A1CFJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| O03 | S02 | doub | 1.42Å | 1.51Å | |
| C17 | N16 | doub | 1.32Å | 1.32Å | Aromatic |
| C05 | S02 | sing | 1.76Å | 1.81Å | |
| C05 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| S02 | O04 | doub | 1.42Å | 1.51Å | |
| S02 | O01 | sing | 1.52Å | 1.52Å | |
| N16 | C06 | sing | 1.33Å | 1.31Å | Aromatic |
| C06 | N07 | sing | 1.39Å | 1.46Å | |
| N07 | C08 | sing | 1.40Å | 1.45Å | |
| CL15 | C14 | sing | 1.74Å | 1.78Å | |
| C08 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| CL10 | C09 | sing | 1.74Å | 1.78Å | |
| C09 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| N07 | H7 | sing | 0.97Å | 1.00Å | |
| O01 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 119.1° | 119.3° |
| C18 | C19 | C05 | 118.0° | 118.5° |
| C19 | C18 | H4 | 120.4° | 120.3° |
| C18 | C19 | H6 | 121.0° | 120.7° |
| C18 | C17 | N16 | 121.3° | 120.9° |
| C18 | C17 | H3 | 119.4° | 119.6° |
| C17 | C18 | H4 | 120.5° | 120.3° |
| C19 | C05 | S02 | 119.8° | 120.5° |
| C19 | C05 | C06 | 119.7° | 119.1° |
| C05 | C19 | H6 | 121.0° | 120.8° |
| O03 | S02 | C05 | 110.6° | 106.4° |
| O03 | S02 | O04 | 101.4° | 123.2° |
| O03 | S02 | O01 | 111.8° | 106.4° |
| C17 | N16 | C06 | 121.4° | 121.6° |
| N16 | C17 | H3 | 119.3° | 119.5° |
| S02 | C05 | C06 | 120.5° | 120.4° |
| C05 | S02 | O04 | 110.1° | 106.4° |
| C05 | S02 | O01 | 110.9° | 107.2° |
| C05 | C06 | N16 | 120.6° | 120.6° |
| C05 | C06 | N07 | 120.1° | 119.7° |
| O04 | S02 | O01 | 111.6° | 106.4° |
| S02 | O01 | H8 | 109.5° | 114.0° |
| N16 | C06 | N07 | 119.3° | 119.7° |
| C06 | N07 | C08 | 119.5° | 120.0° |
| C06 | N07 | H7 | 120.3° | 120.0° |
| N07 | C08 | C14 | 120.4° | 120.1° |
| N07 | C08 | C09 | 120.5° | 120.1° |
| C08 | N07 | H7 | 120.3° | 120.0° |
| CL15 | C14 | C08 | 119.7° | 120.0° |
| CL15 | C14 | C13 | 119.7° | 120.0° |
| C14 | C08 | C09 | 119.1° | 119.8° |
| C08 | C14 | C13 | 120.5° | 120.0° |
| C08 | C09 | CL10 | 119.5° | 120.0° |
| C08 | C09 | C11 | 120.7° | 119.9° |
| C14 | C13 | C12 | 120.2° | 120.1° |
| C14 | C13 | H2 | 119.9° | 120.0° |
| CL10 | C09 | C11 | 119.8° | 120.1° |
| C09 | C11 | C12 | 119.9° | 120.1° |
| C09 | C11 | H5 | 120.0° | 119.9° |
| C13 | C12 | C11 | 119.5° | 120.1° |
| C13 | C12 | H1 | 120.2° | 119.9° |
| C12 | C13 | H2 | 119.9° | 119.9° |
| C11 | C12 | H1 | 120.2° | 120.0° |
| C12 | C11 | H5 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H4 | 180.0° | 179.9° |
| C18 | C19 | C05 | H6 | 180.0° | 180.0° |
| C19 | C18 | C17 | N16 | 0.2° | 0.0° |
| C18 | C19 | C05 | S02 | 179.6° | 179.7° |
| C18 | C19 | C05 | C06 | 0.2° | 0.2° |
| C19 | C18 | C17 | H3 | 179.8° | 179.7° |
| C17 | C18 | C19 | C05 | 0.1° | 0.0° |
| C18 | C17 | N16 | H3 | 180.0° | 179.7° |
| C18 | C17 | N16 | C06 | 0.0° | 0.2° |
| C17 | C18 | C19 | H6 | 179.9° | 180.0° |
| C19 | C05 | S02 | O03 | 12.2° | 84.0° |
| C19 | C05 | S02 | C06 | 179.5° | 179.5° |
| C19 | C05 | S02 | O04 | 99.0° | 143.1° |
| C19 | C05 | S02 | O01 | 136.9° | 29.5° |
| C19 | C05 | C06 | N16 | 0.4° | 0.4° |
| C19 | C05 | C06 | N07 | 179.9° | 179.5° |
| C05 | C19 | C18 | H4 | 179.9° | 180.0° |
| O03 | S02 | C05 | O04 | 111.2° | 132.9° |
| O03 | S02 | C05 | O01 | 124.7° | 113.5° |
| O03 | S02 | C05 | C06 | 168.3° | 96.5° |
| O03 | S02 | O04 | O01 | 119.2° | 122.9° |
| O03 | S02 | O01 | H8 | 112.8° | 66.5° |
| C17 | N16 | C06 | C05 | 0.4° | 0.5° |
| C17 | N16 | C06 | N07 | 179.9° | 179.4° |
| N16 | C17 | C18 | H4 | 179.8° | 180.0° |
| C05 | S02 | O04 | O01 | 123.7° | 114.1° |
| S02 | C05 | C06 | N16 | 179.9° | 180.0° |
| S02 | C05 | C06 | N07 | 0.6° | 0.1° |
| S02 | C05 | C19 | H6 | 0.4° | 0.2° |
| C05 | S02 | O01 | H8 | 123.2° | 180.0° |
| C06 | C05 | S02 | O04 | 80.5° | 36.5° |
| C06 | C05 | S02 | O01 | 43.6° | 150.1° |
| C05 | C06 | N16 | N07 | 179.5° | 179.9° |
| C05 | C06 | N07 | C08 | 171.7° | 175.3° |
| C06 | C05 | C19 | H6 | 179.8° | 179.8° |
| C05 | C06 | N07 | H7 | 8.3° | 4.8° |
| O04 | S02 | O01 | H8 | 0.0° | 66.5° |
| N16 | C06 | N07 | C08 | 7.8° | 4.7° |
| C06 | N16 | C17 | H3 | 180.0° | 180.0° |
| N16 | C06 | N07 | H7 | 172.2° | 175.3° |
| C06 | N07 | C08 | H7 | 180.0° | 179.9° |
| C06 | N07 | C08 | C14 | 79.3° | 79.4° |
| C06 | N07 | C08 | C09 | 101.0° | 100.6° |
| N07 | C08 | C14 | CL15 | 0.0° | 0.0° |
| N07 | C08 | C14 | C09 | 179.7° | 180.0° |
| N07 | C08 | C14 | C13 | 180.0° | 180.0° |
| N07 | C08 | C09 | CL10 | 0.6° | 0.0° |
| N07 | C08 | C09 | C11 | 179.9° | 179.8° |
| CL15 | C14 | C08 | C13 | 179.9° | 180.0° |
| CL15 | C14 | C08 | C09 | 179.8° | 180.0° |
| CL15 | C14 | C13 | C12 | 179.8° | 179.9° |
| CL15 | C14 | C13 | H2 | 0.2° | 0.0° |
| C14 | C08 | C09 | CL10 | 179.2° | 180.0° |
| C14 | C08 | C09 | C11 | 0.3° | 0.2° |
| C08 | C14 | C13 | C12 | 0.2° | 0.0° |
| C08 | C14 | C13 | H2 | 179.8° | 180.0° |
| C14 | C08 | N07 | H7 | 100.7° | 100.6° |
| C09 | C08 | C14 | C13 | 0.3° | 0.0° |
| C08 | C09 | CL10 | C11 | 179.5° | 179.8° |
| C08 | C09 | C11 | C12 | 0.3° | 0.6° |
| C08 | C09 | C11 | H5 | 179.7° | 180.0° |
| C09 | C08 | N07 | H7 | 79.0° | 79.4° |
| C14 | C13 | C12 | H2 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.2° | 0.4° |
| C14 | C13 | C12 | H1 | 179.8° | 180.0° |
| CL10 | C09 | C11 | C12 | 179.2° | 179.7° |
| CL10 | C09 | C11 | H5 | 0.8° | 0.2° |
| C09 | C11 | C12 | C13 | 0.2° | 0.6° |
| C09 | C11 | C12 | H5 | 180.0° | 179.4° |
| C09 | C11 | C12 | H1 | 179.8° | 179.7° |
| C13 | C12 | C11 | H1 | 180.0° | 179.7° |
| C13 | C12 | C11 | H5 | 179.8° | 180.0° |
| C11 | C12 | C13 | H2 | 179.8° | 179.7° |
| H1 | C12 | C13 | H2 | 0.2° | 0.0° |
| H1 | C12 | C11 | H5 | 0.2° | 0.3° |
| H3 | C17 | C18 | H4 | 0.2° | 0.2° |
| H4 | C18 | C19 | H6 | 0.1° | 0.1° |
