SRQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.54Å | 1.49Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C11 | N10 | sing | 1.47Å | 1.46Å | |
| C06 | C07 | sing | 1.53Å | 1.51Å | |
| C06 | C04 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.51Å | 1.51Å | |
| N10 | C08 | sing | 1.35Å | 1.40Å | |
| N10 | C18 | sing | 1.40Å | 1.44Å | |
| C08 | O09 | doub | 1.21Å | 1.22Å | |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| O05 | C04 | doub | 1.21Å | 1.18Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C04 | O1 | sing | 1.34Å | 102.54Å | |
| O1 | C2 | sing | 1.45Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C3 | F2 | sing | 1.40Å | 0.00Å | |
| C3 | F1 | sing | 1.40Å | 0.00Å | |
| C2 | H1 | sing | 1.09Å | 0.00Å | |
| C2 | H14 | sing | 1.09Å | 0.00Å | |
| C3 | H15 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 103.7° | 104.6° |
| C12 | C11 | N10 | 107.8° | 105.2° |
| C12 | C11 | H6 | 109.9° | 110.3° |
| C12 | C11 | H7 | 109.9° | 110.4° |
| C11 | C12 | H8 | 110.9° | 110.5° |
| C11 | C12 | H9 | 110.9° | 110.4° |
| C12 | C13 | C14 | 129.4° | 131.0° |
| C12 | C13 | C18 | 108.7° | 108.5° |
| C13 | C12 | H8 | 110.9° | 110.4° |
| C13 | C12 | H9 | 110.9° | 110.4° |
| C11 | N10 | C08 | 123.8° | 125.0° |
| C11 | N10 | C18 | 107.2° | 110.0° |
| N10 | C11 | H6 | 109.9° | 110.3° |
| N10 | C11 | H7 | 109.9° | 110.3° |
| C07 | C06 | C04 | 116.8° | 109.4° |
| C06 | C07 | C08 | 112.0° | 109.5° |
| C07 | C06 | H2 | 107.6° | 109.5° |
| C07 | C06 | H3 | 107.6° | 109.5° |
| C06 | C07 | H4 | 108.8° | 109.5° |
| C06 | C07 | H5 | 108.8° | 109.5° |
| C06 | C04 | O05 | 124.8° | 120.0° |
| C04 | C06 | H2 | 107.6° | 109.4° |
| C04 | C06 | H3 | 107.6° | 109.5° |
| C06 | C04 | O1 | 20.3° | 119.9° |
| C14 | C13 | C18 | 121.9° | 120.5° |
| C13 | C14 | C15 | 117.3° | 120.1° |
| C13 | C14 | H10 | 121.4° | 119.9° |
| C13 | C18 | N10 | 110.6° | 111.6° |
| C13 | C18 | C17 | 121.7° | 119.0° |
| C07 | C08 | N10 | 118.1° | 120.0° |
| C07 | C08 | O09 | 123.5° | 120.0° |
| C08 | C07 | H4 | 108.8° | 109.5° |
| C08 | C07 | H5 | 108.8° | 109.4° |
| C08 | N10 | C18 | 128.6° | 125.0° |
| N10 | C08 | O09 | 118.3° | 120.0° |
| N10 | C18 | C17 | 127.0° | 129.4° |
| C14 | C15 | C16 | 120.5° | 119.8° |
| C15 | C14 | H10 | 121.4° | 119.9° |
| C14 | C15 | H11 | 119.8° | 120.1° |
| C18 | C17 | C16 | 116.1° | 120.3° |
| C18 | C17 | H13 | 122.0° | 119.8° |
| C15 | C16 | C17 | 122.5° | 120.2° |
| C16 | C15 | H11 | 119.8° | 120.1° |
| C15 | C16 | H12 | 118.7° | 119.9° |
| C17 | C16 | H12 | 118.8° | 119.9° |
| C16 | C17 | H13 | 122.0° | 119.9° |
| O05 | C04 | O1 | 131.9° | 120.0° |
| H2 | C06 | H3 | 109.5° | 109.5° |
| H4 | C07 | H5 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 110.3° |
| H8 | C12 | H9 | 109.5° | 110.5° |
| C04 | O1 | C2 | 90.0° | 117.0° |
| O1 | C2 | C3 | 90.0° | 109.5° |
| O1 | C2 | H1 | 90.0° | 109.5° |
| O1 | C2 | H14 | 90.0° | 109.4° |
| C2 | C3 | F2 | 90.0° | 109.5° |
| C2 | C3 | F1 | 90.0° | 109.5° |
| C3 | C2 | H1 | 90.0° | 109.5° |
| C3 | C2 | H14 | 90.0° | 109.5° |
| C2 | C3 | H15 | 90.0° | 109.5° |
| F2 | C3 | F1 | 90.0° | 109.5° |
| F2 | C3 | H15 | 90.0° | 109.4° |
| F1 | C3 | H15 | 90.0° | 109.5° |
| H1 | C2 | H14 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H8 | 119.0° | 118.8° |
| C11 | C12 | C13 | H9 | 119.1° | 118.8° |
| C12 | C11 | N10 | H6 | 119.8° | 118.9° |
| C12 | C11 | N10 | H7 | 119.7° | 119.1° |
| C11 | C12 | C13 | C14 | 167.7° | 180.0° |
| C11 | C12 | C13 | C18 | 11.7° | 0.0° |
| C12 | C11 | N10 | C08 | 175.3° | 180.0° |
| C12 | C11 | N10 | C18 | 11.6° | 0.0° |
| C12 | C11 | H6 | H7 | 120.8° | 122.2° |
| C11 | C12 | H8 | H9 | 122.7° | 122.5° |
| C13 | C12 | C11 | N10 | 14.0° | 0.0° |
| C12 | C13 | C14 | C18 | 179.3° | 180.0° |
| C12 | C13 | C18 | N10 | 5.0° | 0.0° |
| C12 | C13 | C14 | C15 | 177.5° | 180.0° |
| C12 | C13 | C18 | C17 | 176.5° | 180.0° |
| C13 | C12 | C11 | H6 | 133.7° | 118.9° |
| C13 | C12 | C11 | H7 | 105.8° | 119.0° |
| C13 | C12 | H8 | H9 | 122.7° | 122.4° |
| C12 | C13 | C14 | H10 | 2.5° | 0.0° |
| C11 | N10 | C18 | C13 | 4.1° | 0.0° |
| C11 | N10 | C08 | C07 | 0.4° | 180.0° |
| C11 | N10 | C08 | C18 | 171.6° | 180.0° |
| C11 | N10 | C08 | O09 | 177.3° | 0.1° |
| C11 | N10 | C18 | C17 | 166.9° | 179.9° |
| N10 | C11 | H6 | H7 | 120.7° | 122.0° |
| N10 | C11 | C12 | H8 | 133.0° | 118.8° |
| N10 | C11 | C12 | H9 | 105.1° | 118.7° |
| C07 | C06 | C04 | H2 | 121.1° | 120.0° |
| C07 | C06 | C04 | H3 | 121.1° | 120.0° |
| C06 | C07 | C08 | H4 | 120.4° | 120.1° |
| C06 | C07 | C08 | H5 | 120.4° | 120.0° |
| C06 | C07 | C08 | N10 | 163.8° | 180.0° |
| C06 | C07 | C08 | O09 | 19.6° | 0.1° |
| C07 | C06 | C04 | O05 | 124.6° | 0.3° |
| C07 | C06 | H2 | H3 | 116.7° | 120.1° |
| C06 | C07 | H4 | H5 | 118.9° | 120.0° |
| C07 | C06 | C04 | O1 | 117.7° | 179.9° |
| C04 | C06 | C07 | C08 | 57.9° | 180.0° |
| C06 | C04 | O05 | O1 | 24.4° | 179.6° |
| C04 | C06 | H2 | H3 | 116.7° | 120.0° |
| C04 | C06 | C07 | H4 | 62.5° | 60.0° |
| C04 | C06 | C07 | H5 | 178.3° | 60.0° |
| C06 | C04 | O1 | C2 | 90.0° | 180.0° |
| C14 | C13 | C18 | N10 | 174.5° | 180.0° |
| C13 | C14 | C15 | H10 | 180.0° | 180.0° |
| C14 | C13 | C18 | C17 | 2.9° | 0.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C12 | H8 | 48.7° | 61.2° |
| C14 | C13 | C12 | H9 | 73.2° | 61.2° |
| C13 | C14 | C15 | H11 | 179.9° | 179.9° |
| C13 | C18 | N10 | C08 | 176.8° | 180.0° |
| C13 | C18 | N10 | C17 | 171.0° | 179.9° |
| C18 | C13 | C14 | C15 | 1.9° | 0.0° |
| C13 | C18 | C17 | C16 | 2.0° | 0.0° |
| C18 | C13 | C12 | H8 | 130.7° | 118.8° |
| C18 | C13 | C12 | H9 | 107.4° | 118.8° |
| C18 | C13 | C14 | H10 | 178.1° | 180.0° |
| C13 | C18 | C17 | H13 | 178.0° | 179.9° |
| C07 | C08 | N10 | O09 | 176.8° | 179.9° |
| C07 | C08 | N10 | C18 | 171.1° | 0.0° |
| C08 | C07 | C06 | H2 | 63.2° | 60.0° |
| C08 | C07 | C06 | H3 | 178.9° | 60.1° |
| C08 | C07 | H4 | H5 | 118.8° | 119.9° |
| C08 | N10 | C18 | C17 | 5.8° | 0.1° |
| N10 | C08 | C07 | H4 | 75.8° | 59.9° |
| N10 | C08 | C07 | H5 | 43.4° | 60.0° |
| C08 | N10 | C11 | H6 | 55.6° | 61.1° |
| C08 | N10 | C11 | H7 | 64.9° | 60.9° |
| C18 | N10 | C08 | O09 | 5.7° | 179.9° |
| N10 | C18 | C17 | C16 | 172.1° | 180.0° |
| C18 | N10 | C11 | H6 | 131.3° | 118.9° |
| C18 | N10 | C11 | H7 | 108.2° | 119.1° |
| N10 | C18 | C17 | H13 | 7.9° | 0.0° |
| O09 | C08 | C07 | H4 | 100.8° | 120.0° |
| O09 | C08 | C07 | H5 | 139.9° | 120.1° |
| C14 | C15 | C16 | H11 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.7° | 0.0° |
| C14 | C15 | C16 | H12 | 179.3° | 180.0° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C18 | C17 | C16 | H13 | 180.0° | 180.0° |
| C18 | C17 | C16 | H12 | 179.8° | 180.0° |
| C15 | C16 | C17 | H12 | 180.0° | 180.0° |
| C16 | C15 | C14 | H10 | 179.9° | 180.0° |
| C15 | C16 | C17 | H13 | 179.8° | 180.0° |
| C17 | C16 | C15 | H11 | 179.3° | 179.9° |
| O05 | C04 | C06 | H2 | 3.6° | 120.3° |
| O05 | C04 | C06 | H3 | 114.3° | 119.7° |
| O05 | C04 | O1 | C2 | 90.0° | 0.4° |
| H2 | C06 | C07 | H4 | 176.5° | 179.9° |
| H2 | C06 | C07 | H5 | 57.2° | 59.9° |
| H2 | C06 | C04 | O1 | 121.2° | 60.1° |
| H3 | C06 | C07 | H4 | 58.6° | 60.0° |
| H3 | C06 | C07 | H5 | 60.7° | 180.0° |
| H3 | C06 | C04 | O1 | 3.3° | 59.9° |
| H6 | C11 | C12 | H8 | 107.2° | 122.3° |
| H6 | C11 | C12 | H9 | 14.6° | 0.2° |
| H7 | C11 | C12 | H8 | 13.3° | 0.2° |
| H7 | C11 | C12 | H9 | 135.2° | 122.3° |
| H10 | C14 | C15 | H11 | 0.1° | 0.1° |
| H11 | C15 | C16 | H12 | 0.7° | 0.1° |
| H12 | C16 | C17 | H13 | 0.2° | 0.1° |
| C04 | O1 | C2 | C3 | 90.0° | 179.9° |
| C04 | O1 | C2 | H1 | 90.0° | 59.9° |
| C04 | O1 | C2 | H14 | 90.0° | 60.0° |
| O1 | C2 | C3 | H1 | 90.0° | 120.0° |
| O1 | C2 | C3 | H14 | 90.0° | 120.0° |
| O1 | C2 | C3 | F2 | 90.0° | 60.0° |
| O1 | C2 | C3 | F1 | 90.0° | 60.0° |
| O1 | C2 | H1 | H14 | 90.0° | 119.9° |
| O1 | C2 | C3 | H15 | 90.0° | 180.0° |
| C2 | C3 | F2 | F1 | 90.0° | 120.0° |
| C2 | C3 | F2 | H15 | 90.0° | 120.0° |
| C2 | C3 | F1 | H15 | 90.0° | 120.0° |
| C3 | C2 | H1 | H14 | 90.0° | 120.0° |
| F2 | C3 | F1 | H15 | 90.0° | 119.9° |
| F2 | C3 | C2 | H1 | 90.0° | 180.0° |
| F2 | C3 | C2 | H14 | 90.0° | 60.0° |
| F1 | C3 | C2 | H1 | 90.0° | 60.0° |
| F1 | C3 | C2 | H14 | 90.0° | 180.0° |
| H1 | C2 | C3 | H15 | 90.0° | 60.0° |
| H14 | C2 | C3 | H15 | 90.0° | 60.0° |
