I5D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.53Å | 0.00Å | |
| C14 | C13 | sing | 1.53Å | 0.00Å | |
| C15 | C13 | sing | 1.53Å | 0.00Å | |
| C13 | C12 | sing | 1.53Å | 0.00Å | |
| OP3 | C12 | sing | 1.43Å | 0.00Å | |
| OP3 | C11 | sing | 1.36Å | 0.00Å | |
| C16 | C11 | doub | 1.39Å | 0.00Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 0.00Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 0.00Å | Aromatic |
| N2 | CAA | trip | 1.14Å | 0.00Å | |
| C17 | C4' | doub | 1.40Å | 0.00Å | Aromatic |
| C10 | C5' | doub | 1.38Å | 0.00Å | Aromatic |
| CAA | C2' | sing | 1.43Å | 0.00Å | |
| C4' | C5' | sing | 1.40Å | 0.00Å | Aromatic |
| C4' | C3' | sing | 1.48Å | 0.00Å | |
| C2' | C3' | doub | 1.41Å | 0.00Å | Aromatic |
| C2' | C1' | sing | 1.41Å | 0.00Å | Aromatic |
| C3' | C18 | sing | 1.41Å | 0.00Å | Aromatic |
| S1 | C1' | sing | 1.76Å | 0.00Å | |
| S1 | C5 | sing | 1.81Å | 0.00Å | |
| C1' | N9 | doub | 1.32Å | 0.00Å | Aromatic |
| C18 | C19 | sing | 1.43Å | 0.00Å | |
| C18 | C8 | doub | 1.41Å | 0.00Å | Aromatic |
| C19 | N3 | trip | 1.14Å | 0.00Å | |
| N1 | C6 | sing | 1.35Å | 0.00Å | |
| N9 | C8 | sing | 1.32Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 0.00Å | |
| C6 | O6 | doub | 1.21Å | 0.00Å | |
| C8 | NAA | sing | 1.38Å | 0.00Å | |
| N1 | H1 | sing | 0.97Å | 0.00Å | |
| N1 | H2 | sing | 0.97Å | 0.00Å | |
| C5 | H3 | sing | 1.09Å | 0.00Å | |
| C5 | H4 | sing | 1.09Å | 0.00Å | |
| C10 | H5 | sing | 1.08Å | 0.00Å | |
| C13 | H6 | sing | 1.09Å | 0.00Å | |
| C15 | H7 | sing | 1.09Å | 0.00Å | |
| C15 | H8 | sing | 1.09Å | 0.00Å | |
| C17 | H9 | sing | 1.08Å | 0.00Å | |
| C12 | H10 | sing | 1.09Å | 0.00Å | |
| C12 | H11 | sing | 1.09Å | 0.00Å | |
| C14 | H12 | sing | 1.09Å | 0.00Å | |
| C14 | H13 | sing | 1.09Å | 0.00Å | |
| C16 | H14 | sing | 1.08Å | 0.00Å | |
| C5' | H15 | sing | 1.08Å | 0.00Å | |
| NAA | H16 | sing | 0.97Å | 0.00Å | |
| NAA | H17 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 90.0° | 60.0° |
| C14 | C15 | C13 | 90.0° | 60.0° |
| C14 | C15 | H7 | 90.0° | 117.5° |
| C14 | C15 | H8 | 90.0° | 117.6° |
| C15 | C14 | H12 | 90.0° | 117.5° |
| C15 | C14 | H13 | 90.0° | 117.5° |
| C14 | C13 | C15 | 90.0° | 60.0° |
| C14 | C13 | C12 | 90.0° | 117.5° |
| C14 | C13 | H6 | 90.0° | 117.5° |
| C13 | C14 | H12 | 90.0° | 117.6° |
| C13 | C14 | H13 | 90.0° | 117.5° |
| C15 | C13 | C12 | 90.0° | 117.5° |
| C15 | C13 | H6 | 90.0° | 117.5° |
| C13 | C15 | H7 | 90.0° | 117.5° |
| C13 | C15 | H8 | 90.0° | 117.5° |
| C13 | C12 | OP3 | 90.0° | 109.4° |
| C12 | C13 | H6 | 90.0° | 115.6° |
| C13 | C12 | H10 | 90.0° | 109.5° |
| C13 | C12 | H11 | 90.0° | 109.5° |
| C12 | OP3 | C11 | 90.0° | 116.9° |
| OP3 | C12 | H10 | 90.0° | 109.5° |
| OP3 | C12 | H11 | 90.0° | 109.5° |
| OP3 | C11 | C16 | 90.0° | 120.0° |
| OP3 | C11 | C10 | 90.0° | 119.9° |
| C11 | C16 | C17 | 90.0° | 120.1° |
| C16 | C11 | C10 | 90.0° | 120.1° |
| C11 | C16 | H14 | 90.0° | 119.9° |
| C16 | C17 | C4' | 90.0° | 119.9° |
| C16 | C17 | H9 | 90.0° | 120.0° |
| C17 | C16 | H14 | 90.0° | 120.0° |
| C11 | C10 | C5' | 90.0° | 120.1° |
| C11 | C10 | H5 | 90.0° | 119.9° |
| N2 | CAA | C2' | 90.0° | 180.0° |
| C17 | C4' | C5' | 90.0° | 119.8° |
| C17 | C4' | C3' | 90.0° | 120.1° |
| C4' | C17 | H9 | 90.0° | 120.1° |
| C10 | C5' | C4' | 90.0° | 119.9° |
| C5' | C10 | H5 | 90.0° | 120.0° |
| C10 | C5' | H15 | 90.0° | 120.1° |
| CAA | C2' | C3' | 90.0° | 120.5° |
| CAA | C2' | C1' | 90.0° | 120.5° |
| C5' | C4' | C3' | 90.0° | 120.1° |
| C4' | C5' | H15 | 90.0° | 120.0° |
| C4' | C3' | C2' | 90.0° | 121.0° |
| C4' | C3' | C18 | 90.0° | 121.0° |
| C3' | C2' | C1' | 90.0° | 118.9° |
| C2' | C3' | C18 | 90.0° | 118.1° |
| C2' | C1' | S1 | 90.0° | 119.5° |
| C2' | C1' | N9 | 90.0° | 120.9° |
| C3' | C18 | C19 | 90.0° | 120.5° |
| C3' | C18 | C8 | 90.0° | 119.0° |
| C1' | S1 | C5 | 90.0° | 100.0° |
| S1 | C1' | N9 | 90.0° | 119.6° |
| S1 | C5 | C6 | 90.0° | 109.5° |
| S1 | C5 | H3 | 90.0° | 109.4° |
| S1 | C5 | H4 | 90.0° | 109.4° |
| C1' | N9 | C8 | 90.0° | 122.2° |
| C19 | C18 | C8 | 90.0° | 120.5° |
| C18 | C19 | N3 | 90.0° | 180.0° |
| C18 | C8 | N9 | 90.0° | 120.9° |
| C18 | C8 | NAA | 90.0° | 119.5° |
| N1 | C6 | C5 | 90.0° | 120.0° |
| N1 | C6 | O6 | 90.0° | 120.0° |
| C6 | N1 | H1 | 90.0° | 120.0° |
| C6 | N1 | H2 | 90.0° | 120.0° |
| N9 | C8 | NAA | 90.0° | 119.6° |
| C5 | C6 | O6 | 90.0° | 120.0° |
| C6 | C5 | H3 | 90.0° | 109.5° |
| C6 | C5 | H4 | 90.0° | 109.5° |
| C8 | NAA | H16 | 90.0° | 120.0° |
| C8 | NAA | H17 | 90.0° | 120.0° |
| H1 | N1 | H2 | 90.0° | 120.0° |
| H3 | C5 | H4 | 90.0° | 109.5° |
| H7 | C15 | H8 | 90.0° | 115.5° |
| H10 | C12 | H11 | 90.0° | 109.5° |
| H12 | C14 | H13 | 90.0° | 115.6° |
| H16 | NAA | H17 | 90.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H12 | 90.0° | 107.5° |
| C15 | C14 | C13 | H13 | 90.0° | 107.5° |
| C14 | C15 | C13 | H7 | 90.0° | 107.5° |
| C14 | C15 | C13 | H8 | 90.0° | 107.6° |
| C15 | C14 | C13 | C12 | 90.0° | 107.5° |
| C15 | C14 | C13 | H6 | 90.0° | 107.5° |
| C14 | C15 | H7 | H8 | 90.0° | 145.8° |
| C15 | C14 | H12 | H13 | 90.0° | 145.6° |
| C14 | C13 | C12 | H6 | 90.0° | 145.7° |
| C14 | C13 | C12 | OP3 | 90.0° | 116.3° |
| C14 | C13 | C12 | H10 | 90.0° | 3.7° |
| C14 | C13 | C12 | H11 | 90.0° | 123.7° |
| C13 | C14 | H12 | H13 | 90.0° | 145.7° |
| C15 | C13 | C12 | H6 | 90.0° | 145.7° |
| C15 | C13 | C12 | OP3 | 90.0° | 175.1° |
| C13 | C15 | H7 | H8 | 90.0° | 145.6° |
| C15 | C13 | C12 | H10 | 90.0° | 64.9° |
| C15 | C13 | C12 | H11 | 90.0° | 55.1° |
| C13 | C12 | OP3 | H10 | 90.0° | 120.0° |
| C13 | C12 | OP3 | H11 | 90.0° | 120.0° |
| C13 | C12 | OP3 | C11 | 90.0° | 180.0° |
| C12 | C13 | C15 | H7 | 90.0° | 145.0° |
| C12 | C13 | C15 | H8 | 90.0° | 0.1° |
| C13 | C12 | H10 | H11 | 90.0° | 120.0° |
| C12 | C13 | C14 | H12 | 90.0° | 0.0° |
| C12 | C13 | C14 | H13 | 90.0° | 145.1° |
| C12 | OP3 | C11 | C16 | 90.0° | 0.0° |
| C12 | OP3 | C11 | C10 | 90.0° | 180.0° |
| OP3 | C12 | C13 | H6 | 90.0° | 29.4° |
| OP3 | C12 | H10 | H11 | 90.0° | 120.0° |
| OP3 | C11 | C16 | C10 | 90.0° | 180.0° |
| OP3 | C11 | C16 | C17 | 90.0° | 180.0° |
| OP3 | C11 | C10 | C5' | 90.0° | 180.0° |
| OP3 | C11 | C10 | H5 | 90.0° | 0.3° |
| C11 | OP3 | C12 | H10 | 90.0° | 60.0° |
| C11 | OP3 | C12 | H11 | 90.0° | 60.0° |
| OP3 | C11 | C16 | H14 | 90.0° | 0.0° |
| C11 | C16 | C17 | H14 | 90.0° | 180.0° |
| C11 | C16 | C17 | C4' | 90.0° | 0.2° |
| C16 | C11 | C10 | C5' | 90.0° | 0.0° |
| C16 | C11 | C10 | H5 | 90.0° | 179.7° |
| C11 | C16 | C17 | H9 | 90.0° | 179.7° |
| C17 | C16 | C11 | C10 | 90.0° | 0.0° |
| C16 | C17 | C4' | H9 | 90.0° | 179.6° |
| C16 | C17 | C4' | C5' | 90.0° | 0.4° |
| C16 | C17 | C4' | C3' | 90.0° | 179.5° |
| C11 | C10 | C5' | H5 | 90.0° | 179.7° |
| C11 | C10 | C5' | C4' | 90.0° | 0.3° |
| C10 | C11 | C16 | H14 | 90.0° | 180.0° |
| C11 | C10 | C5' | H15 | 90.0° | 179.7° |
| N2 | CAA | C2' | C3' | 90.0° | 17.6° |
| N2 | CAA | C2' | C1' | 90.0° | 162.0° |
| C17 | C4' | C5' | C10 | 90.0° | 0.5° |
| C17 | C4' | C5' | C3' | 90.0° | 180.0° |
| C17 | C4' | C3' | C2' | 90.0° | 115.0° |
| C17 | C4' | C3' | C18 | 90.0° | 64.9° |
| C4' | C17 | C16 | H14 | 90.0° | 179.8° |
| C17 | C4' | C5' | H15 | 90.0° | 179.5° |
| C10 | C5' | C4' | H15 | 90.0° | 180.0° |
| C10 | C5' | C4' | C3' | 90.0° | 179.5° |
| CAA | C2' | C3' | C4' | 90.0° | 0.1° |
| CAA | C2' | C3' | C1' | 90.0° | 179.7° |
| CAA | C2' | C3' | C18 | 90.0° | 180.0° |
| CAA | C2' | C1' | S1 | 90.0° | 0.1° |
| CAA | C2' | C1' | N9 | 90.0° | 180.0° |
| C5' | C4' | C3' | C2' | 90.0° | 65.0° |
| C5' | C4' | C3' | C18 | 90.0° | 115.0° |
| C4' | C5' | C10 | H5 | 90.0° | 179.9° |
| C5' | C4' | C17 | H9 | 90.0° | 180.0° |
| C4' | C3' | C2' | C18 | 90.0° | 179.9° |
| C4' | C3' | C2' | C1' | 90.0° | 179.8° |
| C4' | C3' | C18 | C19 | 90.0° | 0.0° |
| C4' | C3' | C18 | C8 | 90.0° | 180.0° |
| C3' | C4' | C17 | H9 | 90.0° | 0.0° |
| C3' | C4' | C5' | H15 | 90.0° | 0.5° |
| C3' | C2' | C1' | S1 | 90.0° | 179.8° |
| C3' | C2' | C1' | N9 | 90.0° | 0.3° |
| C2' | C3' | C18 | C19 | 90.0° | 180.0° |
| C2' | C3' | C18 | C8 | 90.0° | 0.0° |
| C1' | C2' | C3' | C18 | 90.0° | 0.3° |
| C2' | C1' | S1 | N9 | 90.0° | 179.9° |
| C2' | C1' | S1 | C5 | 90.0° | 179.9° |
| C2' | C1' | N9 | C8 | 90.0° | 0.0° |
| C3' | C18 | C19 | C8 | 90.0° | 180.0° |
| C3' | C18 | C19 | N3 | 90.0° | 74.9° |
| C3' | C18 | C8 | N9 | 90.0° | 0.2° |
| C3' | C18 | C8 | NAA | 90.0° | 180.0° |
| S1 | C1' | N9 | C8 | 90.0° | 180.0° |
| C1' | S1 | C5 | C6 | 90.0° | 180.0° |
| C1' | S1 | C5 | H3 | 90.0° | 60.0° |
| C1' | S1 | C5 | H4 | 90.0° | 60.0° |
| C5 | S1 | C1' | N9 | 90.0° | 0.0° |
| S1 | C5 | C6 | N1 | 90.0° | 180.0° |
| S1 | C5 | C6 | H3 | 90.0° | 120.0° |
| S1 | C5 | C6 | H4 | 90.0° | 120.0° |
| S1 | C5 | C6 | O6 | 90.0° | 0.0° |
| S1 | C5 | H3 | H4 | 90.0° | 120.0° |
| C1' | N9 | C8 | C18 | 90.0° | 0.2° |
| C1' | N9 | C8 | NAA | 90.0° | 180.0° |
| C19 | C18 | C8 | N9 | 90.0° | 179.7° |
| C19 | C18 | C8 | NAA | 90.0° | 0.0° |
| C8 | C18 | C19 | N3 | 90.0° | 105.1° |
| C18 | C8 | N9 | NAA | 90.0° | 179.8° |
| C18 | C8 | NAA | H16 | 90.0° | 0.1° |
| C18 | C8 | NAA | H17 | 90.0° | 180.0° |
| N1 | C6 | C5 | O6 | 90.0° | 180.0° |
| C6 | N1 | H1 | H2 | 90.0° | 179.7° |
| N1 | C6 | C5 | H3 | 90.0° | 60.0° |
| N1 | C6 | C5 | H4 | 90.0° | 60.0° |
| N9 | C8 | NAA | H16 | 90.0° | 179.7° |
| N9 | C8 | NAA | H17 | 90.0° | 0.2° |
| C5 | C6 | N1 | H1 | 90.0° | 0.0° |
| C5 | C6 | N1 | H2 | 90.0° | 179.7° |
| C6 | C5 | H3 | H4 | 90.0° | 120.0° |
| O6 | C6 | N1 | H1 | 90.0° | 180.0° |
| O6 | C6 | N1 | H2 | 90.0° | 0.3° |
| O6 | C6 | C5 | H3 | 90.0° | 119.9° |
| O6 | C6 | C5 | H4 | 90.0° | 120.0° |
| C8 | NAA | H16 | H17 | 90.0° | 179.9° |
| H5 | C10 | C5' | H15 | 90.0° | 0.0° |
| H6 | C13 | C15 | H7 | 90.0° | 0.0° |
| H6 | C13 | C15 | H8 | 90.0° | 144.9° |
| H6 | C13 | C12 | H10 | 90.0° | 149.4° |
| H6 | C13 | C12 | H11 | 90.0° | 90.6° |
| H6 | C13 | C14 | H12 | 90.0° | 145.0° |
| H6 | C13 | C14 | H13 | 90.0° | 0.1° |
| H7 | C15 | C14 | H12 | 90.0° | 145.0° |
| H7 | C15 | C14 | H13 | 90.0° | 0.0° |
| H8 | C15 | C14 | H12 | 90.0° | 0.1° |
| H8 | C15 | C14 | H13 | 90.0° | 145.0° |
| H9 | C17 | C16 | H14 | 90.0° | 0.2° |
