J6L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | O2' | sing | 1.43Å | 1.38Å | |
| C1 | O3' | sing | 1.43Å | 1.38Å | |
| O3' | C3' | sing | 1.36Å | 1.35Å | |
| O2' | C2' | sing | 1.36Å | 1.35Å | |
| C3' | C2' | doub | 1.39Å | 1.38Å | Aromatic |
| C3' | C4' | sing | 1.39Å | 1.35Å | Aromatic |
| C2' | C1' | sing | 1.38Å | 1.38Å | Aromatic |
| C4' | C5' | doub | 1.38Å | 1.33Å | Aromatic |
| C1' | CAB | doub | 1.39Å | 1.37Å | Aromatic |
| C5' | CAB | sing | 1.40Å | 1.37Å | Aromatic |
| C5' | O5' | sing | 1.36Å | 1.32Å | |
| CAC | O5' | sing | 1.43Å | 1.41Å | |
| CAB | C8 | sing | 1.48Å | 1.49Å | |
| CAA | C8 | doub | 1.36Å | 1.31Å | |
| CAA | OP3 | sing | 1.33Å | 1.37Å | |
| C8 | C15 | sing | 1.48Å | 1.36Å | |
| OP3 | C9 | sing | 1.35Å | 1.22Å | |
| C15 | O4 | doub | 1.22Å | 1.02Å | |
| C15 | C14 | sing | 1.48Å | 1.40Å | |
| C9 | C14 | doub | 1.41Å | 1.37Å | Aromatic |
| C9 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.33Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.44Å | |
| C5 | C4 | doub | 1.33Å | 1.33Å | |
| C6 | C11 | doub | 1.40Å | 1.37Å | Aromatic |
| C13 | C2 | doub | 1.37Å | 1.34Å | Aromatic |
| C4 | C16 | sing | 1.51Å | 1.51Å | |
| C11 | C2 | sing | 1.39Å | 1.34Å | Aromatic |
| C11 | O5 | sing | 1.36Å | 1.33Å | |
| O5 | C16 | sing | 1.43Å | 1.38Å | |
| C16 | C18 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C4 | H17 | sing | 1.08Å | 1.08Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1' | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.08Å | 1.08Å | |
| CAA | H8 | sing | 1.08Å | 1.08Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | O2' | C2' | 125.4° | 117.0° |
| O2' | C23 | H20 | 109.5° | 109.5° |
| O2' | C23 | H21 | 109.5° | 109.5° |
| O2' | C23 | H22 | 109.4° | 109.5° |
| C1 | O3' | C3' | 123.7° | 117.0° |
| O3' | C1 | H2 | 109.5° | 109.5° |
| O3' | C1 | H3 | 109.5° | 109.4° |
| O3' | C1 | H1 | 109.4° | 109.4° |
| O3' | C3' | C2' | 125.3° | 119.9° |
| O3' | C3' | C4' | 114.4° | 119.9° |
| O2' | C2' | C3' | 122.8° | 119.9° |
| O2' | C2' | C1' | 118.8° | 120.0° |
| C2' | C3' | C4' | 120.3° | 120.1° |
| C3' | C2' | C1' | 118.3° | 120.1° |
| C3' | C4' | C5' | 120.9° | 120.1° |
| C3' | C4' | H4 | 119.6° | 120.0° |
| C2' | C1' | CAB | 120.6° | 119.9° |
| C2' | C1' | H19 | 119.7° | 120.0° |
| C4' | C5' | CAB | 120.9° | 119.9° |
| C4' | C5' | O5' | 119.7° | 120.0° |
| C5' | C4' | H4 | 119.6° | 120.0° |
| C1' | CAB | C5' | 119.0° | 119.8° |
| C1' | CAB | C8 | 122.2° | 120.1° |
| CAB | C1' | H19 | 119.7° | 120.0° |
| CAB | C5' | O5' | 119.3° | 120.0° |
| C5' | CAB | C8 | 118.7° | 120.1° |
| C5' | O5' | CAC | 123.8° | 117.0° |
| O5' | CAC | H6 | 109.5° | 109.4° |
| O5' | CAC | H5 | 109.5° | 109.5° |
| O5' | CAC | H7 | 109.5° | 109.4° |
| CAB | C8 | CAA | 116.1° | 121.0° |
| CAB | C8 | C15 | 129.7° | 121.0° |
| C8 | CAA | OP3 | 124.3° | 123.1° |
| CAA | C8 | C15 | 114.1° | 118.0° |
| C8 | CAA | H8 | 117.9° | 118.5° |
| CAA | OP3 | C9 | 124.6° | 121.4° |
| OP3 | CAA | H8 | 117.9° | 118.4° |
| C8 | C15 | O4 | 117.1° | 122.1° |
| C8 | C15 | C14 | 119.2° | 115.8° |
| OP3 | C9 | C14 | 114.9° | 120.6° |
| OP3 | C9 | C6 | 127.2° | 120.9° |
| O4 | C15 | C14 | 123.6° | 122.1° |
| C15 | C14 | C9 | 122.8° | 117.9° |
| C15 | C14 | C13 | 118.1° | 121.4° |
| C14 | C9 | C6 | 118.0° | 118.5° |
| C9 | C14 | C13 | 119.1° | 120.7° |
| C9 | C6 | C5 | 125.8° | 121.4° |
| C9 | C6 | C11 | 120.5° | 120.1° |
| C14 | C13 | C2 | 123.9° | 120.2° |
| C14 | C13 | H10 | 118.1° | 119.9° |
| C6 | C5 | C4 | 116.5° | 118.0° |
| C5 | C6 | C11 | 113.7° | 118.6° |
| C6 | C5 | H18 | 121.8° | 120.9° |
| C5 | C4 | C16 | 121.2° | 119.9° |
| C5 | C4 | H17 | 119.4° | 120.0° |
| C4 | C5 | H18 | 121.7° | 121.0° |
| C6 | C11 | C2 | 119.5° | 120.3° |
| C6 | C11 | O5 | 125.3° | 118.7° |
| C13 | C2 | C11 | 119.0° | 120.3° |
| C2 | C13 | H10 | 118.1° | 119.9° |
| C13 | C2 | H9 | 120.5° | 119.8° |
| C4 | C16 | O5 | 110.6° | 110.5° |
| C4 | C16 | C18 | 107.7° | 109.3° |
| C4 | C16 | C17 | 113.6° | 109.2° |
| C16 | C4 | H17 | 119.4° | 120.0° |
| C2 | C11 | O5 | 115.2° | 121.0° |
| C11 | C2 | H9 | 120.5° | 119.9° |
| C11 | O5 | C16 | 122.9° | 117.2° |
| O5 | C16 | C18 | 109.2° | 109.5° |
| O5 | C16 | C17 | 105.6° | 109.0° |
| C18 | C16 | C17 | 110.1° | 109.3° |
| C16 | C18 | H15 | 109.5° | 109.5° |
| C16 | C18 | H16 | 109.4° | 109.4° |
| C16 | C18 | H14 | 109.5° | 109.5° |
| C16 | C17 | H11 | 109.5° | 109.4° |
| C16 | C17 | H13 | 109.5° | 109.5° |
| C16 | C17 | H12 | 109.5° | 109.5° |
| H11 | C17 | H13 | 109.4° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H13 | C17 | H12 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H15 | C18 | H14 | 109.5° | 109.5° |
| H16 | C18 | H14 | 109.4° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.4° |
| H20 | C23 | H22 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.4° |
| H6 | CAC | H5 | 109.5° | 109.5° |
| H6 | CAC | H7 | 109.5° | 109.5° |
| H5 | CAC | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | O2' | C2' | C3' | 78.2° | 180.0° |
| C23 | O2' | C2' | C1' | 100.9° | 0.0° |
| O2' | C23 | H20 | H21 | 120.0° | 120.0° |
| O2' | C23 | H20 | H22 | 120.0° | 120.1° |
| O2' | C23 | H21 | H22 | 120.0° | 120.0° |
| C1 | O3' | C3' | C2' | 52.1° | 180.0° |
| C1 | O3' | C3' | C4' | 129.0° | 0.1° |
| O3' | C1 | H2 | H3 | 120.0° | 120.0° |
| O3' | C1 | H2 | H1 | 120.0° | 119.9° |
| O3' | C1 | H3 | H1 | 120.0° | 119.9° |
| O3' | C3' | C2' | O2' | 0.3° | 0.0° |
| O3' | C3' | C2' | C4' | 178.9° | 179.9° |
| O3' | C3' | C2' | C1' | 178.7° | 180.0° |
| O3' | C3' | C4' | C5' | 178.8° | 180.0° |
| C3' | O3' | C1 | H2 | 180.0° | 60.0° |
| C3' | O3' | C1 | H3 | 60.0° | 60.0° |
| C3' | O3' | C1 | H1 | 60.0° | 180.0° |
| O3' | C3' | C4' | H4 | 1.2° | 0.1° |
| O2' | C2' | C3' | C1' | 179.1° | 180.0° |
| O2' | C2' | C3' | C4' | 179.2° | 179.9° |
| O2' | C2' | C1' | CAB | 179.1° | 180.0° |
| O2' | C2' | C1' | H19 | 0.9° | 0.3° |
| C2' | O2' | C23 | H20 | 180.0° | 60.0° |
| C2' | O2' | C23 | H21 | 60.0° | 60.0° |
| C2' | O2' | C23 | H22 | 60.0° | 180.0° |
| C2' | C3' | C4' | C5' | 0.2° | 0.1° |
| C3' | C2' | C1' | CAB | 1.8° | 0.0° |
| C3' | C2' | C1' | H19 | 178.2° | 179.7° |
| C2' | C3' | C4' | H4 | 179.8° | 180.0° |
| C4' | C3' | C2' | C1' | 0.1° | 0.1° |
| C3' | C4' | C5' | H4 | 180.0° | 179.9° |
| C3' | C4' | C5' | CAB | 1.9° | 0.1° |
| C3' | C4' | C5' | O5' | 178.9° | 180.0° |
| C2' | C1' | CAB | H19 | 180.0° | 179.7° |
| C2' | C1' | CAB | C5' | 3.4° | 0.0° |
| C2' | C1' | CAB | C8 | 179.1° | 179.7° |
| C4' | C5' | CAB | C1' | 3.4° | 0.0° |
| C4' | C5' | CAB | O5' | 177.0° | 179.9° |
| C4' | C5' | O5' | CAC | 9.6° | 0.1° |
| C4' | C5' | CAB | C8 | 179.0° | 179.7° |
| C1' | CAB | C5' | C8 | 177.6° | 179.7° |
| C1' | CAB | C5' | O5' | 179.5° | 179.9° |
| C1' | CAB | C8 | CAA | 71.6° | 105.1° |
| C1' | CAB | C8 | C15 | 104.6° | 75.0° |
| CAB | C5' | O5' | CAC | 173.3° | 180.0° |
| C5' | CAB | C8 | CAA | 105.9° | 75.2° |
| C5' | CAB | C8 | C15 | 77.9° | 104.7° |
| C5' | CAB | C1' | H19 | 176.6° | 179.7° |
| CAB | C5' | C4' | H4 | 178.1° | 180.0° |
| O5' | C5' | CAB | C8 | 1.9° | 0.4° |
| O5' | C5' | C4' | H4 | 1.1° | 0.1° |
| C5' | O5' | CAC | H6 | 180.0° | 60.1° |
| C5' | O5' | CAC | H5 | 60.0° | 60.0° |
| C5' | O5' | CAC | H7 | 60.0° | 180.0° |
| O5' | CAC | H6 | H5 | 120.0° | 120.0° |
| O5' | CAC | H6 | H7 | 120.0° | 119.9° |
| O5' | CAC | H5 | H7 | 120.0° | 120.0° |
| CAB | C8 | CAA | C15 | 176.8° | 179.9° |
| CAB | C8 | CAA | OP3 | 177.2° | 179.1° |
| CAB | C8 | C15 | O4 | 3.2° | 12.9° |
| CAB | C8 | C15 | C14 | 179.0° | 167.1° |
| C8 | CAB | C1' | H19 | 0.9° | 0.0° |
| CAB | C8 | CAA | H8 | 2.9° | 1.1° |
| C8 | CAA | OP3 | H8 | 180.0° | 179.9° |
| C8 | CAA | OP3 | C9 | 4.7° | 15.9° |
| CAA | C8 | C15 | O4 | 179.5° | 167.1° |
| CAA | C8 | C15 | C14 | 4.8° | 13.0° |
| OP3 | CAA | C8 | C15 | 6.0° | 0.9° |
| CAA | OP3 | C9 | C14 | 1.5° | 15.6° |
| CAA | OP3 | C9 | C6 | 179.3° | 164.8° |
| C8 | C15 | O4 | C14 | 175.6° | 180.0° |
| C8 | C15 | C14 | C9 | 2.3° | 12.9° |
| C8 | C15 | C14 | C13 | 179.1° | 167.2° |
| C15 | C8 | CAA | H8 | 174.0° | 179.0° |
| OP3 | C9 | C14 | C15 | 0.5° | 0.8° |
| OP3 | C9 | C14 | C6 | 179.3° | 179.6° |
| OP3 | C9 | C14 | C13 | 179.1° | 179.2° |
| OP3 | C9 | C6 | C5 | 2.9° | 0.6° |
| OP3 | C9 | C6 | C11 | 179.8° | 179.3° |
| C9 | OP3 | CAA | H8 | 175.3° | 164.0° |
| O4 | C15 | C14 | C9 | 177.8° | 167.2° |
| O4 | C15 | C14 | C13 | 3.6° | 12.8° |
| C15 | C14 | C9 | C13 | 178.6° | 180.0° |
| C15 | C14 | C9 | C6 | 179.8° | 179.6° |
| C15 | C14 | C13 | C2 | 178.7° | 179.7° |
| C15 | C14 | C13 | H10 | 1.3° | 0.3° |
| C14 | C9 | C6 | C5 | 176.3° | 179.8° |
| C14 | C9 | C6 | C11 | 1.0° | 0.3° |
| C9 | C14 | C13 | C2 | 0.0° | 0.3° |
| C9 | C14 | C13 | H10 | 180.0° | 179.7° |
| C6 | C9 | C14 | C13 | 1.6° | 0.4° |
| C9 | C6 | C5 | C11 | 177.5° | 180.0° |
| C9 | C6 | C5 | C4 | 154.9° | 163.5° |
| C9 | C6 | C11 | C2 | 1.2° | 0.0° |
| C9 | C6 | C11 | O5 | 178.0° | 180.0° |
| C9 | C6 | C5 | H18 | 25.1° | 16.6° |
| C14 | C13 | C2 | H10 | 180.0° | 180.0° |
| C14 | C13 | C2 | C11 | 2.3° | 0.1° |
| C14 | C13 | C2 | H9 | 177.7° | 180.0° |
| C6 | C5 | C4 | H18 | 180.0° | 179.9° |
| C6 | C5 | C4 | C16 | 38.9° | 0.6° |
| C5 | C6 | C11 | C2 | 178.8° | 180.0° |
| C5 | C6 | C11 | O5 | 4.3° | 0.1° |
| C6 | C5 | C4 | H17 | 141.0° | 179.7° |
| C4 | C5 | C6 | C11 | 27.6° | 16.5° |
| C5 | C4 | C16 | H17 | 180.0° | 179.7° |
| C5 | C4 | C16 | O5 | 24.5° | 31.3° |
| C5 | C4 | C16 | C18 | 94.8° | 151.9° |
| C5 | C4 | C16 | C17 | 143.0° | 88.6° |
| C6 | C11 | C2 | C13 | 2.8° | 0.1° |
| C6 | C11 | C2 | O5 | 177.1° | 179.9° |
| C6 | C11 | O5 | C16 | 9.1° | 33.8° |
| C11 | C6 | C5 | H18 | 152.4° | 163.4° |
| C6 | C11 | C2 | H9 | 177.2° | 179.9° |
| C13 | C2 | C11 | H9 | 180.0° | 180.0° |
| C13 | C2 | C11 | O5 | 179.9° | 179.9° |
| C4 | C16 | O5 | C11 | 0.0° | 48.3° |
| C4 | C16 | O5 | C18 | 118.4° | 120.5° |
| C4 | C16 | O5 | C17 | 123.3° | 120.1° |
| C4 | C16 | C18 | C17 | 124.4° | 119.5° |
| C16 | C4 | C5 | H18 | 141.0° | 179.5° |
| C4 | C16 | C17 | H11 | 180.0° | 60.0° |
| C4 | C16 | C17 | H13 | 60.0° | 180.0° |
| C4 | C16 | C17 | H12 | 60.0° | 59.9° |
| C4 | C16 | C18 | H15 | 180.0° | 60.0° |
| C4 | C16 | C18 | H16 | 60.0° | 180.0° |
| C4 | C16 | C18 | H14 | 60.0° | 60.0° |
| C2 | C11 | O5 | C16 | 167.8° | 146.1° |
| C11 | C2 | C13 | H10 | 177.7° | 179.9° |
| C11 | O5 | C16 | C18 | 118.3° | 168.7° |
| C11 | O5 | C16 | C17 | 123.3° | 71.8° |
| O5 | C11 | C2 | H9 | 0.1° | 0.2° |
| O5 | C16 | C18 | C17 | 115.5° | 119.3° |
| O5 | C16 | C4 | H17 | 155.5° | 149.0° |
| O5 | C16 | C17 | H11 | 58.6° | 179.1° |
| O5 | C16 | C17 | H13 | 61.4° | 59.1° |
| O5 | C16 | C17 | H12 | 178.6° | 60.9° |
| O5 | C16 | C18 | H15 | 59.9° | 61.2° |
| O5 | C16 | C18 | H16 | 179.9° | 58.8° |
| O5 | C16 | C18 | H14 | 60.2° | 178.8° |
| C18 | C16 | C4 | H17 | 85.2° | 28.4° |
| C18 | C16 | C17 | H11 | 59.2° | 59.5° |
| C18 | C16 | C17 | H13 | 179.1° | 60.5° |
| C18 | C16 | C17 | H12 | 60.9° | 179.5° |
| C16 | C18 | H15 | H16 | 120.0° | 120.0° |
| C16 | C18 | H15 | H14 | 120.0° | 120.0° |
| C16 | C18 | H16 | H14 | 120.0° | 120.0° |
| C17 | C16 | C4 | H17 | 36.9° | 91.2° |
| C16 | C17 | H11 | H13 | 120.0° | 120.0° |
| C16 | C17 | H11 | H12 | 120.0° | 120.0° |
| C16 | C17 | H13 | H12 | 120.0° | 120.0° |
| C17 | C16 | C18 | H15 | 55.6° | 179.5° |
| C17 | C16 | C18 | H16 | 64.4° | 60.5° |
| C17 | C16 | C18 | H14 | 175.7° | 59.5° |
| H17 | C4 | C5 | H18 | 39.0° | 0.2° |
| H10 | C13 | C2 | H9 | 2.3° | 0.0° |
| H11 | C17 | H13 | H12 | 120.0° | 120.0° |
| H2 | C1 | H3 | H1 | 120.0° | 120.1° |
| H15 | C18 | H16 | H14 | 120.0° | 120.0° |
| H20 | C23 | H21 | H22 | 120.0° | 120.0° |
| H6 | CAC | H5 | H7 | 120.0° | 120.0° |
