BWJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | P02 | doub | 1.48Å | 1.54Å | |
| O03 | P02 | sing | 1.61Å | 1.51Å | |
| O16 | P15 | doub | 1.48Å | 1.50Å | |
| P02 | O01 | sing | 1.61Å | 1.49Å | |
| P02 | C05 | sing | 1.82Å | 1.87Å | |
| O18 | P15 | sing | 1.61Å | 1.51Å | |
| P15 | C05 | sing | 1.82Å | 1.85Å | |
| P15 | O17 | sing | 1.61Å | 1.52Å | |
| C05 | N06 | sing | 1.46Å | 1.43Å | |
| N06 | C07 | sing | 1.40Å | 1.46Å | |
| C07 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.36Å | Aromatic |
| C14 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | CL2 | sing | 1.74Å | 1.80Å | |
| C09 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | CL1 | sing | 1.74Å | 1.74Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| O01 | H3 | sing | 0.97Å | 0.95Å | |
| O03 | H4 | sing | 0.97Å | 0.95Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| N06 | H6 | sing | 0.97Å | 1.00Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| O17 | H8 | sing | 0.97Å | 0.95Å | |
| O18 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | P02 | O03 | 109.6° | 109.5° |
| O04 | P02 | O01 | 109.4° | 109.5° |
| O04 | P02 | C05 | 109.5° | 109.5° |
| O03 | P02 | O01 | 109.6° | 109.5° |
| O03 | P02 | C05 | 109.4° | 109.4° |
| P02 | O03 | H4 | 109.5° | 113.9° |
| O16 | P15 | O18 | 109.6° | 109.5° |
| O16 | P15 | C05 | 109.4° | 109.4° |
| O16 | P15 | O17 | 109.4° | 109.5° |
| O01 | P02 | C05 | 109.4° | 109.5° |
| P02 | O01 | H3 | 109.5° | 114.0° |
| P02 | C05 | P15 | 115.1° | 109.5° |
| P02 | C05 | N06 | 107.6° | 109.5° |
| P02 | C05 | H5 | 107.0° | 109.4° |
| O18 | P15 | C05 | 109.4° | 109.5° |
| O18 | P15 | O17 | 109.6° | 109.5° |
| P15 | O18 | H9 | 109.5° | 114.0° |
| C05 | P15 | O17 | 109.4° | 109.5° |
| P15 | C05 | N06 | 107.6° | 109.5° |
| P15 | C05 | H5 | 107.2° | 109.5° |
| P15 | O17 | H8 | 109.5° | 114.0° |
| C05 | N06 | C07 | 120.7° | 120.0° |
| N06 | C05 | H5 | 112.5° | 109.5° |
| C05 | N06 | H6 | 106.6° | 120.0° |
| N06 | C07 | C14 | 120.7° | 120.1° |
| N06 | C07 | C08 | 119.3° | 120.0° |
| C07 | N06 | H6 | 106.6° | 120.0° |
| C14 | C07 | C08 | 119.9° | 119.9° |
| C07 | C14 | C12 | 119.6° | 119.9° |
| C07 | C14 | H2 | 120.2° | 120.0° |
| C07 | C08 | C09 | 120.3° | 119.9° |
| C07 | C08 | H7 | 119.9° | 120.1° |
| C14 | C12 | C11 | 119.8° | 120.0° |
| C14 | C12 | CL2 | 120.2° | 120.0° |
| C12 | C14 | H2 | 120.2° | 120.0° |
| C08 | C09 | C11 | 120.4° | 120.1° |
| C08 | C09 | CL1 | 119.6° | 120.0° |
| C09 | C08 | H7 | 119.9° | 120.0° |
| C11 | C12 | CL2 | 120.0° | 120.0° |
| C12 | C11 | C09 | 120.0° | 120.1° |
| C12 | C11 | H1 | 120.0° | 119.9° |
| C11 | C09 | CL1 | 120.0° | 119.9° |
| C09 | C11 | H1 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | P02 | O03 | O01 | 120.0° | 120.0° |
| O04 | P02 | O03 | C05 | 120.1° | 120.0° |
| O04 | P02 | O01 | C05 | 119.9° | 120.0° |
| O04 | P02 | C05 | P15 | 47.9° | 60.0° |
| O04 | P02 | C05 | N06 | 72.0° | 180.0° |
| O04 | P02 | O01 | H3 | 0.0° | 180.0° |
| O04 | P02 | O03 | H4 | 0.0° | 60.0° |
| O04 | P02 | C05 | H5 | 166.9° | 60.0° |
| O03 | P02 | O01 | C05 | 120.0° | 120.0° |
| O03 | P02 | C05 | P15 | 72.2° | 60.0° |
| O03 | P02 | C05 | N06 | 167.9° | 60.0° |
| O03 | P02 | O01 | H3 | 120.1° | 60.0° |
| O03 | P02 | C05 | H5 | 46.8° | 180.0° |
| O16 | P15 | C05 | P02 | 45.9° | 180.0° |
| O16 | P15 | O18 | C05 | 120.0° | 120.0° |
| O16 | P15 | O18 | O17 | 120.0° | 120.0° |
| O16 | P15 | C05 | O17 | 119.9° | 120.0° |
| O16 | P15 | C05 | N06 | 73.9° | 60.0° |
| O16 | P15 | C05 | H5 | 164.8° | 60.1° |
| O16 | P15 | O17 | H8 | 0.0° | 180.0° |
| O16 | P15 | O18 | H9 | 0.0° | 60.0° |
| O01 | P02 | C05 | P15 | 167.7° | 180.0° |
| O01 | P02 | C05 | N06 | 47.8° | 60.0° |
| O01 | P02 | O03 | H4 | 120.0° | 60.0° |
| O01 | P02 | C05 | H5 | 73.2° | 60.0° |
| P02 | C05 | P15 | O18 | 74.1° | 60.0° |
| P02 | C05 | P15 | N06 | 119.9° | 120.0° |
| P02 | C05 | P15 | H5 | 118.9° | 119.9° |
| P02 | C05 | P15 | O17 | 165.8° | 60.0° |
| P02 | C05 | N06 | H5 | 117.6° | 120.0° |
| P02 | C05 | N06 | C07 | 131.1° | 75.0° |
| C05 | P02 | O01 | H3 | 119.9° | 60.0° |
| C05 | P02 | O03 | H4 | 120.1° | 180.0° |
| P02 | C05 | N06 | H6 | 9.5° | 105.0° |
| O18 | P15 | C05 | O17 | 120.1° | 120.0° |
| O18 | P15 | C05 | N06 | 166.0° | 180.0° |
| O18 | P15 | C05 | H5 | 44.8° | 60.0° |
| O18 | P15 | O17 | H8 | 120.2° | 60.0° |
| P15 | C05 | N06 | H5 | 117.9° | 120.1° |
| P15 | C05 | N06 | C07 | 104.4° | 165.0° |
| P15 | C05 | N06 | H6 | 134.1° | 14.9° |
| C05 | P15 | O17 | H8 | 119.8° | 60.1° |
| C05 | P15 | O18 | H9 | 120.0° | 180.0° |
| O17 | P15 | C05 | N06 | 45.9° | 60.0° |
| O17 | P15 | C05 | H5 | 75.3° | 180.0° |
| O17 | P15 | O18 | H9 | 120.0° | 60.0° |
| C05 | N06 | C07 | H6 | 121.6° | 179.9° |
| C05 | N06 | C07 | C14 | 9.5° | 180.0° |
| C05 | N06 | C07 | C08 | 172.9° | 0.1° |
| N06 | C07 | C14 | C08 | 177.6° | 180.0° |
| N06 | C07 | C14 | C12 | 179.0° | 180.0° |
| N06 | C07 | C08 | C09 | 178.9° | 179.8° |
| N06 | C07 | C14 | H2 | 1.0° | 0.1° |
| C07 | N06 | C05 | H5 | 13.5° | 45.0° |
| N06 | C07 | C08 | H7 | 1.1° | 0.1° |
| C07 | C14 | C12 | H2 | 180.0° | 179.9° |
| C14 | C07 | C08 | C09 | 1.2° | 0.2° |
| C07 | C14 | C12 | C11 | 0.7° | 0.0° |
| C07 | C14 | C12 | CL2 | 179.6° | 180.0° |
| C14 | C07 | N06 | H6 | 112.0° | 0.0° |
| C14 | C07 | C08 | H7 | 178.8° | 180.0° |
| C08 | C07 | C14 | C12 | 1.4° | 0.0° |
| C07 | C08 | C09 | H7 | 180.0° | 179.8° |
| C07 | C08 | C09 | C11 | 0.4° | 0.5° |
| C07 | C08 | C09 | CL1 | 180.0° | 180.0° |
| C08 | C07 | C14 | H2 | 178.6° | 179.9° |
| C08 | C07 | N06 | H6 | 65.6° | 180.0° |
| C14 | C12 | C11 | CL2 | 179.8° | 179.9° |
| C14 | C12 | C11 | C09 | 0.2° | 0.3° |
| C14 | C12 | C11 | H1 | 179.8° | 180.0° |
| C08 | C09 | C11 | C12 | 0.4° | 0.5° |
| C08 | C09 | C11 | CL1 | 179.6° | 179.6° |
| C08 | C09 | C11 | H1 | 179.6° | 179.8° |
| C12 | C11 | C09 | H1 | 180.0° | 179.7° |
| C12 | C11 | C09 | CL1 | 179.2° | 179.9° |
| C11 | C12 | C14 | H2 | 179.3° | 179.9° |
| CL2 | C12 | C11 | C09 | 179.5° | 179.8° |
| CL2 | C12 | C11 | H1 | 0.5° | 0.0° |
| CL2 | C12 | C14 | H2 | 0.4° | 0.0° |
| C11 | C09 | C08 | H7 | 179.6° | 179.7° |
| CL1 | C09 | C11 | H1 | 0.8° | 0.2° |
| CL1 | C09 | C08 | H7 | 0.0° | 0.2° |
| H5 | C05 | N06 | H6 | 108.1° | 135.0° |
