7L7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.43Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.36Å | Aromatic |
| O20 | C10 | doub | 1.21Å | 1.24Å | |
| C13 | N9 | sing | 1.40Å | 1.43Å | |
| C13 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | N9 | sing | 1.32Å | 1.37Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C17 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.36Å | |
| C18 | F19 | sing | 1.35Å | 1.34Å | |
| C11 | S12 | sing | 1.82Å | 1.76Å | |
| N4 | C3 | trip | 1.14Å | 1.18Å | |
| C8 | S12 | sing | 1.72Å | 1.75Å | |
| C8 | C1 | doub | 1.40Å | 1.36Å | |
| C3 | C1 | sing | 1.43Å | 1.28Å | |
| C1 | C2 | sing | 1.42Å | 1.46Å | |
| C2 | O5 | doub | 1.22Å | 1.23Å | |
| C2 | O6 | sing | 1.35Å | 1.44Å | |
| O6 | C7 | sing | 1.43Å | 1.45Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 122.0° | 120.1° |
| C15 | C14 | C13 | 115.6° | 119.9° |
| C15 | C14 | H6 | 122.2° | 120.1° |
| C14 | C15 | H7 | 119.0° | 119.9° |
| C15 | C16 | C17 | 121.6° | 120.2° |
| C16 | C15 | H7 | 119.0° | 120.0° |
| C15 | C16 | H8 | 119.2° | 119.9° |
| C14 | C13 | N9 | 119.4° | 120.1° |
| C14 | C13 | C18 | 122.0° | 119.9° |
| C13 | C14 | H6 | 122.2° | 120.0° |
| C16 | C17 | C18 | 117.3° | 120.0° |
| C17 | C16 | H8 | 119.2° | 119.9° |
| C16 | C17 | H9 | 121.4° | 119.9° |
| O20 | C10 | N9 | 126.0° | 123.5° |
| O20 | C10 | C11 | 120.2° | 123.5° |
| N9 | C13 | C18 | 118.5° | 120.0° |
| C13 | N9 | C10 | 115.3° | 119.8° |
| C13 | N9 | C8 | 128.5° | 119.8° |
| C13 | C18 | C17 | 121.2° | 119.9° |
| C13 | C18 | F19 | 117.4° | 120.1° |
| N9 | C10 | C11 | 113.7° | 113.0° |
| C10 | N9 | C8 | 116.1° | 120.3° |
| C10 | C11 | S12 | 103.0° | 103.2° |
| C10 | C11 | H4 | 111.1° | 110.7° |
| C10 | C11 | H5 | 111.0° | 110.6° |
| C17 | C18 | F19 | 121.4° | 120.0° |
| C18 | C17 | H9 | 121.4° | 120.1° |
| N9 | C8 | S12 | 109.8° | 108.6° |
| N9 | C8 | C1 | 123.7° | 125.7° |
| C11 | S12 | C8 | 95.4° | 94.9° |
| S12 | C11 | H4 | 111.1° | 110.7° |
| S12 | C11 | H5 | 111.1° | 110.6° |
| N4 | C3 | C1 | 179.1° | 179.9° |
| S12 | C8 | C1 | 126.5° | 125.8° |
| C8 | C1 | C3 | 129.2° | 120.0° |
| C8 | C1 | C2 | 117.8° | 120.0° |
| C3 | C1 | C2 | 113.0° | 120.0° |
| C1 | C2 | O5 | 121.2° | 120.0° |
| C1 | C2 | O6 | 118.6° | 120.0° |
| O5 | C2 | O6 | 120.1° | 120.0° |
| C2 | O6 | C7 | 120.1° | 117.0° |
| O6 | C7 | H1 | 109.5° | 109.5° |
| O6 | C7 | H2 | 109.5° | 109.5° |
| O6 | C7 | H3 | 109.5° | 109.5° |
| H1 | C7 | H2 | 109.5° | 109.4° |
| H1 | C7 | H3 | 109.5° | 109.4° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H7 | 180.0° | 179.9° |
| C15 | C14 | C13 | H6 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 4.0° | 0.1° |
| C15 | C14 | C13 | N9 | 178.2° | 180.0° |
| C15 | C14 | C13 | C18 | 2.1° | 0.3° |
| C14 | C15 | C16 | H8 | 176.0° | 180.0° |
| C16 | C15 | C14 | C13 | 2.2° | 0.0° |
| C15 | C16 | C17 | H8 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 5.2° | 0.2° |
| C16 | C15 | C14 | H6 | 177.8° | 179.9° |
| C15 | C16 | C17 | H9 | 174.8° | 180.0° |
| C14 | C13 | N9 | C18 | 176.2° | 179.7° |
| C14 | C13 | N9 | C10 | 71.5° | 89.7° |
| C14 | C13 | C18 | C17 | 3.6° | 0.6° |
| C14 | C13 | N9 | C8 | 111.3° | 90.3° |
| C14 | C13 | C18 | F19 | 178.1° | 179.7° |
| C13 | C14 | C15 | H7 | 177.7° | 179.9° |
| C16 | C17 | C18 | C13 | 5.0° | 0.5° |
| C16 | C17 | C18 | H9 | 180.0° | 179.7° |
| C16 | C17 | C18 | F19 | 176.8° | 179.7° |
| C17 | C16 | C15 | H7 | 176.0° | 180.0° |
| O20 | C10 | N9 | C13 | 1.9° | 0.1° |
| O20 | C10 | N9 | C11 | 177.0° | 179.9° |
| O20 | C10 | N9 | C8 | 175.6° | 180.0° |
| O20 | C10 | C11 | S12 | 169.3° | 180.0° |
| O20 | C10 | C11 | H4 | 50.4° | 61.5° |
| O20 | C10 | C11 | H5 | 71.7° | 61.6° |
| C13 | N9 | C10 | C8 | 177.5° | 180.0° |
| C13 | N9 | C10 | C11 | 175.1° | 180.0° |
| N9 | C13 | C18 | C17 | 179.7° | 179.7° |
| N9 | C13 | C18 | F19 | 2.0° | 0.0° |
| C13 | N9 | C8 | S12 | 174.2° | 180.0° |
| C13 | N9 | C8 | C1 | 2.1° | 0.3° |
| N9 | C13 | C14 | H6 | 1.9° | 0.0° |
| C18 | C13 | N9 | C10 | 104.7° | 90.0° |
| C13 | C18 | C17 | F19 | 178.2° | 179.7° |
| C18 | C13 | N9 | C8 | 72.4° | 90.0° |
| C18 | C13 | C14 | H6 | 178.0° | 179.7° |
| C13 | C18 | C17 | H9 | 175.0° | 179.7° |
| N9 | C10 | C11 | S12 | 13.4° | 0.1° |
| C10 | N9 | C8 | S12 | 2.9° | 0.0° |
| C10 | N9 | C8 | C1 | 179.2° | 179.7° |
| N9 | C10 | C11 | H4 | 132.4° | 118.4° |
| N9 | C10 | C11 | H5 | 105.5° | 118.4° |
| C11 | C10 | N9 | C8 | 7.4° | 0.0° |
| C10 | C11 | S12 | H4 | 119.0° | 118.5° |
| C10 | C11 | S12 | H5 | 119.0° | 118.4° |
| C10 | C11 | S12 | C8 | 12.6° | 0.0° |
| C10 | C11 | H4 | H5 | 123.0° | 123.1° |
| C18 | C17 | C16 | H8 | 174.8° | 179.7° |
| N9 | C8 | S12 | C11 | 9.9° | 0.0° |
| N9 | C8 | S12 | C1 | 176.2° | 179.7° |
| N9 | C8 | C1 | C3 | 7.3° | 0.1° |
| N9 | C8 | C1 | C2 | 175.3° | 179.7° |
| F19 | C18 | C17 | H9 | 3.2° | 0.0° |
| C11 | S12 | C8 | C1 | 173.9° | 179.7° |
| S12 | C11 | H4 | H5 | 123.0° | 123.1° |
| N4 | C3 | C1 | C8 | 162.7° | 73.1° |
| N4 | C3 | C1 | C2 | 14.9° | 106.7° |
| S12 | C8 | C1 | C3 | 177.0° | 179.7° |
| S12 | C8 | C1 | C2 | 0.4° | 0.1° |
| C8 | S12 | C11 | H4 | 131.6° | 118.5° |
| C8 | S12 | C11 | H5 | 106.3° | 118.4° |
| C8 | C1 | C3 | C2 | 177.6° | 179.8° |
| C8 | C1 | C2 | O5 | 10.1° | 0.2° |
| C8 | C1 | C2 | O6 | 174.7° | 179.8° |
| C3 | C1 | C2 | O5 | 172.0° | 180.0° |
| C3 | C1 | C2 | O6 | 3.2° | 0.0° |
| C1 | C2 | O5 | O6 | 175.1° | 180.0° |
| C1 | C2 | O6 | C7 | 178.7° | 180.0° |
| O5 | C2 | O6 | C7 | 3.4° | 0.0° |
| C2 | O6 | C7 | H1 | 180.0° | 59.9° |
| C2 | O6 | C7 | H2 | 60.0° | 179.9° |
| C2 | O6 | C7 | H3 | 60.0° | 60.0° |
| O6 | C7 | H1 | H2 | 120.0° | 120.0° |
| O6 | C7 | H1 | H3 | 120.0° | 120.0° |
| O6 | C7 | H2 | H3 | 120.0° | 120.0° |
| H1 | C7 | H2 | H3 | 120.0° | 120.0° |
| H6 | C14 | C15 | H7 | 2.2° | 0.1° |
| H7 | C15 | C16 | H8 | 4.0° | 0.1° |
| H8 | C16 | C17 | H9 | 5.2° | 0.0° |
