A1CP9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | S02 | doub | 1.42Å | 1.47Å | |
| O03 | S02 | doub | 1.42Å | 1.47Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | N05 | sing | 1.46Å | 1.45Å | |
| C07 | N08 | sing | 1.47Å | 1.46Å | |
| S02 | N05 | sing | 1.66Å | 1.71Å | |
| S02 | C01 | sing | 1.81Å | 1.82Å | |
| N08 | C09 | sing | 1.35Å | 1.46Å | |
| C09 | C11 | sing | 1.48Å | 1.53Å | |
| C09 | O10 | doub | 1.22Å | 1.19Å | |
| F20 | C17 | sing | 1.40Å | 1.36Å | |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | F19 | sing | 1.40Å | 1.36Å | |
| C17 | F18 | sing | 1.40Å | 1.36Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| N05 | H12 | sing | 0.97Å | 1.00Å | |
| N08 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | S02 | O03 | 101.1° | 121.0° |
| O04 | S02 | N05 | 112.2° | 104.3° |
| O04 | S02 | C01 | 111.0° | 110.5° |
| O03 | S02 | N05 | 111.5° | 104.3° |
| O03 | S02 | C01 | 110.7° | 110.6° |
| C07 | C06 | N05 | 108.1° | 109.4° |
| C06 | C07 | N08 | 115.9° | 109.4° |
| C07 | C06 | H6 | 109.8° | 109.5° |
| C07 | C06 | H7 | 109.8° | 109.5° |
| C06 | C07 | H8 | 107.8° | 109.5° |
| C06 | C07 | H9 | 107.8° | 109.5° |
| C06 | N05 | S02 | 121.1° | 120.0° |
| N05 | C06 | H6 | 109.8° | 109.5° |
| N05 | C06 | H7 | 109.8° | 109.5° |
| C06 | N05 | H12 | 106.5° | 120.1° |
| C07 | N08 | C09 | 125.9° | 120.0° |
| N08 | C07 | H8 | 107.8° | 109.5° |
| N08 | C07 | H9 | 107.8° | 109.4° |
| C07 | N08 | H13 | 117.1° | 120.0° |
| N05 | S02 | C01 | 110.0° | 104.4° |
| S02 | N05 | H12 | 106.5° | 120.0° |
| S02 | C01 | H3 | 109.5° | 109.5° |
| S02 | C01 | H4 | 109.5° | 109.5° |
| S02 | C01 | H5 | 109.5° | 109.5° |
| N08 | C09 | C11 | 118.3° | 120.0° |
| N08 | C09 | O10 | 122.6° | 120.0° |
| C09 | N08 | H13 | 117.1° | 120.1° |
| C11 | C09 | O10 | 119.1° | 120.0° |
| C09 | C11 | C12 | 120.2° | 120.1° |
| C09 | C11 | C16 | 119.8° | 120.2° |
| F20 | C17 | C14 | 109.5° | 109.5° |
| F20 | C17 | F19 | 109.1° | 109.5° |
| F20 | C17 | F18 | 109.7° | 109.5° |
| C11 | C12 | C13 | 119.9° | 119.8° |
| C12 | C11 | C16 | 120.1° | 119.7° |
| C11 | C12 | H10 | 120.1° | 120.1° |
| C12 | C13 | C14 | 119.7° | 120.1° |
| C12 | C13 | H1 | 120.2° | 119.9° |
| C13 | C12 | H10 | 120.1° | 120.1° |
| C11 | C16 | C15 | 120.3° | 119.9° |
| C11 | C16 | H11 | 119.8° | 120.1° |
| C13 | C14 | C15 | 120.5° | 120.3° |
| C13 | C14 | C17 | 119.6° | 119.8° |
| C14 | C13 | H1 | 120.1° | 119.9° |
| C16 | C15 | C14 | 119.5° | 120.2° |
| C16 | C15 | H2 | 120.3° | 119.9° |
| C15 | C16 | H11 | 119.9° | 120.1° |
| C15 | C14 | C17 | 119.9° | 119.9° |
| C14 | C15 | H2 | 120.2° | 119.9° |
| C14 | C17 | F19 | 110.4° | 109.5° |
| C14 | C17 | F18 | 108.6° | 109.5° |
| F19 | C17 | F18 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.4° | 109.4° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H6 | C06 | H7 | 109.5° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | S02 | O03 | N05 | 119.4° | 116.7° |
| O04 | S02 | O03 | C01 | 117.7° | 131.5° |
| O04 | S02 | N05 | C06 | 76.5° | 178.9° |
| O04 | S02 | N05 | C01 | 124.2° | 116.1° |
| O04 | S02 | C01 | H3 | 180.0° | 171.6° |
| O04 | S02 | C01 | H4 | 60.0° | 51.7° |
| O04 | S02 | C01 | H5 | 60.0° | 68.4° |
| O04 | S02 | N05 | H12 | 161.9° | 1.1° |
| O03 | S02 | N05 | C06 | 36.1° | 51.1° |
| O03 | S02 | N05 | C01 | 123.3° | 116.1° |
| O03 | S02 | C01 | H3 | 68.6° | 51.6° |
| O03 | S02 | C01 | H4 | 171.5° | 171.6° |
| O03 | S02 | C01 | H5 | 51.4° | 68.4° |
| O03 | S02 | N05 | H12 | 85.6° | 129.0° |
| C07 | C06 | N05 | H6 | 119.7° | 120.0° |
| C07 | C06 | N05 | H7 | 119.8° | 120.0° |
| C06 | C07 | N08 | H8 | 120.9° | 120.0° |
| C06 | C07 | N08 | H9 | 120.9° | 120.0° |
| C07 | C06 | N05 | S02 | 82.2° | 165.0° |
| C06 | C07 | N08 | C09 | 37.9° | 180.0° |
| C07 | C06 | H6 | H7 | 120.7° | 120.0° |
| C06 | C07 | H8 | H9 | 117.1° | 120.1° |
| C07 | C06 | N05 | H12 | 39.4° | 15.0° |
| C06 | C07 | N08 | H13 | 142.1° | 0.0° |
| N05 | C06 | C07 | N08 | 128.3° | 180.0° |
| C06 | N05 | S02 | H12 | 121.6° | 180.0° |
| C06 | N05 | S02 | C01 | 159.3° | 65.0° |
| N05 | C06 | H6 | H7 | 120.7° | 120.0° |
| N05 | C06 | C07 | H8 | 7.4° | 60.0° |
| N05 | C06 | C07 | H9 | 110.8° | 60.0° |
| C07 | N08 | C09 | H13 | 180.0° | 179.9° |
| C07 | N08 | C09 | C11 | 179.1° | 180.0° |
| C07 | N08 | C09 | O10 | 0.4° | 0.0° |
| N08 | C07 | C06 | H6 | 8.5° | 60.0° |
| N08 | C07 | C06 | H7 | 111.9° | 60.0° |
| N08 | C07 | H8 | H9 | 117.1° | 120.0° |
| N05 | S02 | C01 | H3 | 55.1° | 60.0° |
| N05 | S02 | C01 | H4 | 64.8° | 59.9° |
| N05 | S02 | C01 | H5 | 175.1° | 180.0° |
| S02 | N05 | C06 | H6 | 158.0° | 45.0° |
| S02 | N05 | C06 | H7 | 37.6° | 75.0° |
| S02 | C01 | H3 | H4 | 120.0° | 120.0° |
| S02 | C01 | H3 | H5 | 120.0° | 120.0° |
| S02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | S02 | N05 | H12 | 37.7° | 114.9° |
| N08 | C09 | C11 | O10 | 179.6° | 180.0° |
| N08 | C09 | C11 | C12 | 26.1° | 0.8° |
| N08 | C09 | C11 | C16 | 154.5° | 180.0° |
| C09 | N08 | C07 | H8 | 83.0° | 59.9° |
| C09 | N08 | C07 | H9 | 158.8° | 60.0° |
| C09 | C11 | C12 | C16 | 179.4° | 179.2° |
| C09 | C11 | C12 | C13 | 179.7° | 179.7° |
| C09 | C11 | C16 | C15 | 179.6° | 180.0° |
| C09 | C11 | C12 | H10 | 0.3° | 0.2° |
| C09 | C11 | C16 | H11 | 0.4° | 0.1° |
| C11 | C09 | N08 | H13 | 0.9° | 0.1° |
| O10 | C09 | C11 | C12 | 153.5° | 179.3° |
| O10 | C09 | C11 | C16 | 25.9° | 0.1° |
| O10 | C09 | N08 | H13 | 179.6° | 179.9° |
| F20 | C17 | C14 | C13 | 50.9° | 150.0° |
| F20 | C17 | C14 | C15 | 129.3° | 30.0° |
| F20 | C17 | C14 | F19 | 120.2° | 120.0° |
| F20 | C17 | C14 | F18 | 119.8° | 120.0° |
| F20 | C17 | F19 | F18 | 120.1° | 120.0° |
| C11 | C12 | C13 | H10 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C16 | C15 | 0.2° | 0.8° |
| C11 | C12 | C13 | H1 | 179.9° | 179.7° |
| C12 | C11 | C16 | H11 | 179.8° | 179.3° |
| C13 | C12 | C11 | C16 | 0.3° | 0.5° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.1° | 0.2° |
| C12 | C13 | C14 | C17 | 180.0° | 179.7° |
| C11 | C16 | C15 | H11 | 180.0° | 179.9° |
| C11 | C16 | C15 | C14 | 0.1° | 0.5° |
| C11 | C16 | C15 | H2 | 179.9° | 179.5° |
| C16 | C11 | C12 | H10 | 179.7° | 179.4° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | C17 | 179.9° | 179.9° |
| C13 | C14 | C17 | F19 | 171.1° | 90.0° |
| C13 | C14 | C17 | F18 | 68.9° | 30.0° |
| C13 | C14 | C15 | H2 | 179.8° | 180.0° |
| C14 | C13 | C12 | H10 | 179.9° | 179.9° |
| C16 | C15 | C14 | H2 | 180.0° | 180.0° |
| C16 | C15 | C14 | C17 | 179.9° | 180.0° |
| C15 | C14 | C17 | F19 | 9.0° | 90.0° |
| C15 | C14 | C17 | F18 | 111.0° | 150.0° |
| C15 | C14 | C13 | H1 | 179.9° | 180.0° |
| C14 | C15 | C16 | H11 | 179.9° | 179.6° |
| C14 | C17 | F19 | F18 | 119.5° | 120.0° |
| C17 | C14 | C13 | H1 | 0.0° | 0.1° |
| C17 | C14 | C15 | H2 | 0.1° | 0.1° |
| H1 | C13 | C12 | H10 | 0.1° | 0.3° |
| H2 | C15 | C16 | H11 | 0.1° | 0.4° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C06 | C07 | H8 | 112.4° | 60.0° |
| H6 | C06 | C07 | H9 | 129.5° | 179.9° |
| H6 | C06 | N05 | H12 | 80.4° | 135.0° |
| H7 | C06 | C07 | H8 | 127.2° | 180.0° |
| H7 | C06 | C07 | H9 | 9.0° | 60.0° |
| H7 | C06 | N05 | H12 | 159.2° | 104.9° |
| H8 | C07 | N08 | H13 | 97.0° | 120.0° |
| H9 | C07 | N08 | H13 | 21.2° | 120.0° |
