A1CPK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | C06 | sing | 1.43Å | 1.43Å | |
| C06 | C05 | sing | 1.53Å | 1.51Å | |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| C05 | O04 | sing | 1.43Å | 1.35Å | |
| CL12 | C11 | sing | 1.74Å | 1.81Å | |
| C10 | C11 | doub | 1.39Å | 1.36Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.45Å | Aromatic |
| C09 | C08 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C08 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | C02 | sing | 1.48Å | 1.52Å | |
| C02 | N03 | sing | 1.35Å | 1.48Å | |
| O04 | N03 | sing | 1.42Å | 1.41Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| N03 | H9 | sing | 0.97Å | 1.00Å | |
| O07 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C06 | C05 | 107.3° | 109.5° |
| O07 | C06 | H5 | 110.0° | 109.5° |
| O07 | C06 | H6 | 110.0° | 109.5° |
| C06 | O07 | H10 | 109.5° | 114.0° |
| C06 | C05 | O04 | 109.6° | 109.5° |
| C06 | C05 | H3 | 109.4° | 109.4° |
| C06 | C05 | H4 | 109.4° | 109.4° |
| C05 | C06 | H5 | 110.0° | 109.5° |
| C05 | C06 | H6 | 110.0° | 109.4° |
| O01 | C02 | C08 | 119.6° | 120.0° |
| O01 | C02 | N03 | 119.8° | 120.0° |
| C05 | O04 | N03 | 106.6° | 114.0° |
| O04 | C05 | H3 | 109.5° | 109.5° |
| O04 | C05 | H4 | 109.4° | 109.5° |
| CL12 | C11 | C10 | 119.2° | 119.9° |
| CL12 | C11 | C13 | 120.3° | 119.9° |
| C11 | C10 | C09 | 120.0° | 120.1° |
| C10 | C11 | C13 | 120.5° | 120.3° |
| C11 | C10 | H1 | 120.0° | 119.9° |
| C10 | C09 | C08 | 120.1° | 119.8° |
| C09 | C10 | H1 | 120.0° | 120.0° |
| C10 | C09 | H7 | 120.0° | 120.1° |
| C11 | C13 | C14 | 119.3° | 120.1° |
| C11 | C13 | H2 | 120.3° | 119.9° |
| C09 | C08 | C14 | 120.1° | 119.8° |
| C09 | C08 | C02 | 120.1° | 120.1° |
| C08 | C09 | H7 | 120.0° | 120.1° |
| C13 | C14 | C08 | 120.0° | 119.9° |
| C14 | C13 | H2 | 120.3° | 120.0° |
| C13 | C14 | H8 | 120.0° | 120.0° |
| C14 | C08 | C02 | 119.8° | 120.1° |
| C08 | C14 | H8 | 120.0° | 120.1° |
| C08 | C02 | N03 | 120.6° | 120.0° |
| C02 | N03 | O04 | 117.8° | 120.0° |
| C02 | N03 | H9 | 121.1° | 120.0° |
| O04 | N03 | H9 | 121.1° | 120.0° |
| H3 | C05 | H4 | 109.5° | 109.5° |
| H5 | C06 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C06 | C05 | H5 | 119.6° | 120.0° |
| O07 | C06 | C05 | H6 | 119.7° | 120.0° |
| O07 | C06 | C05 | O04 | 127.0° | 65.0° |
| O07 | C06 | C05 | H3 | 112.9° | 175.0° |
| O07 | C06 | C05 | H4 | 7.0° | 55.0° |
| O07 | C06 | H5 | H6 | 121.0° | 120.0° |
| C06 | C05 | O04 | H3 | 120.0° | 120.0° |
| C06 | C05 | O04 | H4 | 120.0° | 120.0° |
| C06 | C05 | O04 | N03 | 141.4° | 180.0° |
| C06 | C05 | H3 | H4 | 119.9° | 119.9° |
| C05 | C06 | H5 | H6 | 121.0° | 120.0° |
| C05 | C06 | O07 | H10 | 180.0° | 180.0° |
| O01 | C02 | C08 | C09 | 142.4° | 179.9° |
| O01 | C02 | C08 | C14 | 36.6° | 0.0° |
| O01 | C02 | C08 | N03 | 179.3° | 180.0° |
| O01 | C02 | N03 | O04 | 0.1° | 0.0° |
| O01 | C02 | N03 | H9 | 179.9° | 180.0° |
| C05 | O04 | N03 | C02 | 82.0° | 180.0° |
| O04 | C05 | H3 | H4 | 120.0° | 120.0° |
| O04 | C05 | C06 | H5 | 7.4° | 175.0° |
| O04 | C05 | C06 | H6 | 113.3° | 55.0° |
| C05 | O04 | N03 | H9 | 98.0° | 0.1° |
| CL12 | C11 | C10 | C13 | 179.9° | 180.0° |
| CL12 | C11 | C10 | C09 | 179.9° | 180.0° |
| CL12 | C11 | C13 | C14 | 179.9° | 180.0° |
| CL12 | C11 | C10 | H1 | 0.1° | 0.3° |
| CL12 | C11 | C13 | H2 | 0.1° | 0.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C08 | 0.5° | 0.0° |
| C10 | C11 | C13 | C14 | 0.0° | 0.0° |
| C10 | C11 | C13 | H2 | 180.0° | 180.0° |
| C11 | C10 | C09 | H7 | 179.5° | 180.0° |
| C09 | C10 | C11 | C13 | 0.2° | 0.0° |
| C10 | C09 | C08 | H7 | 180.0° | 180.0° |
| C10 | C09 | C08 | C14 | 0.7° | 0.1° |
| C10 | C09 | C08 | C02 | 179.6° | 179.9° |
| C11 | C13 | C14 | H2 | 180.0° | 180.0° |
| C11 | C13 | C14 | C08 | 0.2° | 0.1° |
| C13 | C11 | C10 | H1 | 179.8° | 179.7° |
| C11 | C13 | C14 | H8 | 179.8° | 180.0° |
| C09 | C08 | C14 | C13 | 0.5° | 0.1° |
| C09 | C08 | C14 | C02 | 178.9° | 179.9° |
| C09 | C08 | C02 | N03 | 36.9° | 0.1° |
| C08 | C09 | C10 | H1 | 179.5° | 179.7° |
| C09 | C08 | C14 | H8 | 179.5° | 180.0° |
| C13 | C14 | C08 | H8 | 180.0° | 179.9° |
| C13 | C14 | C08 | C02 | 179.5° | 180.0° |
| C14 | C08 | C02 | N03 | 144.2° | 180.0° |
| C08 | C14 | C13 | H2 | 179.8° | 179.9° |
| C14 | C08 | C09 | H7 | 179.3° | 179.9° |
| C08 | C02 | N03 | O04 | 179.1° | 180.0° |
| C02 | C08 | C09 | H7 | 0.4° | 0.1° |
| C02 | C08 | C14 | H8 | 0.5° | 0.1° |
| C08 | C02 | N03 | H9 | 0.9° | 0.0° |
| C02 | N03 | O04 | H9 | 180.0° | 180.0° |
| N03 | O04 | C05 | H3 | 21.4° | 60.0° |
| N03 | O04 | C05 | H4 | 98.6° | 60.0° |
| H1 | C10 | C09 | H7 | 0.5° | 0.3° |
| H2 | C13 | C14 | H8 | 0.2° | 0.0° |
| H3 | C05 | C06 | H5 | 127.4° | 55.0° |
| H3 | C05 | C06 | H6 | 6.7° | 65.0° |
| H4 | C05 | C06 | H5 | 112.6° | 65.0° |
| H4 | C05 | C06 | H6 | 126.7° | 175.0° |
| H5 | C06 | O07 | H10 | 60.3° | 60.0° |
| H6 | C06 | O07 | H10 | 60.3° | 60.0° |
