W08
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N20 | C19 | sing | 1.38Å | 1.46Å | |
| C19 | N18 | doub | 1.33Å | 1.33Å | Aromatic |
| C19 | C21 | sing | 1.41Å | 1.44Å | Aromatic |
| N18 | C17 | sing | 1.32Å | 1.33Å | Aromatic |
| C17 | N16 | doub | 1.32Å | 1.33Å | Aromatic |
| C21 | N22 | sing | 1.35Å | 1.35Å | Aromatic |
| C21 | C15 | doub | 1.41Å | 1.35Å | Aromatic |
| N22 | C23 | doub | 1.30Å | 1.37Å | Aromatic |
| N16 | C15 | sing | 1.33Å | 1.38Å | Aromatic |
| C15 | N14 | sing | 1.37Å | 1.37Å | Aromatic |
| C06 | N07 | sing | 1.47Å | 1.44Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C23 | N14 | sing | 1.36Å | 1.37Å | Aromatic |
| C10 | N07 | sing | 1.47Å | 1.20Å | |
| N07 | C08 | sing | 1.47Å | 1.43Å | |
| N14 | C13 | sing | 1.47Å | 1.35Å | |
| C05 | C04 | sing | 1.53Å | 1.44Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C13 | O12 | sing | 1.44Å | 1.50Å | |
| C13 | C24 | sing | 1.54Å | 1.57Å | |
| N03 | C04 | sing | 1.47Å | 1.46Å | |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| C04 | C09 | sing | 1.53Å | 1.43Å | |
| O12 | C11 | sing | 1.44Å | 1.29Å | |
| C24 | O25 | sing | 1.43Å | 1.52Å | |
| C24 | C26 | sing | 1.54Å | 1.24Å | |
| C02 | C11 | sing | 1.51Å | 1.51Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C11 | C26 | sing | 1.55Å | 1.64Å | |
| C26 | O27 | sing | 1.43Å | 1.49Å | |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| N03 | H19 | sing | 0.97Å | 1.00Å | |
| N20 | H21 | sing | 0.97Å | 1.00Å | |
| N20 | H22 | sing | 0.97Å | 1.00Å | |
| O25 | H23 | sing | 0.97Å | 0.95Å | |
| O27 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N20 | C19 | N18 | 120.9° | 120.7° |
| N20 | C19 | C21 | 119.3° | 120.8° |
| C19 | N20 | H21 | 109.5° | 120.0° |
| C19 | N20 | H22 | 109.5° | 120.0° |
| N18 | C19 | C21 | 119.8° | 118.5° |
| C19 | N18 | C17 | 119.9° | 121.2° |
| C19 | C21 | N22 | 132.4° | 134.7° |
| C19 | C21 | C15 | 118.3° | 118.1° |
| N18 | C17 | N16 | 122.4° | 122.5° |
| N18 | C17 | H9 | 118.8° | 118.8° |
| C17 | N16 | C15 | 120.5° | 120.6° |
| N16 | C17 | H9 | 118.8° | 118.8° |
| N22 | C21 | C15 | 109.3° | 107.1° |
| C21 | N22 | C23 | 107.4° | 109.5° |
| C21 | C15 | N16 | 119.1° | 119.1° |
| C21 | C15 | N14 | 108.1° | 106.0° |
| N22 | C23 | N14 | 108.0° | 109.9° |
| N22 | C23 | H10 | 126.0° | 125.1° |
| N16 | C15 | N14 | 132.8° | 134.9° |
| C15 | N14 | C23 | 107.1° | 107.4° |
| C15 | N14 | C13 | 128.0° | 126.3° |
| N07 | C06 | C05 | 116.8° | 109.5° |
| C06 | N07 | C10 | 110.3° | 111.0° |
| C06 | N07 | C08 | 115.2° | 111.2° |
| N07 | C06 | H14 | 107.6° | 109.5° |
| N07 | C06 | H15 | 107.6° | 109.5° |
| C06 | C05 | C04 | 117.4° | 109.2° |
| C06 | C05 | H1 | 107.5° | 109.5° |
| C06 | C05 | H2 | 107.5° | 109.5° |
| C05 | C06 | H14 | 107.6° | 109.4° |
| C05 | C06 | H15 | 107.6° | 109.5° |
| C23 | N14 | C13 | 124.8° | 126.3° |
| N14 | C23 | H10 | 126.0° | 125.0° |
| C10 | N07 | C08 | 108.3° | 111.0° |
| N07 | C10 | H16 | 109.5° | 109.5° |
| N07 | C10 | H17 | 109.5° | 109.5° |
| N07 | C10 | H18 | 109.5° | 109.5° |
| N07 | C08 | C09 | 110.9° | 109.5° |
| N07 | C08 | H3 | 109.1° | 109.5° |
| N07 | C08 | H4 | 109.1° | 109.5° |
| N14 | C13 | O12 | 113.6° | 110.4° |
| N14 | C13 | C24 | 111.1° | 110.4° |
| N14 | C13 | H8 | 112.2° | 110.4° |
| C05 | C04 | N03 | 107.8° | 109.5° |
| C05 | C04 | C09 | 114.7° | 109.2° |
| C04 | C05 | H1 | 107.4° | 109.5° |
| C04 | C05 | H2 | 107.4° | 109.5° |
| C05 | C04 | H13 | 109.4° | 109.5° |
| C08 | C09 | C04 | 110.2° | 109.2° |
| C09 | C08 | H3 | 109.1° | 109.5° |
| C09 | C08 | H4 | 109.1° | 109.4° |
| C08 | C09 | H5 | 109.3° | 109.5° |
| C08 | C09 | H6 | 109.3° | 109.5° |
| O12 | C13 | C24 | 100.5° | 104.8° |
| C13 | O12 | C11 | 104.2° | 105.3° |
| O12 | C13 | H8 | 109.8° | 110.4° |
| C13 | C24 | O25 | 111.2° | 110.5° |
| C13 | C24 | C26 | 101.6° | 104.1° |
| C24 | C13 | H8 | 109.0° | 110.4° |
| C13 | C24 | H11 | 109.1° | 110.5° |
| C04 | N03 | C02 | 116.7° | 120.1° |
| N03 | C04 | C09 | 106.1° | 109.5° |
| N03 | C04 | H13 | 109.2° | 109.5° |
| C04 | N03 | H19 | 121.7° | 120.0° |
| N03 | C02 | C11 | 120.3° | 120.1° |
| N03 | C02 | O01 | 119.5° | 119.9° |
| C02 | N03 | H19 | 121.6° | 120.0° |
| C04 | C09 | H5 | 109.3° | 109.5° |
| C04 | C09 | H6 | 109.3° | 109.6° |
| C09 | C04 | H13 | 109.5° | 109.6° |
| O12 | C11 | C02 | 111.1° | 110.4° |
| O12 | C11 | C26 | 106.8° | 104.8° |
| O12 | C11 | H7 | 113.8° | 110.4° |
| O25 | C24 | C26 | 110.5° | 110.5° |
| O25 | C24 | H11 | 109.8° | 110.5° |
| C24 | O25 | H23 | 109.5° | 114.0° |
| C24 | C26 | C11 | 105.4° | 104.1° |
| C24 | C26 | O27 | 109.9° | 110.5° |
| C26 | C24 | H11 | 114.4° | 110.6° |
| C24 | C26 | H12 | 113.9° | 110.5° |
| C11 | C02 | O01 | 120.2° | 120.0° |
| C02 | C11 | C26 | 106.2° | 110.4° |
| C02 | C11 | H7 | 110.2° | 110.4° |
| C11 | C26 | O27 | 109.9° | 110.5° |
| C26 | C11 | H7 | 108.5° | 110.4° |
| C11 | C26 | H12 | 107.8° | 110.5° |
| O27 | C26 | H12 | 109.8° | 110.6° |
| C26 | O27 | H24 | 109.5° | 114.0° |
| H1 | C05 | H2 | 109.5° | 109.5° |
| H3 | C08 | H4 | 109.5° | 109.4° |
| H5 | C09 | H6 | 109.5° | 109.5° |
| H14 | C06 | H15 | 109.5° | 109.4° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H16 | C10 | H18 | 109.4° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.5° |
| H21 | N20 | H22 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N20 | C19 | N18 | C21 | 179.8° | 179.7° |
| N20 | C19 | N18 | C17 | 179.9° | 180.0° |
| N20 | C19 | C21 | N22 | 0.2° | 0.2° |
| N20 | C19 | C21 | C15 | 179.7° | 179.8° |
| C19 | N20 | H21 | H22 | 120.0° | 179.8° |
| C19 | N18 | C17 | N16 | 0.1° | 0.3° |
| N18 | C19 | C21 | N22 | 179.6° | 179.9° |
| N18 | C19 | C21 | C15 | 0.1° | 0.1° |
| C19 | N18 | C17 | H9 | 179.9° | 179.6° |
| N18 | C19 | N20 | H21 | 0.0° | 0.1° |
| N18 | C19 | N20 | H22 | 120.0° | 180.0° |
| C21 | C19 | N18 | C17 | 0.1° | 0.3° |
| C19 | C21 | N22 | C15 | 179.5° | 180.0° |
| C19 | C21 | N22 | C23 | 179.9° | 180.0° |
| C19 | C21 | C15 | N16 | 0.2° | 0.3° |
| C19 | C21 | C15 | N14 | 179.8° | 180.0° |
| C21 | C19 | N20 | H21 | 179.8° | 179.6° |
| C21 | C19 | N20 | H22 | 60.2° | 0.3° |
| N18 | C17 | N16 | H9 | 180.0° | 179.9° |
| N18 | C17 | N16 | C15 | 0.0° | 0.0° |
| C17 | N16 | C15 | C21 | 0.2° | 0.3° |
| C17 | N16 | C15 | N14 | 179.9° | 180.0° |
| N22 | C21 | C15 | N16 | 179.8° | 179.8° |
| N22 | C21 | C15 | N14 | 0.2° | 0.0° |
| C21 | N22 | C23 | N14 | 0.4° | 0.1° |
| C21 | N22 | C23 | H10 | 179.6° | 179.9° |
| C15 | C21 | N22 | C23 | 0.4° | 0.0° |
| C21 | C15 | N16 | N14 | 179.9° | 179.7° |
| C21 | C15 | N14 | C23 | 0.0° | 0.0° |
| C21 | C15 | N14 | C13 | 179.4° | 180.0° |
| N22 | C23 | N14 | C15 | 0.2° | 0.0° |
| N22 | C23 | N14 | H10 | 180.0° | 180.0° |
| N22 | C23 | N14 | C13 | 179.6° | 180.0° |
| N16 | C15 | N14 | C23 | 179.9° | 179.7° |
| N16 | C15 | N14 | C13 | 0.5° | 0.3° |
| C15 | N16 | C17 | H9 | 180.0° | 180.0° |
| C15 | N14 | C23 | C13 | 179.4° | 180.0° |
| C15 | N14 | C13 | O12 | 48.2° | 156.4° |
| C15 | N14 | C13 | C24 | 64.2° | 88.2° |
| C15 | N14 | C13 | H8 | 173.5° | 34.1° |
| C15 | N14 | C23 | H10 | 179.8° | 180.0° |
| N07 | C06 | C05 | H14 | 121.1° | 120.0° |
| N07 | C06 | C05 | H15 | 121.0° | 120.1° |
| C06 | N07 | C10 | C08 | 126.9° | 124.1° |
| N07 | C06 | C05 | C04 | 30.9° | 59.2° |
| C06 | N07 | C08 | C09 | 39.0° | 61.8° |
| N07 | C06 | C05 | H1 | 90.2° | 60.7° |
| N07 | C06 | C05 | H2 | 152.0° | 179.2° |
| C06 | N07 | C08 | H3 | 159.2° | 58.3° |
| C06 | N07 | C08 | H4 | 81.2° | 178.2° |
| N07 | C06 | H14 | H15 | 116.6° | 120.0° |
| C06 | N07 | C10 | H16 | 180.0° | 60.0° |
| C06 | N07 | C10 | H17 | 60.0° | 180.0° |
| C06 | N07 | C10 | H18 | 60.0° | 60.0° |
| C05 | C06 | N07 | C10 | 115.7° | 174.1° |
| C05 | C06 | N07 | C08 | 7.3° | 61.8° |
| C06 | C05 | C04 | H1 | 121.1° | 119.9° |
| C06 | C05 | C04 | H2 | 121.2° | 119.9° |
| C06 | C05 | C04 | N03 | 114.6° | 177.6° |
| C06 | C05 | C04 | C09 | 3.4° | 57.7° |
| C06 | C05 | H1 | H2 | 116.4° | 120.1° |
| C06 | C05 | C04 | H13 | 126.8° | 62.3° |
| C05 | C06 | H14 | H15 | 116.7° | 120.0° |
| C23 | N14 | C13 | O12 | 132.5° | 23.5° |
| C23 | N14 | C13 | C24 | 115.0° | 91.9° |
| C23 | N14 | C13 | H8 | 7.2° | 145.8° |
| C10 | N07 | C08 | C09 | 163.1° | 174.2° |
| C10 | N07 | C08 | H3 | 76.7° | 65.8° |
| C10 | N07 | C08 | H4 | 42.8° | 54.2° |
| C10 | N07 | C06 | H14 | 5.3° | 54.2° |
| C10 | N07 | C06 | H15 | 123.2° | 65.8° |
| N07 | C10 | H16 | H17 | 120.0° | 120.0° |
| N07 | C10 | H16 | H18 | 120.0° | 120.0° |
| N07 | C10 | H17 | H18 | 120.0° | 120.0° |
| N07 | C08 | C09 | H3 | 120.2° | 120.1° |
| N07 | C08 | C09 | H4 | 120.2° | 120.0° |
| N07 | C08 | C09 | C04 | 66.9° | 59.2° |
| N07 | C08 | H3 | H4 | 119.3° | 120.0° |
| N07 | C08 | C09 | H5 | 53.2° | 60.7° |
| N07 | C08 | C09 | H6 | 173.0° | 179.2° |
| C08 | N07 | C06 | H14 | 128.4° | 178.2° |
| C08 | N07 | C06 | H15 | 113.8° | 58.3° |
| C08 | N07 | C10 | H16 | 53.0° | 64.2° |
| C08 | N07 | C10 | H17 | 173.1° | 55.9° |
| C08 | N07 | C10 | H18 | 66.9° | 175.8° |
| N14 | C13 | O12 | C24 | 118.7° | 118.8° |
| N14 | C13 | O12 | H8 | 126.6° | 122.3° |
| N14 | C13 | C24 | H8 | 124.1° | 122.3° |
| N14 | C13 | O12 | C11 | 156.1° | 159.4° |
| N14 | C13 | C24 | O25 | 74.7° | 98.5° |
| N14 | C13 | C24 | C26 | 167.7° | 142.8° |
| C13 | N14 | C23 | H10 | 0.4° | 0.0° |
| N14 | C13 | C24 | H11 | 46.5° | 24.0° |
| C05 | C04 | C09 | C08 | 42.9° | 57.7° |
| C05 | C04 | N03 | C09 | 123.4° | 119.7° |
| C05 | C04 | N03 | H13 | 118.7° | 120.1° |
| C05 | C04 | N03 | C02 | 151.3° | 155.0° |
| C05 | C04 | C09 | H13 | 123.4° | 120.0° |
| C04 | C05 | H1 | H2 | 116.4° | 120.1° |
| C05 | C04 | C09 | H5 | 77.2° | 62.3° |
| C05 | C04 | C09 | H6 | 163.0° | 177.7° |
| C04 | C05 | C06 | H14 | 151.9° | 179.2° |
| C04 | C05 | C06 | H15 | 90.2° | 60.9° |
| C05 | C04 | N03 | H19 | 28.7° | 25.1° |
| C08 | C09 | C04 | N03 | 161.8° | 177.6° |
| C08 | C09 | C04 | H5 | 120.1° | 119.9° |
| C08 | C09 | C04 | H6 | 120.1° | 120.0° |
| C09 | C08 | H3 | H4 | 119.3° | 119.9° |
| C08 | C09 | H5 | H6 | 119.7° | 120.1° |
| C08 | C09 | C04 | H13 | 80.5° | 62.3° |
| O12 | C13 | C24 | H8 | 115.4° | 118.9° |
| O12 | C13 | C24 | O25 | 164.7° | 142.7° |
| O12 | C13 | C24 | C26 | 47.1° | 24.0° |
| C13 | O12 | C11 | C02 | 132.7° | 159.3° |
| C13 | O12 | C11 | C26 | 17.4° | 40.5° |
| C13 | O12 | C11 | H7 | 102.2° | 78.3° |
| O12 | C13 | C24 | H11 | 74.1° | 94.8° |
| C24 | C13 | O12 | C11 | 37.5° | 40.5° |
| C13 | C24 | O25 | C26 | 112.0° | 114.7° |
| C13 | C24 | O25 | H11 | 120.8° | 122.6° |
| C13 | C24 | C26 | H11 | 117.4° | 118.7° |
| C13 | C24 | C26 | C11 | 35.8° | 0.0° |
| C13 | C24 | C26 | O27 | 82.6° | 118.6° |
| C13 | C24 | C26 | H12 | 153.8° | 118.6° |
| C13 | C24 | O25 | H23 | 180.0° | 180.0° |
| C04 | N03 | C02 | H19 | 180.0° | 179.9° |
| N03 | C04 | C09 | H13 | 117.7° | 120.1° |
| C04 | N03 | C02 | C11 | 178.9° | 179.9° |
| C04 | N03 | C02 | O01 | 0.3° | 0.3° |
| N03 | C04 | C05 | H1 | 124.3° | 57.7° |
| N03 | C04 | C05 | H2 | 6.6° | 62.5° |
| N03 | C04 | C09 | H5 | 41.7° | 57.6° |
| N03 | C04 | C09 | H6 | 78.1° | 62.5° |
| C02 | N03 | C04 | C09 | 85.4° | 85.3° |
| N03 | C02 | C11 | O12 | 16.2° | 179.9° |
| N03 | C02 | C11 | O01 | 178.6° | 179.8° |
| N03 | C02 | C11 | C26 | 99.5° | 64.7° |
| N03 | C02 | C11 | H7 | 143.2° | 57.5° |
| C02 | N03 | C04 | H13 | 32.5° | 34.9° |
| C09 | C04 | C05 | H1 | 117.8° | 62.2° |
| C09 | C04 | C05 | H2 | 124.5° | 177.6° |
| C04 | C09 | C08 | H3 | 172.9° | 60.9° |
| C04 | C09 | C08 | H4 | 53.4° | 179.2° |
| C04 | C09 | H5 | H6 | 119.7° | 120.1° |
| C09 | C04 | N03 | H19 | 94.6° | 94.6° |
| O12 | C11 | C26 | C24 | 13.8° | 24.0° |
| O12 | C11 | C02 | C26 | 115.7° | 115.3° |
| O12 | C11 | C02 | H7 | 127.0° | 122.4° |
| O12 | C11 | C02 | O01 | 165.2° | 0.3° |
| O12 | C11 | C26 | H7 | 123.0° | 118.9° |
| O12 | C11 | C26 | O27 | 104.6° | 142.6° |
| C11 | O12 | C13 | H8 | 77.3° | 78.3° |
| O12 | C11 | C26 | H12 | 135.8° | 94.7° |
| O25 | C24 | C26 | H11 | 124.5° | 122.7° |
| O25 | C24 | C26 | C11 | 153.9° | 118.7° |
| O25 | C24 | C26 | O27 | 35.5° | 0.0° |
| O25 | C24 | C13 | H8 | 49.4° | 23.8° |
| O25 | C24 | C26 | H12 | 88.1° | 122.8° |
| C24 | C26 | C11 | C02 | 104.8° | 142.8° |
| C24 | C26 | C11 | O27 | 118.3° | 118.6° |
| C24 | C26 | C11 | H12 | 122.0° | 118.6° |
| C24 | C26 | O27 | H12 | 126.0° | 122.7° |
| C24 | C26 | C11 | H7 | 136.8° | 94.9° |
| C26 | C24 | C13 | H8 | 68.2° | 94.9° |
| C26 | C24 | O25 | H23 | 68.0° | 65.3° |
| C24 | C26 | O27 | H24 | 180.0° | 176.1° |
| C02 | C11 | C26 | H7 | 118.4° | 122.3° |
| C02 | C11 | C26 | O27 | 136.9° | 98.5° |
| C02 | C11 | C26 | H12 | 17.2° | 24.2° |
| C11 | C02 | N03 | H19 | 1.1° | 0.0° |
| O01 | C02 | C11 | C26 | 79.1° | 115.0° |
| O01 | C02 | C11 | H7 | 38.2° | 122.7° |
| O01 | C02 | N03 | H19 | 179.7° | 179.8° |
| C11 | C26 | O27 | H12 | 118.5° | 122.6° |
| C11 | C26 | C24 | H11 | 81.6° | 118.7° |
| C11 | C26 | O27 | H24 | 64.5° | 61.5° |
| O27 | C26 | C11 | H7 | 18.5° | 23.7° |
| O27 | C26 | C24 | H11 | 160.0° | 122.7° |
| H1 | C05 | C04 | H13 | 5.7° | 177.8° |
| H1 | C05 | C06 | H14 | 30.8° | 59.3° |
| H1 | C05 | C06 | H15 | 148.7° | 179.2° |
| H2 | C05 | C04 | H13 | 112.0° | 57.6° |
| H2 | C05 | C06 | H14 | 86.9° | 60.8° |
| H2 | C05 | C06 | H15 | 31.0° | 59.1° |
| H3 | C08 | C09 | H5 | 67.0° | 179.2° |
| H3 | C08 | C09 | H6 | 52.8° | 59.1° |
| H4 | C08 | C09 | H5 | 173.5° | 59.3° |
| H4 | C08 | C09 | H6 | 66.7° | 60.8° |
| H5 | C09 | C04 | H13 | 159.4° | 177.8° |
| H6 | C09 | C04 | H13 | 39.6° | 57.7° |
| H7 | C11 | C26 | H12 | 101.2° | 146.5° |
| H8 | C13 | C24 | H11 | 170.6° | 146.4° |
| H11 | C24 | C26 | H12 | 36.4° | 0.1° |
| H11 | C24 | O25 | H23 | 59.2° | 57.4° |
| H12 | C26 | O27 | H24 | 54.0° | 61.1° |
| H13 | C04 | N03 | H19 | 147.5° | 145.2° |
| H16 | C10 | H17 | H18 | 119.9° | 120.0° |
