W0F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C15 | sing | 1.37Å | 1.35Å | |
| N16 | C15 | doub | 1.32Å | 1.35Å | |
| N16 | C17 | sing | 1.34Å | 1.34Å | |
| C15 | N14 | sing | 1.36Å | 1.36Å | |
| O18 | C17 | doub | 1.22Å | 1.25Å | |
| C17 | C12 | sing | 1.47Å | 1.48Å | |
| N14 | C13 | sing | 1.37Å | 1.36Å | |
| C12 | C13 | doub | 1.39Å | 1.47Å | Aromatic |
| C12 | N11 | sing | 1.35Å | 1.34Å | Aromatic |
| C13 | N09 | sing | 1.36Å | 1.34Å | Aromatic |
| O08 | C07 | sing | 1.43Å | 1.40Å | |
| N11 | C10 | doub | 1.30Å | 1.36Å | Aromatic |
| N09 | C10 | sing | 1.36Å | 1.35Å | Aromatic |
| N09 | C06 | sing | 1.47Å | 1.54Å | |
| C07 | C06 | sing | 1.55Å | 1.56Å | |
| C07 | C03 | sing | 1.55Å | 1.46Å | |
| C04 | C20 | sing | 1.53Å | 1.59Å | |
| C04 | C03 | sing | 1.54Å | 1.27Å | |
| C04 | O05 | sing | 1.44Å | 1.60Å | |
| O02 | C03 | sing | 1.43Å | 1.41Å | |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| C06 | O05 | sing | 1.44Å | 1.28Å | |
| O24 | P22 | doub | 1.48Å | 1.51Å | |
| C20 | O21 | sing | 1.43Å | 1.46Å | |
| O21 | P22 | sing | 1.61Å | 1.67Å | |
| P22 | O23 | sing | 1.61Å | 1.57Å | |
| P22 | O25 | sing | 1.61Å | 1.68Å | |
| O25 | P26 | sing | 1.61Å | 1.65Å | |
| O28 | P26 | doub | 1.48Å | 1.49Å | |
| O27 | P26 | sing | 1.61Å | 1.49Å | |
| P26 | O29 | sing | 1.61Å | 1.74Å | |
| O29 | P30 | sing | 1.61Å | 1.75Å | |
| P30 | O31 | doub | 1.48Å | 1.48Å | |
| P30 | O32 | sing | 1.61Å | 1.56Å | |
| P30 | O33 | sing | 1.61Å | 1.49Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| O08 | H11 | sing | 0.97Å | 0.95Å | |
| N14 | H12 | sing | 0.97Å | 1.00Å | |
| N19 | H13 | sing | 0.97Å | 1.00Å | |
| N19 | H14 | sing | 0.97Å | 1.00Å | |
| O23 | H15 | sing | 0.97Å | 0.95Å | |
| O27 | H16 | sing | 0.97Å | 0.95Å | |
| O32 | H17 | sing | 0.97Å | 0.95Å | |
| O33 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C15 | N16 | 118.6° | 118.7° |
| N19 | C15 | N14 | 118.6° | 118.7° |
| C15 | N19 | H13 | 120.0° | 120.0° |
| C15 | N19 | H14 | 120.0° | 120.1° |
| C15 | N16 | C17 | 122.3° | 121.3° |
| N16 | C15 | N14 | 122.8° | 122.6° |
| N16 | C17 | O18 | 121.0° | 120.7° |
| N16 | C17 | C12 | 118.0° | 118.6° |
| C15 | N14 | C13 | 121.0° | 120.5° |
| C15 | N14 | H12 | 119.5° | 119.8° |
| O18 | C17 | C12 | 121.1° | 120.7° |
| C17 | C12 | C13 | 117.3° | 118.1° |
| C17 | C12 | N11 | 136.1° | 134.5° |
| N14 | C13 | C12 | 118.5° | 118.9° |
| N14 | C13 | N09 | 135.1° | 134.7° |
| C13 | N14 | H12 | 119.5° | 119.7° |
| C13 | C12 | N11 | 106.6° | 107.4° |
| C12 | C13 | N09 | 106.4° | 106.4° |
| C12 | N11 | C10 | 107.6° | 109.2° |
| C13 | N09 | C10 | 108.4° | 107.5° |
| C13 | N09 | C06 | 133.4° | 126.2° |
| O08 | C07 | C06 | 119.8° | 110.9° |
| O08 | C07 | C03 | 108.0° | 110.9° |
| O08 | C07 | H10 | 109.5° | 110.9° |
| C07 | O08 | H11 | 109.5° | 114.0° |
| N11 | C10 | N09 | 111.1° | 109.5° |
| N11 | C10 | H1 | 124.5° | 125.3° |
| C10 | N09 | C06 | 117.5° | 126.2° |
| N09 | C10 | H1 | 124.4° | 125.2° |
| N09 | C06 | C07 | 136.3° | 110.8° |
| N09 | C06 | O05 | 75.4° | 110.6° |
| N09 | C06 | H9 | 111.0° | 110.5° |
| C06 | C07 | C03 | 103.1° | 102.0° |
| C07 | C06 | O05 | 97.7° | 103.6° |
| C07 | C06 | H9 | 110.8° | 110.6° |
| C06 | C07 | H10 | 107.3° | 110.9° |
| C07 | C03 | C04 | 100.3° | 104.3° |
| C07 | C03 | O02 | 113.6° | 110.5° |
| C07 | C03 | H7 | 109.4° | 110.5° |
| C03 | C07 | H10 | 108.6° | 111.0° |
| C20 | C04 | C03 | 108.1° | 109.9° |
| C20 | C04 | O05 | 125.1° | 109.9° |
| C04 | C20 | O21 | 122.6° | 109.5° |
| C04 | C20 | H2 | 106.1° | 109.5° |
| C04 | C20 | H3 | 106.1° | 109.5° |
| C20 | C04 | H8 | 108.5° | 109.9° |
| C03 | C04 | O05 | 92.7° | 107.3° |
| C04 | C03 | O02 | 110.6° | 110.5° |
| C04 | C03 | H7 | 112.4° | 110.5° |
| C03 | C04 | H8 | 113.3° | 109.9° |
| C04 | O05 | C06 | 110.1° | 107.0° |
| O05 | C04 | H8 | 108.4° | 110.0° |
| C03 | O02 | C01 | 117.3° | 114.0° |
| O02 | C03 | H7 | 110.2° | 110.4° |
| O02 | C01 | H4 | 109.5° | 109.5° |
| O02 | C01 | H5 | 109.5° | 109.5° |
| O02 | C01 | H6 | 109.5° | 109.4° |
| O05 | C06 | H9 | 115.6° | 110.6° |
| O24 | P22 | O21 | 99.9° | 109.5° |
| O24 | P22 | O23 | 111.4° | 109.5° |
| O24 | P22 | O25 | 105.2° | 109.4° |
| C20 | O21 | P22 | 123.7° | 123.0° |
| O21 | C20 | H2 | 106.1° | 109.5° |
| O21 | C20 | H3 | 106.1° | 109.5° |
| O21 | P22 | O23 | 115.7° | 109.5° |
| O21 | P22 | O25 | 112.5° | 109.5° |
| O23 | P22 | O25 | 111.2° | 109.5° |
| P22 | O23 | H15 | 109.5° | 114.0° |
| P22 | O25 | P26 | 122.2° | 134.0° |
| O25 | P26 | O28 | 105.9° | 109.5° |
| O25 | P26 | O27 | 93.0° | 109.5° |
| O25 | P26 | O29 | 118.0° | 109.5° |
| O28 | P26 | O27 | 106.0° | 109.4° |
| O28 | P26 | O29 | 117.6° | 109.5° |
| O27 | P26 | O29 | 113.1° | 109.5° |
| P26 | O27 | H16 | 109.5° | 114.0° |
| P26 | O29 | P30 | 142.2° | 134.0° |
| O29 | P30 | O31 | 111.7° | 109.4° |
| O29 | P30 | O32 | 117.7° | 109.5° |
| O29 | P30 | O33 | 113.6° | 109.5° |
| O31 | P30 | O32 | 108.1° | 109.4° |
| O31 | P30 | O33 | 97.7° | 109.5° |
| O32 | P30 | O33 | 106.0° | 109.5° |
| P30 | O32 | H17 | 109.5° | 113.9° |
| P30 | O33 | H18 | 109.5° | 113.9° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.4° | 109.4° |
| H13 | N19 | H14 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C15 | N16 | N14 | 179.9° | 180.0° |
| N19 | C15 | N16 | C17 | 179.9° | 179.9° |
| N19 | C15 | N14 | C13 | 179.8° | 180.0° |
| N19 | C15 | N14 | H12 | 0.2° | 0.0° |
| C15 | N19 | H13 | H14 | 180.0° | 180.0° |
| C15 | N16 | C17 | O18 | 179.9° | 179.9° |
| C15 | N16 | C17 | C12 | 0.1° | 0.2° |
| N16 | C15 | N14 | C13 | 0.1° | 0.0° |
| N16 | C15 | N14 | H12 | 180.0° | 180.0° |
| N16 | C15 | N19 | H13 | 0.0° | 180.0° |
| N16 | C15 | N19 | H14 | 180.0° | 0.0° |
| C17 | N16 | C15 | N14 | 0.0° | 0.2° |
| N16 | C17 | O18 | C12 | 179.9° | 180.0° |
| N16 | C17 | C12 | C13 | 0.1° | 0.0° |
| N16 | C17 | C12 | N11 | 180.0° | 180.0° |
| C15 | N14 | C13 | H12 | 180.0° | 180.0° |
| C15 | N14 | C13 | C12 | 0.1° | 0.2° |
| C15 | N14 | C13 | N09 | 180.0° | 180.0° |
| N14 | C15 | N19 | H13 | 179.9° | 0.0° |
| N14 | C15 | N19 | H14 | 0.1° | 180.0° |
| O18 | C17 | C12 | C13 | 180.0° | 180.0° |
| O18 | C17 | C12 | N11 | 0.1° | 0.0° |
| C17 | C12 | C13 | N14 | 0.2° | 0.2° |
| C17 | C12 | C13 | N11 | 179.9° | 180.0° |
| C17 | C12 | C13 | N09 | 179.9° | 180.0° |
| C17 | C12 | N11 | C10 | 179.9° | 179.8° |
| N14 | C13 | C12 | N09 | 179.9° | 179.8° |
| N14 | C13 | C12 | N11 | 179.9° | 179.8° |
| N14 | C13 | N09 | C10 | 179.8° | 180.0° |
| N14 | C13 | N09 | C06 | 9.9° | 0.0° |
| C13 | C12 | N11 | C10 | 0.1° | 0.2° |
| C12 | C13 | N09 | C10 | 0.0° | 0.2° |
| C12 | C13 | N09 | C06 | 170.3° | 179.8° |
| C12 | C13 | N14 | H12 | 179.9° | 179.8° |
| N11 | C12 | C13 | N09 | 0.1° | 0.0° |
| C12 | N11 | C10 | N09 | 0.1° | 0.3° |
| C12 | N11 | C10 | H1 | 179.9° | 180.0° |
| C13 | N09 | C10 | N11 | 0.1° | 0.3° |
| C13 | N09 | C10 | C06 | 172.0° | 180.0° |
| C13 | N09 | C06 | C07 | 66.9° | 89.3° |
| C13 | N09 | C06 | O05 | 152.7° | 156.4° |
| C13 | N09 | C10 | H1 | 180.0° | 180.0° |
| C13 | N09 | C06 | H9 | 95.0° | 33.6° |
| N09 | C13 | N14 | H12 | 0.1° | 0.0° |
| O08 | C07 | C06 | N09 | 29.6° | 37.4° |
| O08 | C07 | C06 | C03 | 119.9° | 118.1° |
| O08 | C07 | C06 | H10 | 125.6° | 123.7° |
| O08 | C07 | C03 | H10 | 118.6° | 123.7° |
| O08 | C07 | C03 | C04 | 77.8° | 97.4° |
| O08 | C07 | C03 | O02 | 40.2° | 21.4° |
| O08 | C07 | C06 | O05 | 106.5° | 81.2° |
| O08 | C07 | C03 | H7 | 163.8° | 143.9° |
| O08 | C07 | C06 | H9 | 132.3° | 160.3° |
| N11 | C10 | N09 | H1 | 180.0° | 179.7° |
| N11 | C10 | N09 | C06 | 172.0° | 179.7° |
| C10 | N09 | C06 | C07 | 102.7° | 90.7° |
| C10 | N09 | C06 | O05 | 16.8° | 23.6° |
| C10 | N09 | C06 | H9 | 95.4° | 146.4° |
| N09 | C06 | C07 | O05 | 76.9° | 118.6° |
| N09 | C06 | C07 | H9 | 161.9° | 122.9° |
| N09 | C06 | C07 | C03 | 90.3° | 155.5° |
| N09 | C06 | O05 | C04 | 116.2° | 158.7° |
| N09 | C06 | O05 | H9 | 106.6° | 122.8° |
| C06 | N09 | C10 | H1 | 8.0° | 0.0° |
| N09 | C06 | C07 | H10 | 155.2° | 86.2° |
| C06 | C07 | C03 | H10 | 113.6° | 118.2° |
| C06 | C07 | C03 | C04 | 49.9° | 20.7° |
| C07 | C06 | O05 | C04 | 19.8° | 40.0° |
| C06 | C07 | C03 | O02 | 168.0° | 139.5° |
| C07 | C06 | O05 | H9 | 117.5° | 118.5° |
| C06 | C07 | C03 | H7 | 68.5° | 98.0° |
| C06 | C07 | O08 | H11 | 180.0° | 61.4° |
| C07 | C03 | C04 | C20 | 176.2° | 117.3° |
| C07 | C03 | C04 | O02 | 120.2° | 118.7° |
| C07 | C03 | C04 | H7 | 116.1° | 118.8° |
| C07 | C03 | C04 | O05 | 55.3° | 2.1° |
| C07 | C03 | O02 | H7 | 123.1° | 122.5° |
| C07 | C03 | O02 | C01 | 149.1° | 93.3° |
| C03 | C07 | C06 | O05 | 13.4° | 36.9° |
| C07 | C03 | C04 | H8 | 56.0° | 121.6° |
| C03 | C07 | C06 | H9 | 107.8° | 81.6° |
| C03 | C07 | O08 | H11 | 62.6° | 174.0° |
| C20 | C04 | C03 | O05 | 128.4° | 119.4° |
| C20 | C04 | C03 | H8 | 120.2° | 121.0° |
| C20 | C04 | O05 | H8 | 129.9° | 121.1° |
| C20 | C04 | C03 | O02 | 56.0° | 123.9° |
| C20 | C04 | O05 | C06 | 166.8° | 92.9° |
| C04 | C20 | O21 | H2 | 121.8° | 120.0° |
| C04 | C20 | O21 | H3 | 121.8° | 120.0° |
| C04 | C20 | O21 | P22 | 161.8° | 180.0° |
| C04 | C20 | H2 | H3 | 114.1° | 120.0° |
| C20 | C04 | C03 | H7 | 67.6° | 1.4° |
| C03 | C04 | O05 | H8 | 115.6° | 119.5° |
| C04 | C03 | O02 | H7 | 124.9° | 122.5° |
| C04 | C03 | O02 | C01 | 98.9° | 151.8° |
| C03 | C04 | O05 | C06 | 52.3° | 26.5° |
| C03 | C04 | C20 | O21 | 159.1° | 175.0° |
| C03 | C04 | C20 | H2 | 37.3° | 65.0° |
| C03 | C04 | C20 | H3 | 79.1° | 55.0° |
| C04 | C03 | C07 | H10 | 163.6° | 138.9° |
| O05 | C04 | C03 | O02 | 175.5° | 116.7° |
| O05 | C04 | C20 | O21 | 52.1° | 67.2° |
| O05 | C04 | C20 | H2 | 69.6° | 52.8° |
| O05 | C04 | C20 | H3 | 173.9° | 172.8° |
| O05 | C04 | C03 | H7 | 60.8° | 120.9° |
| C04 | O05 | C06 | H9 | 137.3° | 78.5° |
| C03 | O02 | C01 | H4 | 180.0° | 180.0° |
| C03 | O02 | C01 | H5 | 60.0° | 59.9° |
| C03 | O02 | C01 | H6 | 60.0° | 60.0° |
| O02 | C03 | C04 | H8 | 64.2° | 2.9° |
| O02 | C03 | C07 | H10 | 78.4° | 102.3° |
| O02 | C01 | H4 | H5 | 120.0° | 120.1° |
| O02 | C01 | H4 | H6 | 120.0° | 120.0° |
| O02 | C01 | H5 | H6 | 120.0° | 119.9° |
| C01 | O02 | C03 | H7 | 26.0° | 29.3° |
| C06 | O05 | C04 | H8 | 63.3° | 146.0° |
| O05 | C06 | C07 | H10 | 127.9° | 155.2° |
| O24 | P22 | O21 | C20 | 79.9° | 55.0° |
| O24 | P22 | O21 | O23 | 119.7° | 120.1° |
| O24 | P22 | O21 | O25 | 111.1° | 120.0° |
| O24 | P22 | O23 | O25 | 117.0° | 120.0° |
| O24 | P22 | O25 | P26 | 63.7° | 45.0° |
| O24 | P22 | O23 | H15 | 0.0° | 180.0° |
| C20 | O21 | P22 | O23 | 160.4° | 65.0° |
| C20 | O21 | P22 | O25 | 31.2° | 175.0° |
| O21 | C20 | H2 | H3 | 114.1° | 120.0° |
| O21 | C20 | C04 | H8 | 77.7° | 53.9° |
| O21 | P22 | O23 | O25 | 129.9° | 120.0° |
| O21 | P22 | O25 | P26 | 171.4° | 165.0° |
| P22 | O21 | C20 | H2 | 40.0° | 60.0° |
| P22 | O21 | C20 | H3 | 76.3° | 60.0° |
| O21 | P22 | O23 | H15 | 113.1° | 60.0° |
| O23 | P22 | O25 | P26 | 57.1° | 75.0° |
| P22 | O25 | P26 | O28 | 80.7° | 40.0° |
| P22 | O25 | P26 | O27 | 26.8° | 80.0° |
| P22 | O25 | P26 | O29 | 145.1° | 160.0° |
| O25 | P22 | O23 | H15 | 117.0° | 60.0° |
| O25 | P26 | O28 | O27 | 98.0° | 120.0° |
| O25 | P26 | O28 | O29 | 134.4° | 120.1° |
| O25 | P26 | O27 | O29 | 122.3° | 120.0° |
| O25 | P26 | O29 | P30 | 141.1° | 165.0° |
| O25 | P26 | O27 | H16 | 107.5° | 60.1° |
| O28 | P26 | O27 | O29 | 130.2° | 120.0° |
| O28 | P26 | O29 | P30 | 89.9° | 45.0° |
| O28 | P26 | O27 | H16 | 0.0° | 180.0° |
| O27 | P26 | O29 | P30 | 34.2° | 75.0° |
| P26 | O29 | P30 | O31 | 54.8° | 40.0° |
| P26 | O29 | P30 | O32 | 71.1° | 80.0° |
| P26 | O29 | P30 | O33 | 164.1° | 160.0° |
| O29 | P26 | O27 | H16 | 130.2° | 60.0° |
| O29 | P30 | O31 | O32 | 131.1° | 120.0° |
| O29 | P30 | O31 | O33 | 119.2° | 120.0° |
| O29 | P30 | O32 | O33 | 128.4° | 120.0° |
| O29 | P30 | O32 | H17 | 127.7° | 60.0° |
| O29 | P30 | O33 | H18 | 117.8° | 180.0° |
| O31 | P30 | O32 | O33 | 103.9° | 120.0° |
| O31 | P30 | O32 | H17 | 0.0° | 179.9° |
| O31 | P30 | O33 | H18 | 0.0° | 60.0° |
| O32 | P30 | O33 | H18 | 111.4° | 60.0° |
| O33 | P30 | O32 | H17 | 103.9° | 60.0° |
| H2 | C20 | C04 | H8 | 160.5° | 173.9° |
| H3 | C20 | C04 | H8 | 44.1° | 66.0° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H7 | C03 | C04 | H8 | 172.1° | 119.6° |
| H7 | C03 | C07 | H10 | 45.2° | 20.2° |
| H9 | C06 | C07 | H10 | 6.7° | 36.7° |
| H10 | C07 | O08 | H11 | 55.5° | 62.2° |
