C3 | C4 | 120.8° | 120.0° |
| CAA | C3 | H18 | 119.6° | 120.0° |
| N3 | C2 | N2 | 125.7° | 121.1° |
| N3 | C2 | N1 | 122.5° | 119.5° |
| N2 | C2 | N1 | 111.8° | 119.5° |
| C2 | N2 | H17 | 120.6° | 120.2° |
| C2 | N1 | C6 | 114.8° | 120.0° |
| C2 | N1 | H1 | 122.6° | 120.0° |
| C3 | C4 | C5 | 119.4° | 120.0° |
| C3 | C4 | H2 | 120.3° | 120.0° |
| C4 | C3 | H18 | 119.6° | 120.0° |
| C4 | C5 | C6 | 118.4° | 120.0° |
| C5 | C4 | H2 | 120.3° | 120.0° |
| C5 | C6 | N1 | 112.6° | 109.4° |
| C5 | C6 | H3 | 108.7° | 109.5° |
| C5 | C6 | H4 | 108.7° | 109.5° |
| C6 | N1 | H1 | 122.6° | 120.0° |
| N1 | C6 | H3 | 108.7° | 109.4° |
| N1 | C6 | H4 | 108.7° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.4° |
| H6 | C15 | H8 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H14 | C1' | H15 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.3° |
| H22 | C14 | H23 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C23 | C4' | C5' | 60.1° | 170.0° |
| N5 | C23 | C4' | C3' | 120.1° | 10.0° |
| C23 | C4' | C5' | C3' | 179.9° | 180.0° |
| C23 | C4' | C5' | C21 | 179.4° | 179.9° |
| C23 | C4' | C3' | C2' | 178.6° | 179.7° |
| C23 | C4' | C5' | H12 | 0.6° | 0.0° |
| C23 | C4' | C3' | H13 | 1.5° | 0.0° |
| C4' | C5' | C21 | H12 | 180.0° | 179.9° |
| C4' | C5' | C21 | C22 | 0.6° | 0.1° |
| C5' | C4' | C3' | C2' | 1.3° | 0.3° |
| C4' | C5' | C21 | H9 | 179.4° | 179.8° |
| C5' | C4' | C3' | H13 | 178.7° | 180.0° |
| C21 | C5' | C4' | C3' | 0.5° | 0.0° |
| C5' | C21 | C22 | H9 | 180.0° | 179.9° |
| C5' | C21 | C22 | C2' | 1.4° | 0.2° |
| C5' | C21 | C22 | H10 | 178.6° | 179.8° |
| C4' | C3' | C2' | H13 | 180.0° | 179.7° |
| C4' | C3' | C2' | C22 | 2.0° | 0.6° |
| C4' | C3' | C2' | C1' | 179.4° | 180.0° |
| C3' | C4' | C5' | H12 | 179.5° | 179.9° |
| C21 | C22 | C2' | C3' | 2.2° | 0.6° |
| C21 | C22 | C2' | H10 | 180.0° | 180.0° |
| C21 | C22 | C2' | C1' | 179.7° | 179.9° |
| C22 | C21 | C5' | H12 | 179.4° | 180.0° |
| C3' | C2' | C22 | C1' | 177.5° | 179.4° |
| C3' | C2' | C1' | N9 | 58.0° | 89.4° |
| C3' | C2' | C22 | H10 | 177.8° | 179.4° |
| C3' | C2' | C1' | H14 | 179.1° | 30.6° |
| C3' | C2' | C1' | H15 | 63.0° | 150.6° |
| C22 | C2' | C1' | N9 | 124.6° | 90.0° |
| C2' | C22 | C21 | H9 | 178.5° | 179.9° |
| C22 | C2' | C3' | H13 | 177.9° | 179.7° |
| C22 | C2' | C1' | H14 | 3.6° | 150.0° |
| C22 | C2' | C1' | H15 | 114.3° | 30.0° |
| C2' | C1' | N9 | H14 | 121.1° | 120.0° |
| C2' | C1' | N9 | H15 | 121.1° | 120.0° |
| C2' | C1' | N9 | C8 | 157.6° | 170.0° |
| C2' | C1' | N9 | C14 | 71.0° | 67.1° |
| C1' | C2' | C22 | H10 | 0.3° | 0.0° |
| C1' | C2' | C3' | H13 | 0.6° | 0.3° |
| C2' | C1' | H14 | H15 | 116.6° | 120.0° |
| C1' | N9 | C8 | C14 | 130.4° | 123.3° |
| C1' | N9 | C8 | C12 | 161.3° | 166.1° |
| C1' | N9 | C8 | C15 | 80.7° | 74.2° |
| C1' | N9 | C14 | C10 | 166.7° | 175.5° |
| C1' | N9 | C8 | H5 | 42.3° | 46.3° |
| N9 | C1' | H14 | H15 | 116.6° | 120.0° |
| C1' | N9 | C14 | H22 | 45.4° | 55.2° |
| C1' | N9 | C14 | H23 | 72.0° | 64.3° |
| N9 | C8 | C12 | C15 | 121.2° | 119.8° |
| N9 | C8 | C12 | H5 | 121.1° | 119.9° |
| N9 | C8 | C15 | H5 | 124.8° | 120.7° |
| C8 | N9 | C14 | C10 | 58.1° | 52.2° |
| N9 | C8 | C12 | C9 | 46.4° | 50.3° |
| N9 | C8 | C15 | H6 | 180.0° | 58.9° |
| N9 | C8 | C15 | H7 | 60.0° | 60.9° |
| N9 | C8 | C15 | H8 | 60.0° | 179.0° |
| C8 | N9 | C1' | H14 | 81.3° | 70.0° |
| C8 | N9 | C1' | H15 | 36.5° | 50.0° |
| N9 | C8 | C12 | H20 | 167.0° | 170.4° |
| N9 | C8 | C12 | H21 | 74.2° | 69.8° |
| C8 | N9 | C14 | H22 | 179.4° | 68.1° |
| C8 | N9 | C14 | H23 | 63.1° | 172.4° |
| C14 | N9 | C8 | C12 | 68.3° | 70.6° |
| C14 | N9 | C8 | C15 | 49.7° | 49.1° |
| N9 | C14 | C10 | H22 | 121.3° | 120.3° |
| N9 | C14 | C10 | H23 | 121.3° | 120.3° |
| N9 | C14 | C10 | C9 | 21.4° | 17.7° |
| N9 | C14 | C10 | C11 | 161.4° | 162.5° |
| C14 | N9 | C8 | H5 | 172.7° | 169.6° |
| C14 | N9 | C1' | H14 | 50.0° | 52.9° |
| C14 | N9 | C1' | H15 | 167.9° | 172.9° |
| N9 | C14 | H22 | H23 | 115.9° | 119.5° |
| C12 | C8 | C15 | H5 | 117.6° | 120.3° |
| C8 | C12 | C9 | H20 | 120.6° | 120.1° |
| C8 | C12 | C9 | H21 | 120.6° | 120.2° |
| C8 | C12 | C9 | C10 | 15.0° | 17.3° |
| C8 | C12 | C9 | N3 | 165.4° | 163.0° |
| C12 | C8 | C15 | H6 | 62.4° | 60.1° |
| C12 | C8 | C15 | H7 | 57.6° | 180.0° |
| C12 | C8 | C15 | H8 | 177.6° | 60.0° |
| C8 | C12 | H20 | H21 | 118.3° | 119.8° |
| C15 | C8 | C12 | C9 | 74.8° | 69.4° |
| C8 | C15 | H6 | H7 | 120.0° | 119.9° |
| C8 | C15 | H6 | H8 | 120.0° | 120.1° |
| C8 | C15 | H7 | H8 | 120.0° | 120.1° |
| C15 | C8 | C12 | H20 | 45.7° | 50.7° |
| C15 | C8 | C12 | H21 | 164.6° | 170.4° |
| C14 | C10 | C9 | C12 | 1.6° | 1.0° |
| C14 | C10 | C9 | C11 | 177.2° | 179.7° |
| C14 | C10 | C11 | OP3 | 1.1° | 0.6° |
| C14 | C10 | C9 | N3 | 178.8° | 179.3° |
| C14 | C10 | C11 | N2 | 178.5° | 179.4° |
| C10 | C14 | H22 | H23 | 115.9° | 119.5° |
| C12 | C9 | C10 | N3 | 179.6° | 179.7° |
| C12 | C9 | C10 | C11 | 178.9° | 179.3° |
| C12 | C9 | N3 | C2 | 179.3° | 179.5° |
| C9 | C12 | C8 | H5 | 167.5° | 170.2° |
| C9 | C12 | H20 | H21 | 118.3° | 119.8° |
| C9 | C10 | C11 | OP3 | 178.2° | 179.6° |
| C9 | C10 | C11 | N2 | 1.4° | 0.3° |
| C10 | C9 | N3 | C2 | 1.1° | 0.2° |
| C10 | C9 | C12 | H20 | 135.6° | 137.4° |
| C10 | C9 | C12 | H21 | 105.6° | 102.9° |
| C9 | C10 | C14 | H22 | 142.7° | 102.5° |
| C9 | C10 | C14 | H23 | 99.9° | 138.0° |
| C10 | C11 | OP3 | N2 | 179.6° | 179.9° |
| C11 | C10 | C9 | N3 | 1.6° | 0.4° |
| C10 | C11 | N2 | C2 | 0.8° | 0.0° |
| C10 | C11 | N2 | H17 | 179.2° | 179.9° |
| C11 | C10 | C14 | H22 | 40.1° | 77.2° |
| C11 | C10 | C14 | H23 | 77.3° | 42.3° |
| BR1 | CAA | C1 | CAB | 179.7° | 179.7° |
| BR1 | CAA | C1 | C3 | 179.8° | 179.5° |
| BR1 | CAA | C3 | C4 | 179.2° | 180.0° |
| BR1 | CAA | C1 | H16 | 0.3° | 0.3° |
| BR1 | CAA | C3 | H18 | 0.8° | 0.5° |
| OP3 | C11 | N2 | C2 | 178.7° | 179.9° |
| OP3 | C11 | N2 | H17 | 1.2° | 0.2° |
| CAB | C1 | CAA | H16 | 180.0° | 180.0° |
| C1 | CAB | C5 | H11 | 180.0° | 180.0° |
| CAB | C1 | CAA | C3 | 0.0° | 0.3° |
| C1 | CAB | C5 | C4 | 0.8° | 0.0° |
| C1 | CAB | C5 | C6 | 179.7° | 180.0° |
| CAA | C1 | CAB | C5 | 0.7° | 0.0° |
| C1 | CAA | C3 | C4 | 0.6° | 0.5° |
| CAA | C1 | CAB | H11 | 179.3° | 180.0° |
| C1 | CAA | C3 | H18 | 179.4° | 180.0° |
| C9 | N3 | C2 | N2 | 0.7° | 0.1° |
| C9 | N3 | C2 | N1 | 178.7° | 179.9° |
| N3 | C9 | C12 | H20 | 44.9° | 42.9° |
| N3 | C9 | C12 | H21 | 74.0° | 76.8° |
| C11 | N2 | C2 | N3 | 0.6° | 0.2° |
| C11 | N2 | C2 | H17 | 180.0° | 179.9° |
| C11 | N2 | C2 | N1 | 178.8° | 179.8° |
| CAB | C5 | C4 | C3 | 0.3° | 0.3° |
| CAB | C5 | C4 | C6 | 179.5° | 180.0° |
| CAB | C5 | C6 | N1 | 53.7° | 90.0° |
| CAB | C5 | C4 | H2 | 179.7° | 180.0° |
| CAB | C5 | C6 | H3 | 174.1° | 150.1° |
| CAB | C5 | C6 | H4 | 66.8° | 30.0° |
| C5 | CAB | C1 | H16 | 179.4° | 180.0° |
| CAA | C3 | C4 | H18 | 180.0° | 179.5° |
| CAA | C3 | C4 | C5 | 0.4° | 0.5° |
| CAA | C3 | C4 | H2 | 179.6° | 179.7° |
| C3 | CAA | C1 | H16 | 179.9° | 179.7° |
| N3 | C2 | N2 | N1 | 178.2° | 179.9° |
| N3 | C2 | N1 | C6 | 159.1° | 0.1° |
| N3 | C2 | N1 | H1 | 20.9° | 179.7° |
| N3 | C2 | N2 | H17 | 179.4° | 179.9° |
| N2 | C2 | N1 | C6 | 19.2° | 180.0° |
| N2 | C2 | N1 | H1 | 160.8° | 0.2° |
| C2 | N1 | C6 | C5 | 88.6° | 179.7° |
| C2 | N1 | C6 | H1 | 180.0° | 179.8° |
| C2 | N1 | C6 | H3 | 150.9° | 59.8° |
| C2 | N1 | C6 | H4 | 31.8° | 60.2° |
| N1 | C2 | N2 | H17 | 1.3° | 0.1° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 179.8° | 179.8° |
| C4 | C5 | C6 | N1 | 126.8° | 90.0° |
| C4 | C5 | C6 | H3 | 6.4° | 29.9° |
| C4 | C5 | C6 | H4 | 112.7° | 150.0° |
| C4 | C5 | CAB | H11 | 179.2° | 180.0° |
| C5 | C4 | C3 | H18 | 179.6° | 180.0° |
| C5 | C6 | N1 | H3 | 120.5° | 120.0° |
| C5 | C6 | N1 | H4 | 120.5° | 120.0° |
| C5 | C6 | N1 | H1 | 91.4° | 0.1° |
| C6 | C5 | C4 | H2 | 0.2° | 0.0° |
| C5 | C6 | H3 | H4 | 118.6° | 120.1° |
| C6 | C5 | CAB | H11 | 0.3° | 0.1° |
| N1 | C6 | H3 | H4 | 118.6° | 120.0° |
| H1 | N1 | C6 | H3 | 29.1° | 120.0° |
| H1 | N1 | C6 | H4 | 148.2° | 120.0° |
| H2 | C4 | C3 | H18 | 0.4° | 0.3° |
| H5 | C8 | C15 | H6 | 55.2° | 179.6° |
| H5 | C8 | C15 | H7 | 175.2° | 59.7° |
| H5 | C8 | C15 | H8 | 64.8° | 60.3° |
| H5 | C8 | C12 | H20 | 71.9° | 69.7° |
| H5 | C8 | C12 | H21 | 46.9° | 50.0° |
| H6 | C15 | H7 | H8 | 120.0° | 120.0° |
| H9 | C21 | C22 | H10 | 1.5° | 0.1° |
| H9 | C21 | C5' | H12 | 0.6° | 0.1° |
| H11 | CAB | C1 | H16 | 0.6° | 0.0° |
