7CU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C5 | doub | 1.22Å | 1.24Å | |
| N20 | C5 | sing | 1.35Å | 1.37Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C | sing | 1.48Å | 1.48Å | |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| N12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| N12 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.41Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.37Å | 1.39Å | Aromatic |
| C | N | doub | 1.33Å | 1.35Å | Aromatic |
| C | C1 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | C1 | sing | 1.48Å | 1.47Å | |
| C10 | C15 | doub | 1.36Å | 1.38Å | Aromatic |
| N | C4 | sing | 1.31Å | 1.34Å | Aromatic |
| C14 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.46Å | 1.42Å | Aromatic |
| C1 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| N9 | C8 | sing | 1.47Å | 1.49Å | |
| C4 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| N2 | C3 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | C11 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C3 | N6 | sing | 1.38Å | 1.40Å | |
| N6 | C7 | sing | 1.47Å | 1.45Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| N6 | H2 | sing | 0.97Å | 1.00Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| N9 | H6 | sing | 1.01Å | 1.00Å | |
| N9 | H7 | sing | 1.01Å | 1.00Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| N20 | H18 | sing | 0.97Å | 1.00Å | |
| N20 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C5 | N20 | 120.8° | 120.0° |
| O | C5 | C | 125.9° | 120.0° |
| N20 | C5 | C | 113.3° | 120.0° |
| C5 | N20 | H18 | 120.0° | 120.0° |
| C5 | N20 | H19 | 120.0° | 120.0° |
| C17 | C16 | C13 | 115.5° | 119.8° |
| C16 | C17 | C18 | 122.9° | 120.7° |
| C17 | C16 | H14 | 122.2° | 120.1° |
| C16 | C17 | H15 | 118.5° | 119.7° |
| C16 | C13 | N12 | 129.6° | 133.3° |
| C16 | C13 | C14 | 122.2° | 119.3° |
| C13 | C16 | H14 | 122.2° | 120.1° |
| C5 | C | N | 112.3° | 120.1° |
| C5 | C | C1 | 126.6° | 120.1° |
| C17 | C18 | C19 | 121.7° | 120.5° |
| C18 | C17 | H15 | 118.6° | 119.6° |
| C17 | C18 | H16 | 119.2° | 119.8° |
| C13 | N12 | C10 | 110.1° | 109.8° |
| N12 | C13 | C14 | 108.2° | 107.4° |
| C13 | N12 | H12 | 125.0° | 125.1° |
| N12 | C10 | C1 | 127.7° | 125.3° |
| N12 | C10 | C15 | 106.7° | 109.5° |
| C10 | N12 | H12 | 124.9° | 125.1° |
| C13 | C14 | C19 | 122.0° | 119.9° |
| C13 | C14 | C15 | 105.8° | 106.3° |
| C18 | C19 | C14 | 115.7° | 119.7° |
| C19 | C18 | H16 | 119.2° | 119.7° |
| C18 | C19 | H17 | 122.2° | 120.1° |
| N | C | C1 | 120.9° | 119.8° |
| C | N | C4 | 116.3° | 120.2° |
| C | C1 | C10 | 131.0° | 120.2° |
| C | C1 | N2 | 121.2° | 119.7° |
| C1 | C10 | C15 | 125.6° | 125.2° |
| C10 | C1 | N2 | 107.9° | 120.1° |
| C10 | C15 | C14 | 109.2° | 107.0° |
| C10 | C15 | H13 | 125.4° | 126.5° |
| N | C4 | C3 | 123.5° | 120.3° |
| N | C4 | H1 | 118.3° | 119.9° |
| C19 | C14 | C15 | 132.2° | 133.8° |
| C14 | C19 | H17 | 122.1° | 120.2° |
| C14 | C15 | H13 | 125.4° | 126.5° |
| C1 | N2 | C3 | 118.4° | 119.9° |
| N9 | C8 | C11 | 104.4° | 109.5° |
| N9 | C8 | C7 | 108.9° | 109.5° |
| N9 | C8 | H5 | 110.9° | 109.5° |
| C8 | N9 | H6 | 109.5° | 111.0° |
| C8 | N9 | H7 | 109.5° | 111.0° |
| C4 | C3 | N2 | 119.7° | 120.2° |
| C4 | C3 | N6 | 118.6° | 119.9° |
| C3 | C4 | H1 | 118.3° | 119.8° |
| N2 | C3 | N6 | 121.7° | 119.9° |
| C11 | C8 | C7 | 111.3° | 109.5° |
| C11 | C8 | H5 | 110.7° | 109.5° |
| C8 | C11 | H9 | 109.5° | 109.5° |
| C8 | C11 | H10 | 109.5° | 109.5° |
| C8 | C11 | H11 | 109.5° | 109.5° |
| C8 | C7 | N6 | 114.4° | 109.5° |
| C8 | C7 | H3 | 108.2° | 109.5° |
| C8 | C7 | H4 | 108.2° | 109.5° |
| C7 | C8 | H5 | 110.4° | 109.5° |
| C3 | N6 | C7 | 117.3° | 120.0° |
| C3 | N6 | H2 | 107.5° | 120.0° |
| C7 | N6 | H2 | 107.5° | 120.0° |
| N6 | C7 | H3 | 108.2° | 109.4° |
| N6 | C7 | H4 | 108.2° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H6 | N9 | H7 | 109.4° | 111.0° |
| H9 | C11 | H10 | 109.4° | 109.5° |
| H9 | C11 | H11 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H18 | N20 | H19 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C5 | N20 | C | 177.4° | 179.9° |
| O | C5 | C | N | 170.0° | 173.9° |
| O | C5 | C | C1 | 4.9° | 5.9° |
| O | C5 | N20 | H18 | 0.0° | 0.1° |
| O | C5 | N20 | H19 | 180.0° | 180.0° |
| N20 | C5 | C | N | 7.2° | 6.2° |
| N20 | C5 | C | C1 | 177.8° | 174.0° |
| C5 | N20 | H18 | H19 | 180.0° | 179.9° |
| C17 | C16 | C13 | H14 | 180.0° | 180.0° |
| C16 | C17 | C18 | H15 | 180.0° | 179.9° |
| C17 | C16 | C13 | N12 | 179.8° | 180.0° |
| C17 | C16 | C13 | C14 | 1.9° | 0.0° |
| C16 | C17 | C18 | C19 | 0.3° | 0.1° |
| C16 | C17 | C18 | H16 | 179.7° | 180.0° |
| C13 | C16 | C17 | C18 | 2.0° | 0.1° |
| C16 | C13 | N12 | C14 | 178.1° | 180.0° |
| C16 | C13 | N12 | C10 | 177.1° | 180.0° |
| C16 | C13 | C14 | C19 | 0.3° | 0.0° |
| C16 | C13 | C14 | C15 | 178.0° | 179.8° |
| C16 | C13 | N12 | H12 | 2.9° | 0.1° |
| C13 | C16 | C17 | H15 | 178.0° | 180.0° |
| C5 | C | N | C1 | 175.3° | 179.8° |
| C5 | C | C1 | C10 | 3.0° | 0.2° |
| C5 | C | N | C4 | 176.7° | 179.7° |
| C5 | C | C1 | N2 | 176.9° | 179.7° |
| C | C5 | N20 | H18 | 177.4° | 180.0° |
| C | C5 | N20 | H19 | 2.6° | 0.1° |
| C17 | C18 | C19 | H16 | 180.0° | 179.9° |
| C17 | C18 | C19 | C14 | 2.5° | 0.1° |
| C18 | C17 | C16 | H14 | 178.1° | 179.9° |
| C17 | C18 | C19 | H17 | 177.5° | 180.0° |
| C13 | N12 | C10 | H12 | 180.0° | 179.9° |
| C13 | N12 | C10 | C1 | 179.5° | 179.9° |
| C13 | N12 | C10 | C15 | 1.3° | 0.2° |
| N12 | C13 | C14 | C19 | 178.0° | 180.0° |
| N12 | C13 | C14 | C15 | 0.2° | 0.2° |
| N12 | C13 | C16 | H14 | 0.2° | 0.0° |
| C10 | N12 | C13 | C14 | 1.0° | 0.0° |
| N12 | C10 | C1 | C | 1.9° | 122.2° |
| N12 | C10 | C1 | C15 | 179.0° | 179.7° |
| N12 | C10 | C15 | C14 | 1.2° | 0.3° |
| N12 | C10 | C1 | N2 | 178.0° | 57.8° |
| N12 | C10 | C15 | H13 | 178.8° | 179.7° |
| C13 | C14 | C19 | C18 | 2.5° | 0.0° |
| C13 | C14 | C15 | C10 | 0.6° | 0.3° |
| C13 | C14 | C19 | C15 | 177.1° | 179.8° |
| C14 | C13 | N12 | H12 | 179.0° | 179.9° |
| C13 | C14 | C15 | H13 | 179.4° | 179.7° |
| C14 | C13 | C16 | H14 | 178.1° | 180.0° |
| C13 | C14 | C19 | H17 | 177.5° | 180.0° |
| C18 | C19 | C14 | H17 | 180.0° | 179.9° |
| C18 | C19 | C14 | C15 | 179.6° | 179.8° |
| C19 | C18 | C17 | H15 | 179.8° | 180.0° |
| N | C | C1 | C10 | 177.6° | 180.0° |
| N | C | C1 | N2 | 2.3° | 0.1° |
| C | N | C4 | C3 | 0.5° | 0.0° |
| C | N | C4 | H1 | 179.5° | 180.0° |
| C | C1 | C10 | N2 | 180.0° | 179.9° |
| C | C1 | C10 | C15 | 177.1° | 57.5° |
| C1 | C | N | C4 | 1.4° | 0.0° |
| C | C1 | N2 | C3 | 2.1° | 0.1° |
| C1 | C10 | C15 | C14 | 179.6° | 179.9° |
| C10 | C1 | N2 | C3 | 177.8° | 180.0° |
| C1 | C10 | N12 | H12 | 0.5° | 0.0° |
| C1 | C10 | C15 | H13 | 0.4° | 0.0° |
| C10 | C15 | C14 | C19 | 176.8° | 179.9° |
| C10 | C15 | C14 | H13 | 180.0° | 179.9° |
| C15 | C10 | C1 | N2 | 3.0° | 122.6° |
| C15 | C10 | N12 | H12 | 178.7° | 179.7° |
| N | C4 | C3 | H1 | 180.0° | 180.0° |
| N | C4 | C3 | N2 | 0.4° | 0.0° |
| N | C4 | C3 | N6 | 179.7° | 180.0° |
| C19 | C14 | C15 | H13 | 3.2° | 0.0° |
| C14 | C19 | C18 | H16 | 177.5° | 180.0° |
| C15 | C14 | C19 | H17 | 0.4° | 0.3° |
| C1 | N2 | C3 | C4 | 1.2° | 0.0° |
| C1 | N2 | C3 | N6 | 178.9° | 180.0° |
| N9 | C8 | C11 | C7 | 117.4° | 120.0° |
| N9 | C8 | C11 | H5 | 119.4° | 120.0° |
| N9 | C8 | C7 | H5 | 122.0° | 120.0° |
| N9 | C8 | C7 | N6 | 67.7° | 55.0° |
| N9 | C8 | C7 | H3 | 171.6° | 65.0° |
| N9 | C8 | C7 | H4 | 53.0° | 175.0° |
| C8 | N9 | H6 | H7 | 120.0° | 124.0° |
| N9 | C8 | C11 | H9 | 180.0° | 180.0° |
| N9 | C8 | C11 | H10 | 60.0° | 60.0° |
| N9 | C8 | C11 | H11 | 60.0° | 60.0° |
| C4 | C3 | N2 | N6 | 179.9° | 180.0° |
| C4 | C3 | N6 | C7 | 169.5° | 0.0° |
| C4 | C3 | N6 | H2 | 48.3° | 180.0° |
| N2 | C3 | N6 | C7 | 10.6° | 180.0° |
| N2 | C3 | C4 | H1 | 179.6° | 180.0° |
| N2 | C3 | N6 | H2 | 131.7° | 0.0° |
| C11 | C8 | C7 | H5 | 123.4° | 120.0° |
| C11 | C8 | C7 | N6 | 177.7° | 175.0° |
| C11 | C8 | C7 | H3 | 57.0° | 55.0° |
| C11 | C8 | C7 | H4 | 61.6° | 65.0° |
| C11 | C8 | N9 | H6 | 180.0° | 176.1° |
| C11 | C8 | N9 | H7 | 60.0° | 59.9° |
| C8 | C11 | H9 | H10 | 120.0° | 120.0° |
| C8 | C11 | H9 | H11 | 120.0° | 120.0° |
| C8 | C11 | H10 | H11 | 120.0° | 120.0° |
| C8 | C7 | N6 | C3 | 71.7° | 180.0° |
| C8 | C7 | N6 | H3 | 120.7° | 120.0° |
| C8 | C7 | N6 | H4 | 120.7° | 120.0° |
| C8 | C7 | N6 | H2 | 49.5° | 0.0° |
| C8 | C7 | H3 | H4 | 117.8° | 120.0° |
| C7 | C8 | N9 | H6 | 60.9° | 63.9° |
| C7 | C8 | N9 | H7 | 59.0° | 60.0° |
| C7 | C8 | C11 | H9 | 62.6° | 60.0° |
| C7 | C8 | C11 | H10 | 177.4° | 180.0° |
| C7 | C8 | C11 | H11 | 57.4° | 60.0° |
| C3 | N6 | C7 | H2 | 121.1° | 179.9° |
| N6 | C3 | C4 | H1 | 0.3° | 0.1° |
| C3 | N6 | C7 | H3 | 49.0° | 60.0° |
| C3 | N6 | C7 | H4 | 167.6° | 60.0° |
| N6 | C7 | H3 | H4 | 117.7° | 120.0° |
| N6 | C7 | C8 | H5 | 54.3° | 65.0° |
| H2 | N6 | C7 | H3 | 170.2° | 120.0° |
| H2 | N6 | C7 | H4 | 71.3° | 120.0° |
| H3 | C7 | C8 | H5 | 66.4° | 175.0° |
| H4 | C7 | C8 | H5 | 175.1° | 55.0° |
| H5 | C8 | N9 | H6 | 60.8° | 56.1° |
| H5 | C8 | N9 | H7 | 179.2° | 179.9° |
| H5 | C8 | C11 | H9 | 60.6° | 60.0° |
| H5 | C8 | C11 | H10 | 59.4° | 60.0° |
| H5 | C8 | C11 | H11 | 179.4° | 180.0° |
| H9 | C11 | H10 | H11 | 120.0° | 120.0° |
| H14 | C16 | C17 | H15 | 2.0° | 0.0° |
| H15 | C17 | C18 | H16 | 0.2° | 0.1° |
| H16 | C18 | C19 | H17 | 2.5° | 0.1° |
