N6O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.35Å | 1.32Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| CL | C7 | sing | 1.74Å | 1.73Å | |
| C8 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| N1 | C9 | sing | 1.35Å | 1.34Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | N2 | sing | 1.34Å | 1.33Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.47Å | |
| C9 | O | doub | 1.22Å | 1.24Å | |
| N2 | N3 | sing | 1.40Å | 1.35Å | Aromatic |
| C10 | C12 | sing | 1.47Å | 1.41Å | Aromatic |
| N3 | C12 | doub | 1.31Å | 1.34Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.48Å | |
| F | C18 | sing | 1.35Å | 1.35Å | |
| C13 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C1 | 116.3° | 120.0° |
| N | C | O1 | 123.1° | 120.0° |
| C | N | H10 | 120.0° | 120.0° |
| C | N | H11 | 120.0° | 120.1° |
| C1 | C | O1 | 120.4° | 120.0° |
| C | C1 | C2 | 109.8° | 109.5° |
| C | C1 | H4 | 109.4° | 109.5° |
| C | C1 | H5 | 109.4° | 109.5° |
| C1 | C2 | C3 | 110.5° | 109.5° |
| C1 | C2 | N1 | 109.5° | 109.5° |
| C2 | C1 | H4 | 109.4° | 109.5° |
| C2 | C1 | H5 | 109.4° | 109.5° |
| C1 | C2 | H9 | 108.0° | 109.5° |
| C3 | C2 | N1 | 112.0° | 109.5° |
| C2 | C3 | C8 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.8° | 120.0° |
| C3 | C2 | H9 | 108.1° | 109.5° |
| C2 | N1 | C9 | 120.5° | 120.0° |
| C2 | N1 | H1 | 119.8° | 120.0° |
| N1 | C2 | H9 | 108.7° | 109.5° |
| CL | C7 | C8 | 118.8° | 120.0° |
| CL | C7 | C6 | 119.3° | 120.0° |
| C3 | C8 | C7 | 119.6° | 120.0° |
| C8 | C3 | C4 | 119.1° | 120.0° |
| C3 | C8 | H2 | 120.2° | 120.0° |
| C8 | C7 | C6 | 121.9° | 120.0° |
| C7 | C8 | H2 | 120.2° | 120.0° |
| C3 | C4 | C5 | 120.6° | 120.0° |
| C3 | C4 | H8 | 119.7° | 120.0° |
| C7 | C6 | C5 | 118.5° | 120.0° |
| C7 | C6 | H7 | 120.8° | 120.0° |
| N1 | C9 | C10 | 116.2° | 120.0° |
| N1 | C9 | O | 122.8° | 120.0° |
| C9 | N1 | H1 | 119.8° | 120.0° |
| C6 | C5 | C4 | 120.3° | 120.0° |
| C6 | C5 | H6 | 119.9° | 119.9° |
| C5 | C6 | H7 | 120.7° | 120.1° |
| C4 | C5 | H6 | 119.8° | 120.0° |
| C5 | C4 | H8 | 119.7° | 120.0° |
| N2 | C11 | C10 | 107.2° | 107.9° |
| C11 | N2 | N3 | 112.9° | 109.7° |
| C11 | N2 | H3 | 123.6° | 125.2° |
| N2 | C11 | H12 | 126.4° | 126.1° |
| C11 | C10 | C9 | 127.4° | 126.8° |
| C11 | C10 | C12 | 104.3° | 106.4° |
| C10 | C11 | H12 | 126.4° | 126.0° |
| C10 | C9 | O | 121.0° | 120.0° |
| C9 | C10 | C12 | 128.2° | 126.8° |
| N2 | N3 | C12 | 104.4° | 109.1° |
| N3 | N2 | H3 | 123.6° | 125.1° |
| C10 | C12 | N3 | 111.3° | 107.0° |
| C10 | C12 | C13 | 128.8° | 126.5° |
| N3 | C12 | C13 | 119.8° | 126.5° |
| C12 | C13 | C18 | 122.6° | 120.2° |
| C12 | C13 | C14 | 120.3° | 120.1° |
| F | C18 | C13 | 119.0° | 120.1° |
| F | C18 | C17 | 117.8° | 120.1° |
| C18 | C13 | C14 | 117.1° | 119.7° |
| C13 | C18 | C17 | 123.2° | 119.8° |
| C13 | C14 | C15 | 120.5° | 119.9° |
| C13 | C14 | H16 | 119.7° | 120.0° |
| C18 | C17 | C16 | 118.5° | 120.1° |
| C18 | C17 | H13 | 120.8° | 120.0° |
| C14 | C15 | C16 | 120.5° | 120.2° |
| C14 | C15 | H15 | 119.8° | 119.9° |
| C15 | C14 | H16 | 119.8° | 120.1° |
| C17 | C16 | C15 | 120.3° | 120.3° |
| C16 | C17 | H13 | 120.8° | 120.0° |
| C17 | C16 | H14 | 119.9° | 119.8° |
| C15 | C16 | H14 | 119.8° | 119.8° |
| C16 | C15 | H15 | 119.8° | 119.9° |
| H4 | C1 | H5 | 109.5° | 109.4° |
| H10 | N | H11 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C1 | O1 | 175.3° | 180.0° |
| N | C | C1 | C2 | 125.2° | 173.5° |
| N | C | C1 | H4 | 114.7° | 66.5° |
| N | C | C1 | H5 | 5.2° | 53.5° |
| C | N | H10 | H11 | 180.0° | 179.9° |
| C | C1 | C2 | H4 | 120.0° | 120.0° |
| C | C1 | C2 | H5 | 120.0° | 120.0° |
| C | C1 | C2 | C3 | 166.9° | 66.2° |
| C | C1 | C2 | N1 | 69.3° | 173.7° |
| C | C1 | H4 | H5 | 119.8° | 120.0° |
| C | C1 | C2 | H9 | 48.8° | 53.7° |
| C1 | C | N | H10 | 175.2° | 0.0° |
| C1 | C | N | H11 | 4.8° | 179.9° |
| O1 | C | C1 | C2 | 50.1° | 6.5° |
| O1 | C | C1 | H4 | 69.9° | 113.5° |
| O1 | C | C1 | H5 | 170.2° | 126.5° |
| O1 | C | N | H10 | 0.0° | 179.9° |
| O1 | C | N | H11 | 180.0° | 0.1° |
| C1 | C2 | C3 | N1 | 122.3° | 120.0° |
| C1 | C2 | C3 | H9 | 118.0° | 120.0° |
| C1 | C2 | N1 | H9 | 117.7° | 120.0° |
| C1 | C2 | C3 | C8 | 92.6° | 100.0° |
| C1 | C2 | C3 | C4 | 82.8° | 80.0° |
| C1 | C2 | N1 | C9 | 155.2° | 88.9° |
| C1 | C2 | N1 | H1 | 24.8° | 90.8° |
| C2 | C1 | H4 | H5 | 119.9° | 120.0° |
| C3 | C2 | N1 | H9 | 119.4° | 120.0° |
| C2 | C3 | C8 | C4 | 175.4° | 180.0° |
| C2 | C3 | C8 | C7 | 174.8° | 180.0° |
| C3 | C2 | N1 | C9 | 81.8° | 151.1° |
| C2 | C3 | C4 | C5 | 174.0° | 180.0° |
| C3 | C2 | N1 | H1 | 98.2° | 29.2° |
| C2 | C3 | C8 | H2 | 5.2° | 0.0° |
| C3 | C2 | C1 | H4 | 46.9° | 173.7° |
| C3 | C2 | C1 | H5 | 73.1° | 53.7° |
| C2 | C3 | C4 | H8 | 6.0° | 0.0° |
| N1 | C2 | C3 | C8 | 29.7° | 140.0° |
| N1 | C2 | C3 | C4 | 154.9° | 40.0° |
| C2 | N1 | C9 | H1 | 180.0° | 179.7° |
| C2 | N1 | C9 | C10 | 168.2° | 175.4° |
| C2 | N1 | C9 | O | 10.7° | 4.6° |
| N1 | C2 | C1 | H4 | 170.7° | 53.7° |
| N1 | C2 | C1 | H5 | 50.7° | 66.3° |
| CL | C7 | C8 | C3 | 179.6° | 179.7° |
| CL | C7 | C8 | C6 | 179.0° | 179.7° |
| CL | C7 | C6 | C5 | 180.0° | 179.7° |
| CL | C7 | C8 | H2 | 0.4° | 0.3° |
| CL | C7 | C6 | H7 | 0.0° | 0.3° |
| C3 | C8 | C7 | H2 | 180.0° | 180.0° |
| C3 | C8 | C7 | C6 | 0.5° | 0.0° |
| C8 | C3 | C4 | C5 | 1.4° | 0.0° |
| C8 | C3 | C4 | H8 | 178.6° | 180.0° |
| C8 | C3 | C2 | H9 | 149.4° | 20.0° |
| C7 | C8 | C3 | C4 | 0.7° | 0.0° |
| C8 | C7 | C6 | C5 | 1.0° | 0.0° |
| C8 | C7 | C6 | H7 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.1° |
| C3 | C4 | C5 | H8 | 180.0° | 179.9° |
| C4 | C3 | C8 | H2 | 179.3° | 180.0° |
| C3 | C4 | C5 | H6 | 179.1° | 180.0° |
| C4 | C3 | C2 | H9 | 35.2° | 160.0° |
| C7 | C6 | C5 | H7 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.3° | 0.1° |
| C6 | C7 | C8 | H2 | 179.5° | 180.0° |
| C7 | C6 | C5 | H6 | 179.7° | 180.0° |
| N1 | C9 | C10 | C11 | 14.7° | 3.0° |
| N1 | C9 | C10 | O | 178.9° | 180.0° |
| N1 | C9 | C10 | C12 | 169.1° | 177.3° |
| C9 | N1 | C2 | H9 | 37.5° | 31.1° |
| C6 | C5 | C4 | H6 | 180.0° | 179.9° |
| C6 | C5 | C4 | H8 | 179.0° | 180.0° |
| C4 | C5 | C6 | H7 | 179.7° | 179.9° |
| N2 | C11 | C10 | H12 | 180.0° | 179.5° |
| N2 | C11 | C10 | C9 | 177.4° | 179.8° |
| C11 | N2 | N3 | H3 | 180.0° | 179.7° |
| N2 | C11 | C10 | C12 | 0.5° | 0.4° |
| C11 | N2 | N3 | C12 | 0.8° | 0.3° |
| C11 | C10 | C9 | C12 | 176.2° | 179.7° |
| C11 | C10 | C9 | O | 164.2° | 177.0° |
| C10 | C11 | N2 | N3 | 0.2° | 0.5° |
| C11 | C10 | C12 | N3 | 1.0° | 0.3° |
| C11 | C10 | C12 | C13 | 175.1° | 179.7° |
| C10 | C11 | N2 | H3 | 179.8° | 179.8° |
| C9 | C10 | C12 | N3 | 177.9° | 180.0° |
| C9 | C10 | C12 | C13 | 1.8° | 0.1° |
| C10 | C9 | N1 | H1 | 11.8° | 4.9° |
| C9 | C10 | C11 | H12 | 2.6° | 0.3° |
| O | C9 | C10 | C12 | 11.9° | 2.7° |
| O | C9 | N1 | H1 | 169.3° | 175.1° |
| N2 | N3 | C12 | C10 | 1.1° | 0.0° |
| N2 | N3 | C12 | C13 | 175.4° | 180.0° |
| N3 | N2 | C11 | H12 | 179.8° | 180.0° |
| C10 | C12 | N3 | C13 | 176.5° | 180.0° |
| C10 | C12 | C13 | C18 | 62.2° | 130.7° |
| C10 | C12 | C13 | C14 | 115.9° | 49.6° |
| C12 | C10 | C11 | H12 | 179.6° | 179.9° |
| N3 | C12 | C13 | C18 | 122.0° | 49.4° |
| N3 | C12 | C13 | C14 | 59.9° | 130.3° |
| C12 | N3 | N2 | H3 | 179.2° | 180.0° |
| C12 | C13 | C18 | F | 4.3° | 0.0° |
| C12 | C13 | C18 | C14 | 178.1° | 179.7° |
| C12 | C13 | C18 | C17 | 176.5° | 180.0° |
| C12 | C13 | C14 | C15 | 176.8° | 179.7° |
| C12 | C13 | C14 | H16 | 3.2° | 0.0° |
| F | C18 | C13 | C17 | 179.2° | 179.9° |
| F | C18 | C13 | C14 | 177.6° | 179.7° |
| F | C18 | C17 | C16 | 178.6° | 180.0° |
| F | C18 | C17 | H13 | 1.4° | 0.0° |
| C18 | C13 | C14 | C15 | 1.4° | 0.6° |
| C13 | C18 | C17 | C16 | 0.6° | 0.0° |
| C13 | C18 | C17 | H13 | 179.4° | 180.0° |
| C18 | C13 | C14 | H16 | 178.6° | 179.7° |
| C14 | C13 | C18 | C17 | 1.6° | 0.3° |
| C13 | C14 | C15 | H16 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 0.2° | 0.6° |
| C13 | C14 | C15 | H15 | 179.8° | 179.7° |
| C18 | C17 | C16 | H13 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.7° | 0.0° |
| C18 | C17 | C16 | H14 | 179.3° | 180.0° |
| C14 | C15 | C16 | C17 | 0.9° | 0.3° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C14 | C15 | C16 | H14 | 179.1° | 179.7° |
| C17 | C16 | C15 | H14 | 180.0° | 180.0° |
| C17 | C16 | C15 | H15 | 179.1° | 180.0° |
| C15 | C16 | C17 | H13 | 179.3° | 180.0° |
| C16 | C15 | C14 | H16 | 179.8° | 179.7° |
| H1 | N1 | C2 | H9 | 142.5° | 149.2° |
| H3 | N2 | C11 | H12 | 0.2° | 0.3° |
| H4 | C1 | C2 | H9 | 71.2° | 66.3° |
| H5 | C1 | C2 | H9 | 168.9° | 173.7° |
| H6 | C5 | C6 | H7 | 0.3° | 0.0° |
| H6 | C5 | C4 | H8 | 0.9° | 0.1° |
| H13 | C17 | C16 | H14 | 0.7° | 0.1° |
| H14 | C16 | C15 | H15 | 0.9° | 0.0° |
| H15 | C15 | C14 | H16 | 0.2° | 0.0° |
