37W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | sing | 1.51Å | 1.52Å | |
| C07 | S09 | sing | 1.75Å | 1.71Å | Aromatic |
| C07 | C06 | doub | 1.34Å | 1.40Å | Aromatic |
| S09 | C10 | sing | 1.70Å | 1.71Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| O13 | C12 | doub | 1.21Å | 1.21Å | |
| C06 | C05 | sing | 1.48Å | 1.41Å | |
| C06 | C20 | sing | 1.45Å | 1.40Å | Aromatic |
| C05 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.51Å | |
| C02 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C20 | doub | 1.37Å | 1.38Å | Aromatic |
| C10 | N11 | sing | 1.39Å | 1.41Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C20 | C21 | sing | 1.47Å | 1.51Å | |
| C12 | N11 | sing | 1.35Å | 1.43Å | |
| C12 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| O18 | C17 | doub | 1.21Å | 1.26Å | |
| C21 | N22 | sing | 1.35Å | 1.42Å | |
| C21 | O23 | doub | 1.22Å | 1.23Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | O19 | sing | 1.34Å | 1.26Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| N11 | H9 | sing | 0.97Å | 1.00Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| O19 | H16 | sing | 0.97Å | 0.95Å | |
| N22 | H17 | sing | 0.97Å | 1.00Å | |
| N22 | H18 | sing | 0.97Å | 1.00Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C07 | S09 | 124.8° | 124.6° |
| C08 | C07 | C06 | 129.1° | 124.7° |
| C07 | C08 | H6 | 109.5° | 109.5° |
| C07 | C08 | H7 | 109.5° | 109.5° |
| C07 | C08 | H8 | 109.5° | 109.5° |
| S09 | C07 | C06 | 106.1° | 110.7° |
| C07 | S09 | C10 | 97.7° | 92.7° |
| C07 | C06 | C05 | 117.5° | 123.6° |
| C07 | C06 | C20 | 114.4° | 112.8° |
| S09 | C10 | C20 | 106.3° | 111.0° |
| S09 | C10 | N11 | 127.8° | 124.5° |
| C03 | C04 | C05 | 120.8° | 119.8° |
| C04 | C03 | C02 | 119.9° | 120.2° |
| C04 | C03 | H4 | 120.0° | 119.9° |
| C03 | C04 | H5 | 119.6° | 120.1° |
| C04 | C05 | C06 | 124.1° | 120.1° |
| C04 | C05 | C24 | 118.8° | 119.8° |
| C05 | C04 | H5 | 119.6° | 120.1° |
| C03 | C02 | C01 | 119.5° | 119.9° |
| C03 | C02 | C25 | 119.8° | 120.3° |
| C02 | C03 | H4 | 120.1° | 119.9° |
| O13 | C12 | N11 | 121.8° | 120.0° |
| O13 | C12 | C14 | 118.5° | 120.0° |
| C05 | C06 | C20 | 128.0° | 123.6° |
| C06 | C05 | C24 | 116.8° | 120.1° |
| C06 | C20 | C10 | 115.5° | 112.8° |
| C06 | C20 | C21 | 126.9° | 123.6° |
| C05 | C24 | C25 | 120.5° | 119.8° |
| C05 | C24 | H19 | 119.8° | 120.1° |
| C01 | C02 | C25 | 120.7° | 119.9° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C02 | C25 | C24 | 120.1° | 120.2° |
| C02 | C25 | C26 | 120.4° | 119.9° |
| C24 | C25 | C26 | 119.5° | 119.9° |
| C25 | C24 | H19 | 119.7° | 120.1° |
| C20 | C10 | N11 | 125.9° | 124.5° |
| C10 | C20 | C21 | 117.5° | 123.6° |
| C10 | N11 | C12 | 122.2° | 120.0° |
| C10 | N11 | H9 | 118.9° | 120.0° |
| C25 | C26 | H20 | 109.5° | 109.5° |
| C25 | C26 | H21 | 109.5° | 109.5° |
| C25 | C26 | H22 | 109.5° | 109.5° |
| C20 | C21 | N22 | 120.1° | 120.0° |
| C20 | C21 | O23 | 119.8° | 120.0° |
| N11 | C12 | C14 | 119.7° | 120.0° |
| C12 | N11 | H9 | 118.9° | 120.0° |
| C12 | C14 | C15 | 112.1° | 109.5° |
| C12 | C14 | H10 | 108.8° | 109.5° |
| C12 | C14 | H11 | 108.8° | 109.5° |
| C14 | C15 | C16 | 111.5° | 109.5° |
| C15 | C14 | H10 | 108.8° | 109.5° |
| C15 | C14 | H11 | 108.8° | 109.5° |
| C14 | C15 | H12 | 109.0° | 109.5° |
| C14 | C15 | H13 | 108.9° | 109.4° |
| C15 | C16 | C17 | 114.2° | 109.5° |
| C16 | C15 | H12 | 108.9° | 109.5° |
| C16 | C15 | H13 | 108.9° | 109.5° |
| C15 | C16 | H14 | 108.3° | 109.5° |
| C15 | C16 | H15 | 108.3° | 109.4° |
| O18 | C17 | C16 | 120.4° | 120.0° |
| O18 | C17 | O19 | 120.1° | 120.0° |
| N22 | C21 | O23 | 120.1° | 120.0° |
| C21 | N22 | H17 | 120.0° | 120.0° |
| C21 | N22 | H18 | 120.0° | 119.9° |
| C16 | C17 | O19 | 119.6° | 120.0° |
| C17 | C16 | H14 | 108.3° | 109.5° |
| C17 | C16 | H15 | 108.3° | 109.5° |
| C17 | O19 | H16 | 109.5° | 117.0° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.5° |
| H6 | C08 | H8 | 109.4° | 109.4° |
| H7 | C08 | H8 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H17 | N22 | H18 | 120.0° | 120.0° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H20 | C26 | H22 | 109.5° | 109.5° |
| H21 | C26 | H22 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C07 | S09 | C06 | 179.7° | 179.7° |
| C08 | C07 | S09 | C10 | 179.9° | 180.0° |
| C08 | C07 | C06 | C05 | 3.3° | 0.3° |
| C08 | C07 | C06 | C20 | 178.7° | 179.8° |
| C07 | C08 | H6 | H7 | 120.0° | 120.1° |
| C07 | C08 | H6 | H8 | 120.0° | 120.0° |
| C07 | C08 | H7 | H8 | 120.0° | 120.0° |
| S09 | C07 | C06 | C05 | 177.1° | 180.0° |
| S09 | C07 | C06 | C20 | 1.6° | 0.5° |
| C07 | S09 | C10 | C20 | 0.8° | 0.0° |
| C07 | S09 | C10 | N11 | 178.4° | 179.7° |
| S09 | C07 | C08 | H6 | 0.0° | 0.0° |
| S09 | C07 | C08 | H7 | 120.0° | 120.0° |
| S09 | C07 | C08 | H8 | 120.0° | 120.0° |
| C06 | C07 | S09 | C10 | 0.4° | 0.3° |
| C07 | C06 | C05 | C04 | 62.4° | 114.4° |
| C07 | C06 | C05 | C20 | 174.8° | 179.5° |
| C07 | C06 | C05 | C24 | 111.5° | 65.6° |
| C07 | C06 | C20 | C10 | 2.4° | 0.5° |
| C07 | C06 | C20 | C21 | 179.4° | 179.5° |
| C06 | C07 | C08 | H6 | 179.6° | 179.7° |
| C06 | C07 | C08 | H7 | 59.6° | 59.6° |
| C06 | C07 | C08 | H8 | 60.4° | 60.4° |
| S09 | C10 | C20 | C06 | 1.9° | 0.3° |
| S09 | C10 | C20 | N11 | 177.7° | 179.7° |
| S09 | C10 | C20 | C21 | 179.2° | 179.7° |
| S09 | C10 | N11 | C12 | 11.5° | 0.3° |
| S09 | C10 | N11 | H9 | 168.4° | 179.7° |
| C03 | C04 | C05 | H5 | 180.0° | 180.0° |
| C04 | C03 | C02 | H4 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 176.4° | 180.0° |
| C03 | C04 | C05 | C24 | 2.6° | 0.0° |
| C04 | C03 | C02 | C01 | 179.7° | 180.0° |
| C04 | C03 | C02 | C25 | 0.1° | 0.3° |
| C05 | C04 | C03 | C02 | 1.2° | 0.0° |
| C04 | C05 | C06 | C24 | 173.9° | 180.0° |
| C04 | C05 | C06 | C20 | 122.9° | 65.0° |
| C04 | C05 | C24 | C25 | 3.0° | 0.3° |
| C05 | C04 | C03 | H4 | 178.8° | 180.0° |
| C04 | C05 | C24 | H19 | 177.1° | 180.0° |
| C03 | C02 | C01 | C25 | 179.9° | 179.7° |
| C03 | C02 | C25 | C24 | 0.5° | 0.6° |
| C03 | C02 | C25 | C26 | 179.6° | 179.7° |
| C03 | C02 | C01 | H1 | 90.0° | 89.7° |
| C03 | C02 | C01 | H2 | 149.9° | 30.2° |
| C03 | C02 | C01 | H3 | 29.9° | 150.3° |
| C02 | C03 | C04 | H5 | 178.8° | 180.0° |
| O13 | C12 | N11 | C10 | 2.5° | 0.0° |
| O13 | C12 | N11 | C14 | 179.0° | 180.0° |
| O13 | C12 | C14 | C15 | 34.5° | 0.0° |
| O13 | C12 | N11 | H9 | 177.5° | 180.0° |
| O13 | C12 | C14 | H10 | 154.8° | 120.0° |
| O13 | C12 | C14 | H11 | 85.9° | 120.0° |
| C06 | C05 | C24 | C25 | 177.2° | 179.7° |
| C05 | C06 | C20 | C10 | 177.3° | 180.0° |
| C05 | C06 | C20 | C21 | 5.7° | 0.0° |
| C06 | C05 | C04 | H5 | 3.6° | 0.0° |
| C06 | C05 | C24 | H19 | 2.8° | 0.0° |
| C20 | C06 | C05 | C24 | 63.2° | 115.0° |
| C06 | C20 | C10 | C21 | 177.3° | 180.0° |
| C06 | C20 | C10 | N11 | 179.6° | 180.0° |
| C06 | C20 | C21 | N22 | 17.7° | 90.0° |
| C06 | C20 | C21 | O23 | 164.4° | 90.0° |
| C05 | C24 | C25 | C02 | 2.0° | 0.6° |
| C05 | C24 | C25 | H19 | 180.0° | 179.7° |
| C05 | C24 | C25 | C26 | 178.2° | 179.7° |
| C24 | C05 | C04 | H5 | 177.4° | 179.9° |
| C01 | C02 | C25 | C24 | 179.3° | 179.7° |
| C01 | C02 | C25 | C26 | 0.5° | 0.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | C02 | C03 | H4 | 0.3° | 0.0° |
| C02 | C25 | C24 | C26 | 179.8° | 179.7° |
| C25 | C02 | C01 | H1 | 90.1° | 90.0° |
| C25 | C02 | C01 | H2 | 29.9° | 150.0° |
| C25 | C02 | C01 | H3 | 149.9° | 30.0° |
| C25 | C02 | C03 | H4 | 179.8° | 179.7° |
| C02 | C25 | C24 | H19 | 178.1° | 179.7° |
| C02 | C25 | C26 | H20 | 90.1° | 90.0° |
| C02 | C25 | C26 | H21 | 149.9° | 150.0° |
| C02 | C25 | C26 | H22 | 30.0° | 30.0° |
| C24 | C25 | C26 | H20 | 90.1° | 89.7° |
| C24 | C25 | C26 | H21 | 29.9° | 30.3° |
| C24 | C25 | C26 | H22 | 149.9° | 150.2° |
| C20 | C10 | N11 | C12 | 165.6° | 180.0° |
| C10 | C20 | C21 | N22 | 159.2° | 90.0° |
| C10 | C20 | C21 | O23 | 18.7° | 90.0° |
| C20 | C10 | N11 | H9 | 14.4° | 0.0° |
| N11 | C10 | C20 | C21 | 3.2° | 0.0° |
| C10 | N11 | C12 | H9 | 180.0° | 180.0° |
| C10 | N11 | C12 | C14 | 178.4° | 180.0° |
| C26 | C25 | C24 | H19 | 1.8° | 0.0° |
| C25 | C26 | H20 | H21 | 120.0° | 120.0° |
| C25 | C26 | H20 | H22 | 120.0° | 120.0° |
| C25 | C26 | H21 | H22 | 120.0° | 120.0° |
| C20 | C21 | N22 | O23 | 177.9° | 180.0° |
| C20 | C21 | N22 | H17 | 177.9° | 0.0° |
| C20 | C21 | N22 | H18 | 2.1° | 180.0° |
| N11 | C12 | C14 | C15 | 146.5° | 180.0° |
| N11 | C12 | C14 | H10 | 26.1° | 60.0° |
| N11 | C12 | C14 | H11 | 93.1° | 60.0° |
| C12 | C14 | C15 | H10 | 120.4° | 120.0° |
| C12 | C14 | C15 | H11 | 120.4° | 120.0° |
| C12 | C14 | C15 | C16 | 174.1° | 180.0° |
| C14 | C12 | N11 | H9 | 1.6° | 0.0° |
| C12 | C14 | H10 | H11 | 118.8° | 120.0° |
| C12 | C14 | C15 | H12 | 65.6° | 60.0° |
| C12 | C14 | C15 | H13 | 53.8° | 60.0° |
| C14 | C15 | C16 | H12 | 120.3° | 120.0° |
| C14 | C15 | C16 | H13 | 120.3° | 120.0° |
| C14 | C15 | C16 | C17 | 155.6° | 180.0° |
| C15 | C14 | H10 | H11 | 118.8° | 120.0° |
| C14 | C15 | H12 | H13 | 119.1° | 119.9° |
| C14 | C15 | C16 | H14 | 34.9° | 59.9° |
| C14 | C15 | C16 | H15 | 83.7° | 60.0° |
| C15 | C16 | C17 | O18 | 0.4° | 0.0° |
| C15 | C16 | C17 | H14 | 120.7° | 120.0° |
| C15 | C16 | C17 | H15 | 120.7° | 119.9° |
| C15 | C16 | C17 | O19 | 179.6° | 180.0° |
| C16 | C15 | C14 | H10 | 53.7° | 60.0° |
| C16 | C15 | C14 | H11 | 65.5° | 60.1° |
| C16 | C15 | H12 | H13 | 119.1° | 120.0° |
| C15 | C16 | H14 | H15 | 117.8° | 120.0° |
| O18 | C17 | C16 | O19 | 179.9° | 180.0° |
| O18 | C17 | C16 | H14 | 121.1° | 120.0° |
| O18 | C17 | C16 | H15 | 120.3° | 120.0° |
| O18 | C17 | O19 | H16 | 0.0° | 0.0° |
| C21 | N22 | H17 | H18 | 179.9° | 179.9° |
| O23 | C21 | N22 | H17 | 0.0° | 180.0° |
| O23 | C21 | N22 | H18 | 180.0° | 0.1° |
| C17 | C16 | C15 | H12 | 84.1° | 60.0° |
| C17 | C16 | C15 | H13 | 35.3° | 60.0° |
| C17 | C16 | H14 | H15 | 117.9° | 120.0° |
| C16 | C17 | O19 | H16 | 179.9° | 180.0° |
| O19 | C17 | C16 | H14 | 58.9° | 60.0° |
| O19 | C17 | C16 | H15 | 59.7° | 60.1° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H4 | C03 | C04 | H5 | 1.2° | 0.0° |
| H6 | C08 | H7 | H8 | 120.0° | 120.0° |
| H10 | C14 | C15 | H12 | 174.0° | 180.0° |
| H10 | C14 | C15 | H13 | 66.6° | 60.0° |
| H11 | C14 | C15 | H12 | 54.8° | 60.0° |
| H11 | C14 | C15 | H13 | 174.2° | 179.9° |
| H12 | C15 | C16 | H14 | 155.2° | 180.0° |
| H12 | C15 | C16 | H15 | 36.6° | 60.0° |
| H13 | C15 | C16 | H14 | 85.4° | 60.0° |
| H13 | C15 | C16 | H15 | 156.0° | 180.0° |
| H20 | C26 | H21 | H22 | 120.0° | 120.0° |
