N7O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.34Å | 1.34Å | |
| C10 | C11 | sing | 1.48Å | 1.48Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | doub | 1.32Å | 1.35Å | Aromatic |
| C20 | S21 | sing | 1.75Å | 1.72Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C28 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | S21 | sing | 1.76Å | 1.72Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.37Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | C19 | sing | 1.45Å | 1.49Å | Aromatic |
| C28 | C27 | sing | 1.41Å | 1.39Å | Aromatic |
| C01 | P02 | sing | 1.82Å | 1.78Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| P02 | O03 | doub | 1.48Å | 1.49Å | |
| P02 | O04 | sing | 1.61Å | 1.57Å | |
| P02 | C05 | sing | 1.82Å | 1.84Å | |
| C05 | C06 | sing | 1.51Å | 1.57Å | |
| C05 | C19 | sing | 1.51Å | 1.52Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C06 | O07 | doub | 1.21Å | 1.21Å | |
| C06 | N08 | sing | 1.35Å | 1.43Å | |
| N08 | C09 | sing | 1.39Å | 1.43Å | |
| N08 | HN08 | sing | 0.97Å | 1.00Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | F15 | sing | 1.35Å | 1.33Å | |
| C14 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | F17 | sing | 1.35Å | 1.34Å | |
| C16 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | CL26 | sing | 1.74Å | 1.73Å | |
| C25 | C27 | doub | 1.36Å | 1.37Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| O04 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 124.2° | 120.0° |
| C09 | C10 | H10 | 117.9° | 120.0° |
| C10 | C09 | N08 | 119.0° | 120.0° |
| C10 | C09 | H09 | 120.5° | 120.0° |
| C11 | C10 | H10 | 117.9° | 120.0° |
| C10 | C11 | C12 | 122.7° | 120.1° |
| C10 | C11 | C18 | 118.2° | 120.1° |
| C12 | C13 | C14 | 118.2° | 120.2° |
| C12 | C13 | H13 | 120.9° | 119.9° |
| C13 | C12 | C11 | 121.7° | 119.9° |
| C13 | C12 | H12 | 119.1° | 120.0° |
| C14 | C13 | H13 | 120.9° | 119.9° |
| C13 | C14 | F15 | 119.7° | 119.9° |
| C13 | C14 | C16 | 121.1° | 120.3° |
| C19 | C20 | S21 | 114.2° | 111.4° |
| C19 | C20 | H20 | 122.9° | 124.3° |
| C20 | C19 | C28 | 110.1° | 114.9° |
| C20 | C19 | C05 | 127.7° | 122.5° |
| S21 | C20 | H20 | 122.9° | 124.3° |
| C20 | S21 | C22 | 93.0° | 92.2° |
| C28 | C22 | S21 | 110.2° | 109.7° |
| C28 | C22 | C23 | 123.4° | 119.8° |
| C22 | C28 | C19 | 112.5° | 111.9° |
| C22 | C28 | C27 | 116.2° | 118.8° |
| S21 | C22 | C23 | 126.4° | 130.6° |
| C22 | C23 | C24 | 119.7° | 120.2° |
| C22 | C23 | H23 | 120.2° | 119.9° |
| C23 | C24 | C25 | 116.3° | 120.2° |
| C23 | C24 | H24 | 121.8° | 119.9° |
| C24 | C23 | H23 | 120.2° | 119.9° |
| C25 | C24 | H24 | 121.8° | 119.9° |
| C24 | C25 | CL26 | 117.3° | 119.8° |
| C24 | C25 | C27 | 124.6° | 120.6° |
| C19 | C28 | C27 | 131.3° | 129.3° |
| C28 | C19 | C05 | 122.2° | 122.6° |
| C28 | C27 | C25 | 119.8° | 120.4° |
| C28 | C27 | H27 | 120.1° | 119.8° |
| P02 | C01 | H01 | 109.5° | 109.5° |
| P02 | C01 | H01A | 109.5° | 109.5° |
| P02 | C01 | H01B | 109.5° | 109.5° |
| C01 | P02 | O03 | 111.2° | 109.5° |
| C01 | P02 | O04 | 104.3° | 109.5° |
| C01 | P02 | C05 | 110.4° | 109.5° |
| H01 | C01 | H01A | 109.5° | 109.4° |
| H01 | C01 | H01B | 109.5° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.4° |
| O03 | P02 | O04 | 111.0° | 109.4° |
| O03 | P02 | C05 | 109.7° | 109.5° |
| O04 | P02 | C05 | 110.1° | 109.5° |
| P02 | O04 | H15 | 109.5° | 114.0° |
| P02 | C05 | C06 | 109.3° | 109.5° |
| P02 | C05 | C19 | 116.0° | 109.5° |
| P02 | C05 | H05 | 107.1° | 109.5° |
| C06 | C05 | C19 | 115.1° | 109.4° |
| C06 | C05 | H05 | 108.2° | 109.5° |
| C05 | C06 | O07 | 123.6° | 120.0° |
| C05 | C06 | N08 | 112.1° | 120.0° |
| C19 | C05 | H05 | 100.1° | 109.4° |
| O07 | C06 | N08 | 121.6° | 120.0° |
| C06 | N08 | C09 | 124.0° | 120.0° |
| C06 | N08 | HN08 | 118.0° | 120.1° |
| C09 | N08 | HN08 | 118.0° | 120.0° |
| N08 | C09 | H09 | 120.5° | 120.0° |
| C12 | C11 | C18 | 119.1° | 119.8° |
| C11 | C12 | H12 | 119.1° | 120.1° |
| C11 | C18 | C16 | 119.3° | 119.8° |
| C11 | C18 | H18 | 120.4° | 120.1° |
| F15 | C14 | C16 | 119.3° | 119.9° |
| C14 | C16 | F17 | 118.8° | 120.0° |
| C14 | C16 | C18 | 120.6° | 120.1° |
| F17 | C16 | C18 | 120.6° | 119.9° |
| C16 | C18 | H18 | 120.3° | 120.1° |
| CL26 | C25 | C27 | 118.1° | 119.7° |
| C25 | C27 | H27 | 120.1° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H10 | 180.0° | 179.8° |
| C10 | C09 | N08 | C06 | 171.8° | 180.0° |
| C10 | C09 | N08 | H09 | 180.0° | 180.0° |
| C10 | C09 | N08 | HN08 | 8.2° | 0.0° |
| C09 | C10 | C11 | C12 | 177.5° | 180.0° |
| C09 | C10 | C11 | C18 | 1.1° | 0.0° |
| C10 | C11 | C12 | C13 | 179.5° | 180.0° |
| C11 | C10 | C09 | N08 | 168.4° | 180.0° |
| C11 | C10 | C09 | H09 | 11.6° | 0.1° |
| C10 | C11 | C12 | C18 | 178.6° | 180.0° |
| C10 | C11 | C12 | H12 | 0.5° | 0.1° |
| C10 | C11 | C18 | C16 | 179.4° | 180.0° |
| C10 | C11 | C18 | H18 | 0.6° | 0.0° |
| H10 | C10 | C09 | N08 | 11.6° | 0.2° |
| H10 | C10 | C09 | H09 | 168.4° | 179.7° |
| H10 | C10 | C11 | C12 | 2.5° | 0.2° |
| H10 | C10 | C11 | C18 | 178.9° | 179.8° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C18 | 0.9° | 0.0° |
| C12 | C13 | C14 | F15 | 179.8° | 180.0° |
| C12 | C13 | C14 | C16 | 1.4° | 0.1° |
| C14 | C13 | C12 | C11 | 1.2° | 0.0° |
| C14 | C13 | C12 | H12 | 178.8° | 179.9° |
| C13 | C14 | F15 | C16 | 178.8° | 179.9° |
| C13 | C14 | C16 | F17 | 179.1° | 180.0° |
| C13 | C14 | C16 | C18 | 1.3° | 0.1° |
| H13 | C13 | C12 | C11 | 178.8° | 179.8° |
| H13 | C13 | C12 | H12 | 1.2° | 0.3° |
| H13 | C13 | C14 | F15 | 0.2° | 0.2° |
| H13 | C13 | C14 | C16 | 178.6° | 179.7° |
| C19 | C20 | S21 | H20 | 180.0° | 179.7° |
| C20 | C19 | C28 | C22 | 0.3° | 0.0° |
| C19 | C20 | S21 | C22 | 0.2° | 0.0° |
| C20 | C19 | C28 | C05 | 177.5° | 180.0° |
| C20 | C19 | C28 | C27 | 179.7° | 180.0° |
| C20 | C19 | C05 | P02 | 90.2° | 25.3° |
| C20 | C19 | C05 | C06 | 39.3° | 94.7° |
| C20 | C19 | C05 | H05 | 155.0° | 145.3° |
| C20 | S21 | C22 | C28 | 0.4° | 0.0° |
| C20 | S21 | C22 | C23 | 179.5° | 180.0° |
| S21 | C20 | C19 | C28 | 0.0° | 0.0° |
| S21 | C20 | C19 | C05 | 177.4° | 180.0° |
| H20 | C20 | S21 | C22 | 179.8° | 179.7° |
| H20 | C20 | C19 | C28 | 180.0° | 179.7° |
| H20 | C20 | C19 | C05 | 2.6° | 0.3° |
| C28 | C22 | S21 | C23 | 179.2° | 180.0° |
| C28 | C22 | C23 | C24 | 0.8° | 0.0° |
| C22 | C28 | C19 | C27 | 179.4° | 180.0° |
| C22 | C28 | C19 | C05 | 177.8° | 180.0° |
| C28 | C22 | C23 | H23 | 179.3° | 180.0° |
| C22 | C28 | C27 | C25 | 0.9° | 0.0° |
| C22 | C28 | C27 | H27 | 179.1° | 179.9° |
| S21 | C22 | C23 | C24 | 179.8° | 180.0° |
| S21 | C22 | C28 | C19 | 0.4° | 0.0° |
| S21 | C22 | C28 | C27 | 179.9° | 180.0° |
| S21 | C22 | C23 | H23 | 0.2° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.6° | 0.0° |
| C22 | C23 | C24 | H24 | 179.4° | 180.0° |
| C23 | C22 | C28 | C19 | 179.6° | 180.0° |
| C23 | C22 | C28 | C27 | 0.9° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | CL26 | 177.7° | 180.0° |
| C23 | C24 | C25 | C27 | 0.7° | 0.1° |
| C24 | C25 | C27 | C28 | 0.9° | 0.0° |
| C25 | C24 | C23 | H23 | 179.4° | 180.0° |
| C24 | C25 | CL26 | C27 | 178.5° | 179.9° |
| C24 | C25 | C27 | H27 | 179.1° | 180.0° |
| H24 | C24 | C23 | H23 | 0.5° | 0.0° |
| H24 | C24 | C25 | CL26 | 2.3° | 0.0° |
| H24 | C24 | C25 | C27 | 179.3° | 180.0° |
| C28 | C19 | C05 | P02 | 92.8° | 154.7° |
| C28 | C19 | C05 | C06 | 137.7° | 85.3° |
| C28 | C19 | C05 | H05 | 22.0° | 34.7° |
| C19 | C28 | C27 | C25 | 179.7° | 180.0° |
| C19 | C28 | C27 | H27 | 0.3° | 0.0° |
| C27 | C28 | C19 | C05 | 2.8° | 0.0° |
| C28 | C27 | C25 | CL26 | 177.4° | 180.0° |
| C28 | C27 | C25 | H27 | 180.0° | 179.9° |
| P02 | C01 | H01 | H01A | 120.0° | 120.0° |
| P02 | C01 | H01 | H01B | 120.0° | 120.1° |
| P02 | C01 | H01A | H01B | 120.0° | 120.0° |
| C01 | P02 | O03 | O04 | 115.7° | 120.0° |
| C01 | P02 | O03 | C05 | 122.5° | 120.0° |
| C01 | P02 | O04 | C05 | 118.5° | 120.0° |
| C01 | P02 | C05 | C06 | 79.9° | 63.1° |
| C01 | P02 | C05 | C19 | 52.4° | 177.0° |
| C01 | P02 | C05 | H05 | 163.1° | 57.0° |
| C01 | P02 | O04 | H15 | 119.9° | 60.0° |
| H01 | C01 | H01A | H01B | 120.0° | 120.0° |
| H01 | C01 | P02 | O03 | 180.0° | 56.9° |
| H01 | C01 | P02 | O04 | 60.3° | 63.1° |
| H01 | C01 | P02 | C05 | 58.0° | 176.9° |
| H01A | C01 | P02 | O03 | 60.0° | 176.8° |
| H01A | C01 | P02 | O04 | 179.7° | 56.9° |
| H01A | C01 | P02 | C05 | 62.0° | 63.1° |
| H01B | C01 | P02 | O03 | 60.0° | 63.2° |
| H01B | C01 | P02 | O04 | 59.7° | 176.8° |
| H01B | C01 | P02 | C05 | 178.0° | 56.8° |
| O03 | P02 | O04 | C05 | 121.6° | 120.0° |
| O03 | P02 | C05 | C06 | 157.2° | 57.0° |
| O03 | P02 | C05 | C19 | 70.6° | 63.0° |
| O03 | P02 | C05 | H05 | 40.1° | 177.0° |
| O03 | P02 | O04 | H15 | 0.0° | 180.0° |
| O04 | P02 | C05 | C06 | 34.8° | 176.9° |
| O04 | P02 | C05 | C19 | 167.0° | 56.9° |
| O04 | P02 | C05 | H05 | 82.3° | 63.0° |
| P02 | C05 | C06 | C19 | 132.7° | 120.0° |
| P02 | C05 | C06 | H05 | 116.4° | 120.0° |
| P02 | C05 | C19 | H05 | 114.8° | 120.0° |
| P02 | C05 | C06 | O07 | 74.4° | 131.9° |
| P02 | C05 | C06 | N08 | 123.8° | 48.0° |
| C05 | P02 | O04 | H15 | 121.6° | 60.0° |
| C06 | C05 | C19 | H05 | 115.7° | 120.0° |
| C05 | C06 | O07 | N08 | 160.1° | 180.0° |
| C05 | C06 | N08 | C09 | 178.7° | 174.6° |
| C05 | C06 | N08 | HN08 | 1.3° | 5.3° |
| C19 | C05 | C06 | O07 | 58.3° | 108.0° |
| C19 | C05 | C06 | N08 | 103.5° | 72.0° |
| H05 | C05 | C06 | O07 | 169.3° | 11.9° |
| H05 | C05 | C06 | N08 | 7.5° | 168.0° |
| O07 | C06 | N08 | C09 | 16.5° | 5.5° |
| O07 | C06 | N08 | HN08 | 163.5° | 174.6° |
| C06 | N08 | C09 | HN08 | 180.0° | 179.9° |
| C06 | N08 | C09 | H09 | 8.2° | 0.0° |
| HN08 | N08 | C09 | H09 | 171.8° | 179.9° |
| C12 | C11 | C18 | C16 | 0.7° | 0.0° |
| C12 | C11 | C18 | H18 | 179.3° | 179.9° |
| C18 | C11 | C12 | H12 | 179.1° | 179.9° |
| C11 | C18 | C16 | C14 | 0.9° | 0.1° |
| C11 | C18 | C16 | F17 | 179.5° | 180.0° |
| C11 | C18 | C16 | H18 | 180.0° | 179.9° |
| F15 | C14 | C16 | F17 | 0.4° | 0.1° |
| F15 | C14 | C16 | C18 | 179.9° | 180.0° |
| C14 | C16 | F17 | C18 | 179.6° | 179.9° |
| C14 | C16 | C18 | H18 | 179.1° | 180.0° |
| F17 | C16 | C18 | H18 | 0.5° | 0.1° |
| CL26 | C25 | C27 | H27 | 2.5° | 0.1° |
