WCG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | P26 | doub | 1.48Å | 1.51Å | |
| O24 | P22 | doub | 1.48Å | 1.54Å | |
| O19 | P18 | doub | 1.48Å | 1.47Å | |
| O20 | P18 | sing | 1.61Å | 1.56Å | |
| P26 | O25 | sing | 1.61Å | 1.65Å | |
| P26 | O27 | sing | 1.61Å | 1.50Å | |
| P26 | O28 | sing | 1.61Å | 1.50Å | |
| O25 | P22 | sing | 1.61Å | 1.64Å | |
| O21 | P18 | sing | 1.61Å | 1.67Å | |
| O21 | P22 | sing | 1.61Å | 1.71Å | |
| P18 | O17 | sing | 1.61Å | 1.66Å | |
| P22 | O23 | sing | 1.61Å | 1.50Å | |
| C01 | O02 | sing | 1.43Å | 1.46Å | |
| O02 | C03 | sing | 1.36Å | 1.44Å | |
| O17 | C16 | sing | 1.43Å | 1.45Å | |
| C03 | C04 | doub | 1.37Å | 1.44Å | Aromatic |
| C03 | C12 | sing | 1.40Å | 1.34Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.36Å | Aromatic |
| O14 | C13 | sing | 1.44Å | 1.31Å | |
| O14 | C15 | sing | 1.44Å | 1.63Å | |
| C16 | C15 | sing | 1.53Å | 1.47Å | |
| C12 | C13 | sing | 1.51Å | 1.57Å | |
| C12 | C11 | doub | 1.36Å | 1.39Å | Aromatic |
| C13 | C32 | sing | 1.54Å | 1.56Å | |
| C05 | C06 | doub | 1.41Å | 1.50Å | Aromatic |
| C05 | C10 | sing | 1.42Å | 1.37Å | Aromatic |
| C06 | C07 | sing | 1.36Å | 1.36Å | Aromatic |
| C15 | C30 | sing | 1.55Å | 1.30Å | |
| C11 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.49Å | Aromatic |
| C07 | C08 | doub | 1.39Å | 1.49Å | Aromatic |
| C30 | C32 | sing | 1.55Å | 1.54Å | |
| C30 | O31 | sing | 1.43Å | 1.49Å | |
| C32 | O33 | sing | 1.43Å | 1.35Å | |
| C09 | C08 | sing | 1.36Å | 1.38Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| O20 | H16 | sing | 0.97Å | 0.95Å | |
| O23 | H17 | sing | 0.97Å | 0.95Å | |
| O27 | H18 | sing | 0.97Å | 0.95Å | |
| O28 | H19 | sing | 0.97Å | 0.95Å | |
| O31 | H20 | sing | 0.97Å | 0.95Å | |
| O33 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | P26 | O25 | 108.1° | 109.4° |
| O29 | P26 | O27 | 110.3° | 109.5° |
| O29 | P26 | O28 | 109.9° | 109.5° |
| O24 | P22 | O25 | 107.2° | 109.5° |
| O24 | P22 | O21 | 106.9° | 109.5° |
| O24 | P22 | O23 | 109.5° | 109.5° |
| O19 | P18 | O20 | 110.4° | 109.5° |
| O19 | P18 | O21 | 110.2° | 109.4° |
| O19 | P18 | O17 | 109.6° | 109.5° |
| O20 | P18 | O21 | 108.5° | 109.5° |
| O20 | P18 | O17 | 108.8° | 109.5° |
| P18 | O20 | H16 | 109.5° | 114.0° |
| O25 | P26 | O27 | 111.3° | 109.5° |
| O25 | P26 | O28 | 108.1° | 109.5° |
| P26 | O25 | P22 | 116.5° | 134.0° |
| O27 | P26 | O28 | 109.1° | 109.5° |
| P26 | O27 | H18 | 109.5° | 114.0° |
| P26 | O28 | H19 | 109.5° | 114.0° |
| O25 | P22 | O21 | 114.1° | 109.4° |
| O25 | P22 | O23 | 108.0° | 109.5° |
| P18 | O21 | P22 | 119.4° | 134.0° |
| O21 | P18 | O17 | 109.4° | 109.5° |
| O21 | P22 | O23 | 111.0° | 109.5° |
| P18 | O17 | C16 | 118.8° | 123.0° |
| P22 | O23 | H17 | 109.5° | 114.0° |
| C01 | O02 | C03 | 111.2° | 117.0° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.5° | 109.4° |
| O02 | C01 | H3 | 109.4° | 109.5° |
| O02 | C03 | C04 | 117.8° | 119.6° |
| O02 | C03 | C12 | 122.4° | 119.5° |
| O17 | C16 | C15 | 109.2° | 109.5° |
| O17 | C16 | H12 | 109.5° | 109.5° |
| O17 | C16 | H13 | 109.6° | 109.4° |
| C04 | C03 | C12 | 119.7° | 120.9° |
| C03 | C04 | C05 | 120.4° | 119.6° |
| C03 | C04 | H4 | 119.8° | 120.1° |
| C03 | C12 | C13 | 123.4° | 119.5° |
| C03 | C12 | C11 | 119.1° | 120.9° |
| C04 | C05 | C06 | 120.3° | 121.2° |
| C04 | C05 | C10 | 119.8° | 119.4° |
| C05 | C04 | H4 | 119.8° | 120.2° |
| C13 | O14 | C15 | 101.9° | 107.0° |
| O14 | C13 | C12 | 114.9° | 109.9° |
| O14 | C13 | C32 | 103.8° | 107.3° |
| O14 | C13 | H10 | 112.2° | 110.0° |
| O14 | C15 | C16 | 113.9° | 110.8° |
| O14 | C15 | C30 | 101.1° | 103.4° |
| O14 | C15 | H11 | 108.0° | 110.6° |
| C16 | C15 | C30 | 111.1° | 110.6° |
| C16 | C15 | H11 | 109.9° | 110.6° |
| C15 | C16 | H12 | 109.6° | 109.4° |
| C15 | C16 | H13 | 109.6° | 109.5° |
| C13 | C12 | C11 | 117.5° | 119.6° |
| C12 | C13 | C32 | 108.9° | 109.8° |
| C12 | C13 | H10 | 108.3° | 109.9° |
| C12 | C11 | C10 | 121.1° | 119.8° |
| C12 | C11 | H9 | 119.5° | 120.1° |
| C13 | C32 | C30 | 104.5° | 104.1° |
| C13 | C32 | O33 | 109.8° | 110.5° |
| C32 | C13 | H10 | 108.5° | 109.9° |
| C13 | C32 | H15 | 109.9° | 110.5° |
| C06 | C05 | C10 | 119.9° | 119.3° |
| C05 | C06 | C07 | 120.0° | 119.7° |
| C05 | C06 | H5 | 120.0° | 120.2° |
| C05 | C10 | C11 | 120.0° | 119.4° |
| C05 | C10 | C09 | 120.0° | 119.4° |
| C06 | C07 | C08 | 120.2° | 121.0° |
| C07 | C06 | H5 | 120.0° | 120.1° |
| C06 | C07 | H6 | 119.9° | 119.6° |
| C15 | C30 | C32 | 100.0° | 102.2° |
| C15 | C30 | O31 | 110.5° | 110.9° |
| C30 | C15 | H11 | 112.7° | 110.6° |
| C15 | C30 | H14 | 113.8° | 110.9° |
| C11 | C10 | C09 | 120.0° | 121.2° |
| C10 | C11 | H9 | 119.4° | 120.1° |
| C10 | C09 | C08 | 120.0° | 119.7° |
| C10 | C09 | H8 | 120.0° | 120.2° |
| C07 | C08 | C09 | 119.9° | 120.9° |
| C08 | C07 | H6 | 119.9° | 119.4° |
| C07 | C08 | H7 | 120.0° | 119.6° |
| C32 | C30 | O31 | 111.7° | 110.9° |
| C30 | C32 | O33 | 109.2° | 110.5° |
| C32 | C30 | H14 | 109.9° | 110.9° |
| C30 | C32 | H15 | 110.1° | 110.5° |
| O31 | C30 | H14 | 110.6° | 110.8° |
| C30 | O31 | H20 | 109.5° | 114.0° |
| O33 | C32 | H15 | 113.0° | 110.5° |
| C32 | O33 | H21 | 109.5° | 114.0° |
| C09 | C08 | H7 | 120.0° | 119.5° |
| C08 | C09 | H8 | 120.0° | 120.1° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | P26 | O25 | O27 | 121.3° | 120.0° |
| O29 | P26 | O25 | O28 | 118.9° | 120.0° |
| O29 | P26 | O27 | O28 | 120.8° | 120.0° |
| O29 | P26 | O25 | P22 | 85.3° | 40.0° |
| O29 | P26 | O27 | H18 | 0.0° | 180.0° |
| O29 | P26 | O28 | H19 | 0.0° | 60.0° |
| O24 | P22 | O25 | P26 | 46.3° | 45.0° |
| O24 | P22 | O25 | O21 | 118.1° | 120.0° |
| O24 | P22 | O25 | O23 | 117.9° | 120.0° |
| O24 | P22 | O21 | P18 | 57.8° | 40.0° |
| O24 | P22 | O21 | O23 | 119.4° | 120.0° |
| O24 | P22 | O23 | H17 | 0.0° | 180.0° |
| O19 | P18 | O20 | O21 | 120.8° | 120.0° |
| O19 | P18 | O20 | O17 | 120.2° | 120.0° |
| O19 | P18 | O21 | O17 | 120.5° | 120.0° |
| O19 | P18 | O21 | P22 | 148.4° | 45.0° |
| O19 | P18 | O17 | C16 | 132.3° | 55.0° |
| O19 | P18 | O20 | H16 | 0.0° | 180.0° |
| O20 | P18 | O21 | O17 | 118.5° | 120.0° |
| O20 | P18 | O21 | P22 | 27.5° | 75.0° |
| O20 | P18 | O17 | C16 | 106.9° | 65.0° |
| O25 | P26 | O27 | O28 | 119.2° | 120.0° |
| P26 | O25 | P22 | O21 | 164.5° | 165.0° |
| P26 | O25 | P22 | O23 | 71.6° | 75.0° |
| O25 | P26 | O27 | H18 | 120.0° | 60.1° |
| O25 | P26 | O28 | H19 | 117.8° | 180.0° |
| O27 | P26 | O25 | P22 | 153.5° | 79.9° |
| O27 | P26 | O28 | H19 | 121.0° | 60.0° |
| O28 | P26 | O25 | P22 | 33.6° | 160.0° |
| O28 | P26 | O27 | H18 | 120.8° | 60.0° |
| O25 | P22 | O21 | P18 | 176.1° | 160.0° |
| O25 | P22 | O21 | O23 | 122.3° | 120.0° |
| O25 | P22 | O23 | H17 | 116.5° | 60.0° |
| P18 | O21 | P22 | O23 | 61.6° | 80.0° |
| O21 | P18 | O17 | C16 | 11.5° | 175.0° |
| O21 | P18 | O20 | H16 | 120.8° | 60.0° |
| P22 | O21 | P18 | O17 | 91.1° | 165.0° |
| O21 | P22 | O23 | H17 | 117.8° | 60.0° |
| P18 | O17 | C16 | C15 | 99.3° | 180.0° |
| P18 | O17 | C16 | H12 | 20.7° | 60.0° |
| P18 | O17 | C16 | H13 | 140.8° | 60.0° |
| O17 | P18 | O20 | H16 | 120.2° | 60.0° |
| C01 | O02 | C03 | C04 | 41.3° | 0.1° |
| C01 | O02 | C03 | C12 | 137.9° | 179.7° |
| O02 | C01 | H1 | H2 | 120.0° | 119.9° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 119.9° |
| O02 | C03 | C04 | C12 | 179.2° | 179.8° |
| O02 | C03 | C04 | C05 | 179.6° | 179.7° |
| O02 | C03 | C12 | C13 | 0.8° | 0.2° |
| O02 | C03 | C12 | C11 | 179.7° | 179.7° |
| C03 | O02 | C01 | H1 | 180.0° | 59.9° |
| C03 | O02 | C01 | H2 | 60.0° | 60.1° |
| C03 | O02 | C01 | H3 | 60.0° | 180.0° |
| O02 | C03 | C04 | H4 | 0.4° | 0.2° |
| O17 | C16 | C15 | O14 | 89.7° | 70.8° |
| O17 | C16 | C15 | H12 | 120.0° | 120.1° |
| O17 | C16 | C15 | H13 | 120.0° | 120.0° |
| O17 | C16 | C15 | C30 | 156.9° | 175.0° |
| O17 | C16 | C15 | H11 | 31.5° | 52.1° |
| O17 | C16 | H12 | H13 | 120.1° | 120.0° |
| C03 | C04 | C05 | H4 | 180.0° | 180.0° |
| C04 | C03 | C12 | C13 | 180.0° | 180.0° |
| C04 | C03 | C12 | C11 | 0.6° | 0.1° |
| C03 | C04 | C05 | C06 | 179.9° | 179.9° |
| C03 | C04 | C05 | C10 | 0.1° | 0.1° |
| C12 | C03 | C04 | C05 | 0.4° | 0.1° |
| C03 | C12 | C13 | O14 | 30.6° | 157.2° |
| C03 | C12 | C13 | C11 | 179.5° | 179.9° |
| C03 | C12 | C13 | C32 | 146.5° | 85.0° |
| C03 | C12 | C11 | C10 | 0.5° | 0.0° |
| C12 | C03 | C04 | H4 | 179.6° | 180.0° |
| C03 | C12 | C11 | H9 | 179.5° | 180.0° |
| C03 | C12 | C13 | H10 | 95.7° | 36.0° |
| C04 | C05 | C06 | C10 | 179.9° | 180.0° |
| C04 | C05 | C06 | C07 | 180.0° | 180.0° |
| C04 | C05 | C10 | C11 | 0.1° | 0.1° |
| C04 | C05 | C10 | C09 | 180.0° | 180.0° |
| C04 | C05 | C06 | H5 | 0.1° | 0.0° |
| C13 | O14 | C15 | C16 | 174.2° | 158.7° |
| O14 | C13 | C12 | C32 | 115.9° | 117.8° |
| O14 | C13 | C12 | H10 | 126.3° | 121.2° |
| O14 | C13 | C12 | C11 | 149.9° | 22.8° |
| O14 | C13 | C32 | H10 | 119.5° | 119.6° |
| C13 | O14 | C15 | C30 | 55.0° | 40.1° |
| O14 | C13 | C32 | C30 | 5.0° | 2.1° |
| O14 | C13 | C32 | O33 | 122.0° | 120.7° |
| C13 | O14 | C15 | H11 | 63.5° | 78.4° |
| O14 | C13 | C32 | H15 | 113.0° | 116.6° |
| O14 | C15 | C16 | C30 | 113.4° | 114.1° |
| O14 | C15 | C16 | H11 | 121.2° | 122.9° |
| C15 | O14 | C13 | C12 | 149.8° | 145.9° |
| C15 | O14 | C13 | C32 | 31.1° | 26.6° |
| O14 | C15 | C30 | H11 | 115.0° | 118.5° |
| O14 | C15 | C30 | C32 | 47.4° | 37.0° |
| O14 | C15 | C30 | O31 | 165.2° | 155.2° |
| C15 | O14 | C13 | H10 | 85.9° | 93.0° |
| O14 | C15 | C16 | H12 | 30.2° | 169.1° |
| O14 | C15 | C16 | H13 | 150.3° | 49.1° |
| O14 | C15 | C30 | H14 | 69.6° | 81.2° |
| C16 | C15 | C30 | H11 | 123.8° | 122.9° |
| C16 | C15 | C30 | C32 | 168.6° | 155.7° |
| C16 | C15 | C30 | O31 | 73.6° | 86.1° |
| C15 | C16 | H12 | H13 | 120.1° | 120.0° |
| C16 | C15 | C30 | H14 | 51.5° | 37.5° |
| C12 | C13 | C32 | H10 | 117.7° | 121.0° |
| C13 | C12 | C11 | C10 | 179.9° | 180.0° |
| C12 | C13 | C32 | C30 | 127.8° | 121.5° |
| C12 | C13 | C32 | O33 | 115.2° | 119.9° |
| C13 | C12 | C11 | H9 | 0.0° | 0.0° |
| C12 | C13 | C32 | H15 | 9.8° | 2.7° |
| C11 | C12 | C13 | C32 | 34.0° | 95.0° |
| C12 | C11 | C10 | C05 | 0.1° | 0.0° |
| C12 | C11 | C10 | H9 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 179.9° | 180.0° |
| C11 | C12 | C13 | H10 | 83.8° | 144.0° |
| C13 | C32 | C30 | C15 | 30.5° | 20.9° |
| C13 | C32 | C30 | O33 | 117.5° | 118.6° |
| C13 | C32 | C30 | H15 | 117.9° | 118.7° |
| C13 | C32 | C30 | O31 | 147.4° | 139.0° |
| C13 | C32 | O33 | H15 | 123.1° | 122.6° |
| C13 | C32 | C30 | H14 | 89.5° | 97.3° |
| C13 | C32 | O33 | H21 | 180.0° | 180.0° |
| C05 | C06 | C07 | H5 | 180.0° | 179.9° |
| C06 | C05 | C10 | C11 | 180.0° | 180.0° |
| C06 | C05 | C10 | C09 | 0.0° | 0.0° |
| C05 | C06 | C07 | C08 | 0.0° | 0.0° |
| C06 | C05 | C04 | H4 | 0.1° | 0.0° |
| C05 | C06 | C07 | H6 | 180.0° | 180.0° |
| C10 | C05 | C06 | C07 | 0.0° | 0.0° |
| C05 | C10 | C11 | C09 | 180.0° | 180.0° |
| C05 | C10 | C09 | C08 | 0.0° | 0.0° |
| C10 | C05 | C04 | H4 | 180.0° | 180.0° |
| C10 | C05 | C06 | H5 | 180.0° | 179.9° |
| C05 | C10 | C09 | H8 | 180.0° | 180.0° |
| C05 | C10 | C11 | H9 | 179.8° | 180.0° |
| C06 | C07 | C08 | H6 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.0° | 0.0° |
| C06 | C07 | C08 | H7 | 180.0° | 180.0° |
| C15 | C30 | C32 | O31 | 117.0° | 118.2° |
| C15 | C30 | C32 | H14 | 119.9° | 118.2° |
| C15 | C30 | O31 | H14 | 126.9° | 123.6° |
| C15 | C30 | C32 | O33 | 87.0° | 97.8° |
| C30 | C15 | C16 | H12 | 83.1° | 55.0° |
| C30 | C15 | C16 | H13 | 37.0° | 65.0° |
| C15 | C30 | C32 | H15 | 148.4° | 139.5° |
| C15 | C30 | O31 | H20 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 180.0° | 180.0° |
| C11 | C10 | C09 | H8 | 0.0° | 0.1° |
| C10 | C09 | C08 | C07 | 0.0° | 0.0° |
| C10 | C09 | C08 | H8 | 180.0° | 180.0° |
| C10 | C09 | C08 | H7 | 180.0° | 180.0° |
| C09 | C10 | C11 | H9 | 0.2° | 0.0° |
| C07 | C08 | C09 | H7 | 180.0° | 180.0° |
| C08 | C07 | C06 | H5 | 180.0° | 179.9° |
| C07 | C08 | C09 | H8 | 180.0° | 179.9° |
| C32 | C30 | O31 | H14 | 122.7° | 123.6° |
| C30 | C32 | O33 | H15 | 122.9° | 122.7° |
| C30 | C32 | C13 | H10 | 114.4° | 117.6° |
| C32 | C30 | C15 | H11 | 67.6° | 81.4° |
| C32 | C30 | O31 | H20 | 69.6° | 67.3° |
| C30 | C32 | O33 | H21 | 66.0° | 65.3° |
| O31 | C30 | C32 | O33 | 30.0° | 20.4° |
| O31 | C30 | C15 | H11 | 50.2° | 36.8° |
| O31 | C30 | C32 | H15 | 94.6° | 102.3° |
| O33 | C32 | C13 | H10 | 2.6° | 1.1° |
| O33 | C32 | C30 | H14 | 153.1° | 144.0° |
| C09 | C08 | C07 | H6 | 180.0° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H5 | C06 | C07 | H6 | 0.0° | 0.1° |
| H6 | C07 | C08 | H7 | 0.0° | 0.0° |
| H7 | C08 | C09 | H8 | 0.1° | 0.0° |
| H10 | C13 | C32 | H15 | 127.5° | 123.7° |
| H11 | C15 | C16 | H12 | 151.5° | 68.0° |
| H11 | C15 | C16 | H13 | 88.4° | 172.1° |
| H11 | C15 | C30 | H14 | 175.4° | 160.4° |
| H14 | C30 | C32 | H15 | 28.5° | 21.3° |
| H14 | C30 | O31 | H20 | 53.0° | 56.4° |
| H15 | C32 | O33 | H21 | 56.9° | 57.4° |
