WF1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | O22 | sing | 1.43Å | 1.40Å | |
| C24 | N25 | sing | 1.47Å | 1.45Å | |
| O22 | C21 | sing | 1.43Å | 1.40Å | |
| C18 | O19 | sing | 1.43Å | 1.40Å | |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| N16 | C17 | sing | 1.35Å | 1.45Å | |
| N16 | C15 | sing | 1.46Å | 1.45Å | |
| O19 | C20 | sing | 1.43Å | 1.40Å | |
| C17 | O26 | doub | 1.21Å | 1.18Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | O13 | sing | 1.43Å | 1.40Å | |
| O13 | C12 | sing | 1.43Å | 1.40Å | |
| O10 | C11 | sing | 1.43Å | 1.40Å | |
| O10 | C09 | sing | 1.43Å | 1.40Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| O27 | C08 | doub | 1.21Å | 1.18Å | |
| C09 | C08 | sing | 1.51Å | 1.53Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| N16 | H18 | sing | 0.97Å | 1.00Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| N25 | H23 | sing | 1.01Å | 1.00Å | |
| N25 | H24 | sing | 1.01Å | 1.00Å | |
| C08 | O1 | sing | 1.34Å | 1.45Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | O22 | 108.8° | 109.5° |
| C23 | C24 | N25 | 111.6° | 109.4° |
| C24 | C23 | H3 | 109.7° | 109.5° |
| C24 | C23 | H4 | 109.6° | 109.5° |
| C23 | C24 | H21 | 108.9° | 109.4° |
| C23 | C24 | H22 | 108.9° | 109.5° |
| C23 | O22 | C21 | 113.7° | 114.0° |
| O22 | C23 | H3 | 109.6° | 109.5° |
| O22 | C23 | H4 | 109.6° | 109.5° |
| N25 | C24 | H21 | 108.9° | 109.5° |
| N25 | C24 | H22 | 108.9° | 109.5° |
| C24 | N25 | H23 | 109.5° | 111.0° |
| C24 | N25 | H24 | 109.4° | 111.0° |
| O22 | C21 | C20 | 108.1° | 109.5° |
| O22 | C21 | H19 | 109.8° | 109.5° |
| O22 | C21 | H20 | 109.8° | 109.5° |
| O19 | C18 | C17 | 107.4° | 109.5° |
| C18 | O19 | C20 | 114.5° | 114.0° |
| O19 | C18 | H11 | 110.0° | 109.5° |
| O19 | C18 | H12 | 110.0° | 109.4° |
| C18 | C17 | N16 | 119.8° | 120.0° |
| C18 | C17 | O26 | 120.0° | 120.0° |
| C17 | C18 | H11 | 110.0° | 109.5° |
| C17 | C18 | H12 | 110.0° | 109.5° |
| C21 | C20 | O19 | 108.9° | 109.5° |
| C21 | C20 | H9 | 109.6° | 109.5° |
| C21 | C20 | H10 | 109.6° | 109.5° |
| C20 | C21 | H19 | 109.8° | 109.5° |
| C20 | C21 | H20 | 109.8° | 109.4° |
| C17 | N16 | C15 | 120.7° | 120.0° |
| N16 | C17 | O26 | 120.3° | 120.0° |
| C17 | N16 | H18 | 119.7° | 120.0° |
| N16 | C15 | C14 | 110.5° | 109.5° |
| N16 | C15 | H7 | 109.2° | 109.5° |
| N16 | C15 | H8 | 109.2° | 109.5° |
| C15 | N16 | H18 | 119.6° | 120.0° |
| O19 | C20 | H9 | 109.6° | 109.4° |
| O19 | C20 | H10 | 109.6° | 109.4° |
| C15 | C14 | O13 | 108.1° | 109.5° |
| C15 | C14 | H1 | 109.8° | 109.5° |
| C15 | C14 | H2 | 109.8° | 109.5° |
| C14 | C15 | H7 | 109.2° | 109.5° |
| C14 | C15 | H8 | 109.2° | 109.5° |
| C14 | O13 | C12 | 113.4° | 114.0° |
| O13 | C14 | H1 | 109.8° | 109.5° |
| O13 | C14 | H2 | 109.8° | 109.4° |
| O13 | C12 | C11 | 109.3° | 109.5° |
| O13 | C12 | H5 | 109.5° | 109.5° |
| O13 | C12 | H6 | 109.5° | 109.5° |
| C11 | O10 | C09 | 113.6° | 114.0° |
| O10 | C11 | C12 | 108.6° | 109.4° |
| O10 | C11 | H16 | 109.7° | 109.5° |
| O10 | C11 | H17 | 109.7° | 109.5° |
| O10 | C09 | C08 | 106.5° | 109.5° |
| O10 | C09 | H14 | 110.2° | 109.5° |
| O10 | C09 | H15 | 110.2° | 109.5° |
| C11 | C12 | H5 | 109.5° | 109.4° |
| C11 | C12 | H6 | 109.5° | 109.4° |
| C12 | C11 | H16 | 109.7° | 109.5° |
| C12 | C11 | H17 | 109.7° | 109.4° |
| O27 | C08 | C09 | 120.0° | 120.0° |
| O27 | C08 | O1 | 120.0° | 120.0° |
| C08 | C09 | H14 | 110.2° | 109.4° |
| C08 | C09 | H15 | 110.2° | 109.4° |
| C09 | C08 | O1 | 120.0° | 120.0° |
| H1 | C14 | H2 | 109.4° | 109.4° |
| H3 | C23 | H4 | 109.5° | 109.4° |
| H5 | C12 | H6 | 109.5° | 109.4° |
| H7 | C15 | H8 | 109.5° | 109.4° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.4° |
| H14 | C09 | H15 | 109.5° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.4° |
| H21 | C24 | H22 | 109.5° | 109.5° |
| H23 | N25 | H24 | 109.5° | 111.0° |
| C08 | O1 | H13 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | O22 | H3 | 119.9° | 120.0° |
| C24 | C23 | O22 | H4 | 119.9° | 120.0° |
| C23 | C24 | N25 | H21 | 120.3° | 120.0° |
| C23 | C24 | N25 | H22 | 120.3° | 120.0° |
| C24 | C23 | O22 | C21 | 106.9° | 180.0° |
| C24 | C23 | H3 | H4 | 120.3° | 120.0° |
| C23 | C24 | H21 | H22 | 119.0° | 120.0° |
| C23 | C24 | N25 | H23 | 180.0° | 180.0° |
| C23 | C24 | N25 | H24 | 60.0° | 56.1° |
| O22 | C23 | C24 | N25 | 68.6° | 65.0° |
| C23 | O22 | C21 | C20 | 109.7° | 180.0° |
| O22 | C23 | H3 | H4 | 120.3° | 120.0° |
| C23 | O22 | C21 | H19 | 10.0° | 60.0° |
| C23 | O22 | C21 | H20 | 130.5° | 59.9° |
| O22 | C23 | C24 | H21 | 51.8° | 175.0° |
| O22 | C23 | C24 | H22 | 171.1° | 55.0° |
| N25 | C24 | C23 | H3 | 51.3° | 55.0° |
| N25 | C24 | C23 | H4 | 171.5° | 175.0° |
| N25 | C24 | H21 | H22 | 119.0° | 120.1° |
| C24 | N25 | H23 | H24 | 120.0° | 123.9° |
| O22 | C21 | C20 | H19 | 119.8° | 120.1° |
| O22 | C21 | C20 | H20 | 119.8° | 120.1° |
| O22 | C21 | C20 | O19 | 113.8° | 65.0° |
| C21 | O22 | C23 | H3 | 13.0° | 60.0° |
| C21 | O22 | C23 | H4 | 133.2° | 60.0° |
| O22 | C21 | C20 | H9 | 126.3° | 55.0° |
| O22 | C21 | C20 | H10 | 6.1° | 175.0° |
| O22 | C21 | H19 | H20 | 120.6° | 120.0° |
| O19 | C18 | C17 | H11 | 119.7° | 120.0° |
| O19 | C18 | C17 | H12 | 119.7° | 120.0° |
| C18 | O19 | C20 | C21 | 56.4° | 180.0° |
| O19 | C18 | C17 | N16 | 136.8° | 180.0° |
| O19 | C18 | C17 | O26 | 43.3° | 0.0° |
| C18 | O19 | C20 | H9 | 63.5° | 60.0° |
| C18 | O19 | C20 | H10 | 176.3° | 60.0° |
| O19 | C18 | H11 | H12 | 121.0° | 119.9° |
| C18 | C17 | N16 | O26 | 179.9° | 179.9° |
| C18 | C17 | N16 | C15 | 179.8° | 180.0° |
| C17 | C18 | O19 | C20 | 93.7° | 180.0° |
| C17 | C18 | H11 | H12 | 120.9° | 120.0° |
| C18 | C17 | N16 | H18 | 0.2° | 0.1° |
| C21 | C20 | O19 | H9 | 119.9° | 120.0° |
| C21 | C20 | O19 | H10 | 119.9° | 120.1° |
| C21 | C20 | H9 | H10 | 120.3° | 120.1° |
| C20 | C21 | H19 | H20 | 120.6° | 119.9° |
| C17 | N16 | C15 | H18 | 180.0° | 180.0° |
| C17 | N16 | C15 | C14 | 49.6° | 180.0° |
| C17 | N16 | C15 | H7 | 70.5° | 59.9° |
| C17 | N16 | C15 | H8 | 169.8° | 60.0° |
| N16 | C17 | C18 | H11 | 103.5° | 59.9° |
| N16 | C17 | C18 | H12 | 17.2° | 60.0° |
| C15 | N16 | C17 | O26 | 0.3° | 0.0° |
| N16 | C15 | C14 | H7 | 120.2° | 120.0° |
| N16 | C15 | C14 | H8 | 120.1° | 120.0° |
| N16 | C15 | C14 | O13 | 146.2° | 65.0° |
| N16 | C15 | C14 | H1 | 94.0° | 175.0° |
| N16 | C15 | C14 | H2 | 26.4° | 55.0° |
| N16 | C15 | H7 | H8 | 119.5° | 119.9° |
| O19 | C20 | H9 | H10 | 120.3° | 119.9° |
| C20 | O19 | C18 | H11 | 146.7° | 59.9° |
| C20 | O19 | C18 | H12 | 26.0° | 60.0° |
| O19 | C20 | C21 | H19 | 6.0° | 55.1° |
| O19 | C20 | C21 | H20 | 126.4° | 175.0° |
| O26 | C17 | C18 | H11 | 76.4° | 120.0° |
| O26 | C17 | C18 | H12 | 163.0° | 120.0° |
| O26 | C17 | N16 | H18 | 179.7° | 180.0° |
| C15 | C14 | O13 | H1 | 119.8° | 120.0° |
| C15 | C14 | O13 | H2 | 119.8° | 120.0° |
| C15 | C14 | O13 | C12 | 111.4° | 180.0° |
| C15 | C14 | H1 | H2 | 120.6° | 120.0° |
| C14 | C15 | H7 | H8 | 119.5° | 120.0° |
| C14 | C15 | N16 | H18 | 130.4° | 0.0° |
| C14 | O13 | C12 | C11 | 142.7° | 180.0° |
| O13 | C14 | H1 | H2 | 120.6° | 120.0° |
| C14 | O13 | C12 | H5 | 22.7° | 60.0° |
| C14 | O13 | C12 | H6 | 97.3° | 60.0° |
| O13 | C14 | C15 | H7 | 26.0° | 175.0° |
| O13 | C14 | C15 | H8 | 93.6° | 55.0° |
| O13 | C12 | C11 | O10 | 135.0° | 65.0° |
| O13 | C12 | C11 | H5 | 120.0° | 120.0° |
| O13 | C12 | C11 | H6 | 120.0° | 120.1° |
| C12 | O13 | C14 | H1 | 8.4° | 60.0° |
| C12 | O13 | C14 | H2 | 128.8° | 60.0° |
| O13 | C12 | H5 | H6 | 120.1° | 120.1° |
| O13 | C12 | C11 | H16 | 15.1° | 175.0° |
| O13 | C12 | C11 | H17 | 105.1° | 54.9° |
| O10 | C11 | C12 | H16 | 119.9° | 120.0° |
| O10 | C11 | C12 | H17 | 119.9° | 120.0° |
| C11 | O10 | C09 | C08 | 96.1° | 180.0° |
| O10 | C11 | C12 | H5 | 15.1° | 175.0° |
| O10 | C11 | C12 | H6 | 105.0° | 55.1° |
| C11 | O10 | C09 | H14 | 23.5° | 60.0° |
| C11 | O10 | C09 | H15 | 144.4° | 60.0° |
| O10 | C11 | H16 | H17 | 120.4° | 120.0° |
| C09 | O10 | C11 | C12 | 78.4° | 180.0° |
| O10 | C09 | C08 | O27 | 73.6° | 0.0° |
| O10 | C09 | C08 | H14 | 119.5° | 120.1° |
| O10 | C09 | C08 | H15 | 119.5° | 120.0° |
| O10 | C09 | H14 | H15 | 121.4° | 120.0° |
| C09 | O10 | C11 | H16 | 161.8° | 60.0° |
| C09 | O10 | C11 | H17 | 41.5° | 60.0° |
| O10 | C09 | C08 | O1 | 106.4° | 180.0° |
| C11 | C12 | H5 | H6 | 120.1° | 119.9° |
| C12 | C11 | H16 | H17 | 120.4° | 120.0° |
| O27 | C08 | C09 | O1 | 180.0° | 180.0° |
| O27 | C08 | C09 | H14 | 166.9° | 120.1° |
| O27 | C08 | C09 | H15 | 46.0° | 120.0° |
| O27 | C08 | O1 | H13 | 0.0° | 0.1° |
| C08 | C09 | H14 | H15 | 121.3° | 119.9° |
| C09 | C08 | O1 | H13 | 180.0° | 180.0° |
| H1 | C14 | C15 | H7 | 145.9° | 54.9° |
| H1 | C14 | C15 | H8 | 26.2° | 65.0° |
| H2 | C14 | C15 | H7 | 93.7° | 65.0° |
| H2 | C14 | C15 | H8 | 146.6° | 175.0° |
| H3 | C23 | C24 | H21 | 171.6° | 65.0° |
| H3 | C23 | C24 | H22 | 69.0° | 175.0° |
| H4 | C23 | C24 | H21 | 68.1° | 55.0° |
| H4 | C23 | C24 | H22 | 51.2° | 65.0° |
| H5 | C12 | C11 | H16 | 104.8° | 55.0° |
| H5 | C12 | C11 | H17 | 134.9° | 65.1° |
| H6 | C12 | C11 | H16 | 135.1° | 64.9° |
| H6 | C12 | C11 | H17 | 14.9° | 175.0° |
| H7 | C15 | N16 | H18 | 109.5° | 120.0° |
| H8 | C15 | N16 | H18 | 10.2° | 120.1° |
| H9 | C20 | C21 | H19 | 113.9° | 175.0° |
| H9 | C20 | C21 | H20 | 6.5° | 65.1° |
| H10 | C20 | C21 | H19 | 125.9° | 64.9° |
| H10 | C20 | C21 | H20 | 113.6° | 55.0° |
| H14 | C09 | C08 | O1 | 13.1° | 60.0° |
| H15 | C09 | C08 | O1 | 134.0° | 60.0° |
| H21 | C24 | N25 | H23 | 59.7° | 60.0° |
| H21 | C24 | N25 | H24 | 179.7° | 176.0° |
| H22 | C24 | N25 | H23 | 59.7° | 60.0° |
| H22 | C24 | N25 | H24 | 60.3° | 63.9° |
