7W7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | O7 | sing | 1.44Å | 1.44Å | |
| C8 | O9 | sing | 1.44Å | 1.43Å | |
| O7 | C5 | sing | 1.36Å | 1.36Å | |
| O9 | C6 | sing | 1.36Å | 1.38Å | |
| C5 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C10 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C16 | C11 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | N13 | sing | 1.47Å | 1.46Å | |
| C14 | N13 | sing | 1.47Å | 1.48Å | |
| N13 | C17 | sing | 1.38Å | 1.35Å | |
| C17 | N18 | doub | 1.30Å | 1.43Å | |
| C17 | N19 | sing | 1.37Å | 1.33Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| N18 | H16 | sing | 0.97Å | 1.00Å | |
| N19 | H17 | sing | 0.97Å | 1.00Å | |
| N19 | H18 | sing | 0.97Å | 1.00Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C8 | O9 | 104.1° | 103.5° |
| C8 | O7 | C5 | 108.8° | 105.5° |
| O7 | C8 | H13 | 110.8° | 110.6° |
| O7 | C8 | H19 | 110.8° | 110.6° |
| C8 | O9 | C6 | 108.2° | 105.3° |
| O9 | C8 | H13 | 110.8° | 110.3° |
| O9 | C8 | H19 | 110.8° | 111.1° |
| O7 | C5 | C6 | 109.0° | 108.6° |
| O7 | C5 | C4 | 127.6° | 131.6° |
| O9 | C6 | C5 | 109.1° | 108.7° |
| O9 | C6 | C1 | 129.5° | 131.5° |
| C6 | C5 | C4 | 123.3° | 119.8° |
| C5 | C6 | C1 | 121.4° | 119.8° |
| C5 | C4 | C3 | 116.3° | 120.0° |
| C5 | C4 | H12 | 121.9° | 120.0° |
| C6 | C1 | C10 | 120.8° | 119.9° |
| C6 | C1 | C2 | 117.4° | 120.0° |
| C4 | C3 | C2 | 121.3° | 120.1° |
| C4 | C3 | H2 | 119.4° | 120.0° |
| C3 | C4 | H12 | 121.9° | 120.0° |
| C10 | C1 | C2 | 121.8° | 120.0° |
| C1 | C10 | C11 | 106.8° | 109.4° |
| C1 | C10 | H14 | 110.1° | 109.5° |
| C1 | C10 | H15 | 110.1° | 109.5° |
| C1 | C2 | C3 | 120.2° | 120.2° |
| C1 | C2 | H1 | 119.9° | 119.9° |
| C10 | C11 | C16 | 113.4° | 109.5° |
| C10 | C11 | C12 | 110.5° | 109.5° |
| C10 | C11 | H3 | 107.9° | 109.5° |
| C11 | C10 | H14 | 110.1° | 109.5° |
| C11 | C10 | H15 | 110.2° | 109.5° |
| C11 | C16 | C15 | 110.6° | 109.5° |
| C16 | C11 | C12 | 108.9° | 109.3° |
| C16 | C11 | H3 | 107.8° | 109.5° |
| C11 | C16 | H10 | 109.2° | 109.5° |
| C11 | C16 | H11 | 109.2° | 109.5° |
| C16 | C15 | C14 | 112.7° | 109.3° |
| C16 | C15 | H8 | 108.6° | 109.5° |
| C16 | C15 | H9 | 108.6° | 109.5° |
| C15 | C16 | H10 | 109.2° | 109.5° |
| C15 | C16 | H11 | 109.2° | 109.5° |
| C3 | C2 | H1 | 119.9° | 119.9° |
| C2 | C3 | H2 | 119.4° | 119.9° |
| C11 | C12 | N13 | 106.7° | 108.7° |
| C12 | C11 | H3 | 108.1° | 109.5° |
| C11 | C12 | H4 | 110.1° | 109.6° |
| C11 | C12 | H5 | 110.2° | 109.6° |
| C15 | C14 | N13 | 109.9° | 108.7° |
| C15 | C14 | H6 | 109.4° | 109.6° |
| C15 | C14 | H7 | 109.4° | 109.7° |
| C14 | C15 | H8 | 108.6° | 109.5° |
| C14 | C15 | H9 | 108.7° | 109.5° |
| C12 | N13 | C14 | 115.3° | 118.8° |
| C12 | N13 | C17 | 120.1° | 120.6° |
| N13 | C12 | H4 | 110.2° | 109.6° |
| N13 | C12 | H5 | 110.2° | 109.6° |
| C14 | N13 | C17 | 124.6° | 120.6° |
| N13 | C14 | H6 | 109.4° | 109.6° |
| N13 | C14 | H7 | 109.3° | 109.6° |
| N13 | C17 | N18 | 120.9° | 120.0° |
| N13 | C17 | N19 | 121.2° | 120.0° |
| N18 | C17 | N19 | 117.8° | 120.0° |
| C17 | N18 | H16 | 112.0° | 120.0° |
| C17 | N19 | H17 | 120.0° | 120.0° |
| C17 | N19 | H18 | 120.0° | 120.0° |
| H4 | C12 | H5 | 109.4° | 109.7° |
| H6 | C14 | H7 | 109.5° | 109.6° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.4° |
| H13 | C8 | H19 | 109.5° | 110.7° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| H17 | N19 | H18 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C8 | O9 | H13 | 119.1° | 118.3° |
| O7 | C8 | O9 | H19 | 119.1° | 118.7° |
| O7 | C8 | O9 | C6 | 8.1° | 27.9° |
| C8 | O7 | C5 | C6 | 7.0° | 17.3° |
| C8 | O7 | C5 | C4 | 176.2° | 162.1° |
| O7 | C8 | H13 | H19 | 122.5° | 122.9° |
| O9 | C8 | O7 | C5 | 9.2° | 27.6° |
| C8 | O9 | C6 | C5 | 4.3° | 18.1° |
| C8 | O9 | C6 | C1 | 174.6° | 162.5° |
| O9 | C8 | H13 | H19 | 122.5° | 123.3° |
| O7 | C5 | C6 | O9 | 1.7° | 0.6° |
| O7 | C5 | C6 | C4 | 176.9° | 179.4° |
| O7 | C5 | C6 | C1 | 179.3° | 180.0° |
| O7 | C5 | C4 | C3 | 179.4° | 179.6° |
| O7 | C5 | C4 | H12 | 0.7° | 0.5° |
| C5 | O7 | C8 | H13 | 109.9° | 145.7° |
| C5 | O7 | C8 | H19 | 128.3° | 91.4° |
| O9 | C6 | C5 | C1 | 178.9° | 179.4° |
| O9 | C6 | C5 | C4 | 178.7° | 180.0° |
| O9 | C6 | C1 | C10 | 0.3° | 0.4° |
| O9 | C6 | C1 | C2 | 178.0° | 179.8° |
| C6 | O9 | C8 | H13 | 111.0° | 146.2° |
| C6 | O9 | C8 | H19 | 127.2° | 90.8° |
| C6 | C5 | C4 | C3 | 3.0° | 0.3° |
| C5 | C6 | C1 | C10 | 179.0° | 179.7° |
| C5 | C6 | C1 | C2 | 0.7° | 0.5° |
| C6 | C5 | C4 | H12 | 177.0° | 179.7° |
| C4 | C5 | C6 | C1 | 2.4° | 0.6° |
| C5 | C4 | C3 | H12 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C5 | C4 | C3 | H2 | 179.4° | 180.0° |
| C6 | C1 | C10 | C2 | 178.2° | 179.8° |
| C6 | C1 | C10 | C11 | 97.7° | 84.8° |
| C6 | C1 | C2 | C3 | 3.0° | 0.2° |
| C6 | C1 | C2 | H1 | 177.0° | 179.7° |
| C6 | C1 | C10 | H14 | 21.8° | 155.2° |
| C6 | C1 | C10 | H15 | 142.6° | 35.3° |
| C4 | C3 | C2 | C1 | 2.3° | 0.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | H1 | 177.7° | 180.0° |
| C1 | C10 | C11 | H14 | 119.6° | 120.0° |
| C1 | C10 | C11 | H15 | 119.6° | 120.0° |
| C1 | C10 | C11 | C16 | 89.3° | 175.1° |
| C10 | C1 | C2 | C3 | 178.7° | 180.0° |
| C1 | C10 | C11 | C12 | 148.1° | 65.0° |
| C10 | C1 | C2 | H1 | 1.3° | 0.0° |
| C1 | C10 | C11 | H3 | 30.0° | 55.0° |
| C1 | C10 | H14 | H15 | 121.2° | 120.0° |
| C2 | C1 | C10 | C11 | 80.5° | 95.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 177.6° | 180.0° |
| C2 | C1 | C10 | H14 | 160.0° | 25.0° |
| C2 | C1 | C10 | H15 | 39.1° | 144.9° |
| C10 | C11 | C16 | C12 | 123.5° | 119.9° |
| C10 | C11 | C16 | H3 | 119.4° | 120.1° |
| C10 | C11 | C16 | C15 | 177.9° | 178.7° |
| C10 | C11 | C12 | H3 | 118.0° | 120.1° |
| C10 | C11 | C12 | N13 | 171.2° | 174.6° |
| C10 | C11 | C12 | H4 | 69.2° | 54.8° |
| C10 | C11 | C12 | H5 | 51.6° | 65.6° |
| C10 | C11 | C16 | H10 | 57.7° | 58.7° |
| C10 | C11 | C16 | H11 | 61.9° | 61.3° |
| C11 | C10 | H14 | H15 | 121.2° | 120.0° |
| C11 | C16 | C15 | H10 | 120.2° | 120.0° |
| C11 | C16 | C15 | H11 | 120.2° | 120.0° |
| C16 | C11 | C12 | H3 | 116.9° | 120.0° |
| C11 | C16 | C15 | C14 | 49.9° | 61.4° |
| C16 | C11 | C12 | N13 | 63.6° | 54.6° |
| C16 | C11 | C12 | H4 | 56.0° | 65.1° |
| C16 | C11 | C12 | H5 | 176.8° | 174.4° |
| C11 | C16 | C15 | H8 | 70.6° | 178.7° |
| C11 | C16 | C15 | H9 | 170.4° | 58.6° |
| C11 | C16 | H10 | H11 | 119.5° | 119.9° |
| C16 | C11 | C10 | H14 | 30.3° | 55.2° |
| C16 | C11 | C10 | H15 | 151.2° | 64.8° |
| C15 | C16 | C11 | C12 | 58.6° | 61.4° |
| C16 | C15 | C14 | H8 | 120.5° | 120.0° |
| C16 | C15 | C14 | H9 | 120.5° | 120.0° |
| C16 | C15 | C14 | N13 | 46.2° | 54.6° |
| C15 | C16 | C11 | H3 | 58.5° | 58.6° |
| C16 | C15 | C14 | H6 | 166.3° | 174.4° |
| C16 | C15 | C14 | H7 | 73.9° | 65.2° |
| C16 | C15 | H8 | H9 | 118.5° | 120.1° |
| C15 | C16 | H10 | H11 | 119.4° | 120.0° |
| C2 | C3 | C4 | H12 | 179.4° | 180.0° |
| C11 | C12 | N13 | H4 | 119.6° | 119.8° |
| C11 | C12 | N13 | H5 | 119.6° | 119.8° |
| C11 | C12 | N13 | C14 | 64.1° | 53.6° |
| C11 | C12 | N13 | C17 | 117.8° | 126.4° |
| C11 | C12 | H4 | H5 | 121.3° | 120.4° |
| C12 | C11 | C16 | H10 | 178.7° | 178.6° |
| C12 | C11 | C16 | H11 | 61.6° | 58.6° |
| C12 | C11 | C10 | H14 | 92.3° | 175.0° |
| C12 | C11 | C10 | H15 | 28.5° | 55.0° |
| C15 | C14 | N13 | C12 | 55.0° | 53.6° |
| C15 | C14 | N13 | H6 | 120.1° | 119.8° |
| C15 | C14 | N13 | H7 | 120.1° | 119.9° |
| C15 | C14 | N13 | C17 | 127.0° | 126.5° |
| C15 | C14 | H6 | H7 | 119.8° | 120.4° |
| C14 | C15 | H8 | H9 | 118.5° | 120.0° |
| C14 | C15 | C16 | H10 | 170.1° | 178.6° |
| C14 | C15 | C16 | H11 | 70.3° | 58.7° |
| C12 | N13 | C14 | C17 | 178.0° | 180.0° |
| C12 | N13 | C17 | N18 | 4.9° | 5.5° |
| C12 | N13 | C17 | N19 | 176.1° | 174.5° |
| N13 | C12 | C11 | H3 | 53.3° | 65.3° |
| N13 | C12 | H4 | H5 | 121.3° | 120.4° |
| C12 | N13 | C14 | H6 | 175.1° | 173.4° |
| C12 | N13 | C14 | H7 | 65.0° | 66.3° |
| C14 | N13 | C17 | N18 | 173.0° | 174.5° |
| C14 | N13 | C17 | N19 | 6.0° | 5.4° |
| C14 | N13 | C12 | H4 | 55.5° | 66.1° |
| C14 | N13 | C12 | H5 | 176.3° | 173.4° |
| N13 | C14 | H6 | H7 | 119.8° | 120.3° |
| N13 | C14 | C15 | H8 | 74.3° | 174.6° |
| N13 | C14 | C15 | H9 | 166.7° | 65.4° |
| N13 | C17 | N18 | N19 | 179.1° | 180.0° |
| C17 | N13 | C12 | H4 | 122.6° | 113.8° |
| C17 | N13 | C12 | H5 | 1.8° | 6.6° |
| C17 | N13 | C14 | H6 | 6.9° | 6.7° |
| C17 | N13 | C14 | H7 | 113.0° | 113.6° |
| N13 | C17 | N18 | H16 | 179.1° | 180.0° |
| N13 | C17 | N19 | H17 | 179.1° | 175.0° |
| N13 | C17 | N19 | H18 | 1.0° | 4.9° |
| N18 | C17 | N19 | H17 | 0.0° | 5.0° |
| N18 | C17 | N19 | H18 | 180.0° | 175.1° |
| N19 | C17 | N18 | H16 | 0.0° | 0.0° |
| C17 | N19 | H17 | H18 | 180.0° | 179.9° |
| H1 | C2 | C3 | H2 | 2.4° | 0.0° |
| H2 | C3 | C4 | H12 | 0.6° | 0.0° |
| H3 | C11 | C12 | H4 | 172.9° | 174.9° |
| H3 | C11 | C12 | H5 | 66.3° | 54.4° |
| H3 | C11 | C16 | H10 | 61.7° | 61.4° |
| H3 | C11 | C16 | H11 | 178.7° | 178.6° |
| H3 | C11 | C10 | H14 | 149.6° | 64.9° |
| H3 | C11 | C10 | H15 | 89.5° | 175.1° |
| H6 | C14 | C15 | H8 | 45.8° | 65.6° |
| H6 | C14 | C15 | H9 | 73.2° | 54.5° |
| H7 | C14 | C15 | H8 | 165.7° | 54.7° |
| H7 | C14 | C15 | H9 | 46.6° | 174.8° |
| H8 | C15 | C16 | H10 | 49.6° | 58.7° |
| H8 | C15 | C16 | H11 | 169.2° | 61.3° |
| H9 | C15 | C16 | H10 | 69.4° | 61.4° |
| H9 | C15 | C16 | H11 | 50.2° | 178.6° |
