WZU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.54Å | 1.50Å | |
| C25 | C21 | sing | 1.54Å | 1.51Å | |
| N19 | N20 | sing | 1.40Å | 1.37Å | Aromatic |
| N19 | C18 | sing | 1.35Å | 1.29Å | Aromatic |
| N20 | C16 | doub | 1.33Å | 1.34Å | Aromatic |
| C24 | O26 | sing | 1.45Å | 1.39Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C21 | C18 | sing | 1.50Å | 1.52Å | |
| C21 | C22 | sing | 1.54Å | 1.51Å | |
| C18 | C17 | doub | 1.35Å | 1.37Å | Aromatic |
| O26 | C02 | sing | 1.35Å | 1.40Å | |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | N15 | sing | 1.40Å | 1.45Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C02 | O01 | doub | 1.21Å | 1.20Å | |
| C02 | N03 | sing | 1.37Å | 1.43Å | |
| C04 | N03 | sing | 1.48Å | 1.48Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| N15 | C14 | sing | 1.40Å | 1.46Å | |
| C14 | N27 | doub | 1.31Å | 1.33Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.42Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| N27 | C10 | sing | 1.33Å | 1.33Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C08 | sing | 1.47Å | 1.53Å | |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| N07 | C08 | sing | 1.36Å | 1.46Å | |
| N07 | C06 | sing | 1.48Å | 1.45Å | |
| C08 | O09 | doub | 1.22Å | 1.19Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| N03 | H7 | sing | 0.97Å | 1.00Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| N07 | H14 | sing | 0.97Å | 1.00Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| N15 | H17 | sing | 0.97Å | 1.00Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| N19 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | C21 | 107.8° | 107.0° |
| C25 | C24 | O26 | 110.0° | 109.9° |
| C25 | C24 | C23 | 104.9° | 107.3° |
| C25 | C24 | H6 | 111.0° | 109.5° |
| C24 | C25 | H21 | 109.9° | 109.9° |
| C24 | C25 | H22 | 109.9° | 109.9° |
| C25 | C21 | C18 | 110.8° | 111.6° |
| C25 | C21 | C22 | 104.9° | 107.0° |
| C25 | C21 | H3 | 110.2° | 108.8° |
| C21 | C25 | H21 | 109.9° | 109.9° |
| C21 | C25 | H22 | 109.9° | 109.9° |
| N20 | N19 | C18 | 112.2° | 108.2° |
| N19 | N20 | C16 | 110.1° | 108.0° |
| N20 | N19 | H18 | 123.9° | 125.9° |
| N19 | C18 | C21 | 123.8° | 124.0° |
| N19 | C18 | C17 | 102.8° | 107.5° |
| C18 | N19 | H18 | 123.9° | 125.9° |
| N20 | C16 | C17 | 101.1° | 107.8° |
| N20 | C16 | N15 | 122.7° | 120.6° |
| O26 | C24 | C23 | 106.9° | 109.6° |
| C24 | O26 | C02 | 119.5° | 117.3° |
| O26 | C24 | H6 | 112.8° | 110.7° |
| C24 | C23 | C22 | 102.5° | 108.1° |
| C23 | C24 | H6 | 110.9° | 109.8° |
| C24 | C23 | H19 | 111.2° | 109.7° |
| C24 | C23 | H20 | 111.2° | 109.7° |
| C18 | C21 | C22 | 110.5° | 110.8° |
| C21 | C18 | C17 | 133.3° | 128.5° |
| C18 | C21 | H3 | 110.2° | 109.9° |
| C21 | C22 | C23 | 103.8° | 106.1° |
| C22 | C21 | H3 | 110.2° | 108.6° |
| C21 | C22 | H4 | 110.9° | 110.1° |
| C21 | C22 | H5 | 110.9° | 110.1° |
| C18 | C17 | C16 | 113.8° | 108.4° |
| C18 | C17 | H2 | 123.1° | 125.9° |
| O26 | C02 | O01 | 124.0° | 121.3° |
| O26 | C02 | N03 | 116.6° | 117.4° |
| C17 | C16 | N15 | 136.2° | 131.7° |
| C16 | C17 | H2 | 123.1° | 125.8° |
| C16 | N15 | C14 | 126.7° | 122.5° |
| C16 | N15 | H17 | 116.6° | 118.7° |
| C23 | C22 | H4 | 110.9° | 110.2° |
| C23 | C22 | H5 | 110.9° | 110.2° |
| C22 | C23 | H19 | 111.2° | 109.8° |
| C22 | C23 | H20 | 111.2° | 109.7° |
| O01 | C02 | N03 | 119.5° | 121.3° |
| C02 | N03 | C04 | 123.7° | 114.7° |
| C02 | N03 | H7 | 118.2° | 122.6° |
| N03 | C04 | C05 | 108.9° | 107.8° |
| C04 | N03 | H7 | 118.1° | 122.6° |
| N03 | C04 | H8 | 109.6° | 109.8° |
| N03 | C04 | H9 | 109.6° | 109.8° |
| C04 | C05 | C06 | 108.1° | 108.8° |
| C05 | C04 | H8 | 109.6° | 109.8° |
| C05 | C04 | H9 | 109.6° | 109.8° |
| C04 | C05 | H10 | 109.8° | 109.6° |
| C04 | C05 | H11 | 109.8° | 109.6° |
| N15 | C14 | N27 | 121.8° | 124.3° |
| N15 | C14 | C13 | 118.0° | 115.3° |
| C14 | N15 | H17 | 116.6° | 118.7° |
| N27 | C14 | C13 | 120.2° | 120.3° |
| C14 | N27 | C10 | 120.8° | 121.9° |
| C14 | C13 | C12 | 120.8° | 119.5° |
| C14 | C13 | H1 | 119.6° | 120.2° |
| C05 | C06 | N07 | 105.6° | 108.7° |
| C06 | C05 | H10 | 109.8° | 109.5° |
| C06 | C05 | H11 | 109.8° | 109.6° |
| C05 | C06 | H12 | 110.5° | 109.6° |
| C05 | C06 | H13 | 110.4° | 109.6° |
| N27 | C10 | C08 | 116.6° | 122.0° |
| N27 | C10 | C11 | 122.2° | 120.3° |
| C13 | C12 | C11 | 117.0° | 118.4° |
| C12 | C13 | H1 | 119.6° | 120.2° |
| C13 | C12 | H16 | 121.5° | 120.8° |
| C08 | C10 | C11 | 121.2° | 117.7° |
| C10 | C08 | N07 | 120.2° | 122.2° |
| C10 | C08 | O09 | 120.3° | 118.9° |
| C10 | C11 | C12 | 119.0° | 119.6° |
| C10 | C11 | H15 | 120.5° | 120.2° |
| C12 | C11 | H15 | 120.5° | 120.2° |
| C11 | C12 | H16 | 121.5° | 120.8° |
| C08 | N07 | C06 | 118.2° | 113.8° |
| N07 | C08 | O09 | 119.5° | 118.9° |
| C08 | N07 | H14 | 120.9° | 123.1° |
| N07 | C06 | H12 | 110.4° | 109.6° |
| N07 | C06 | H13 | 110.5° | 109.6° |
| C06 | N07 | H14 | 120.9° | 123.1° |
| H4 | C22 | H5 | 109.5° | 110.1° |
| H8 | C04 | H9 | 109.4° | 109.9° |
| H10 | C05 | H11 | 109.5° | 109.7° |
| H12 | C06 | H13 | 109.4° | 109.7° |
| H19 | C23 | H20 | 109.5° | 109.7° |
| H21 | C25 | H22 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | C21 | H21 | 119.7° | 119.3° |
| C24 | C25 | C21 | H22 | 119.7° | 119.3° |
| C25 | C24 | O26 | C23 | 113.4° | 117.7° |
| C25 | C24 | O26 | H6 | 124.5° | 121.1° |
| C25 | C24 | C23 | H6 | 119.9° | 118.9° |
| C24 | C25 | C21 | C18 | 127.3° | 140.1° |
| C24 | C25 | C21 | C22 | 8.1° | 18.8° |
| C25 | C24 | O26 | C02 | 163.9° | 48.9° |
| C25 | C24 | C23 | C22 | 35.1° | 4.6° |
| C24 | C25 | C21 | H3 | 110.6° | 98.5° |
| C25 | C24 | C23 | H19 | 154.0° | 115.1° |
| C25 | C24 | C23 | H20 | 83.8° | 124.3° |
| C24 | C25 | H21 | H22 | 120.8° | 121.3° |
| C25 | C21 | C18 | N19 | 90.4° | 179.6° |
| C21 | C25 | C24 | O26 | 97.5° | 127.8° |
| C21 | C25 | C24 | C23 | 17.1° | 8.7° |
| C25 | C21 | C18 | C22 | 115.8° | 119.1° |
| C25 | C21 | C18 | H3 | 122.2° | 120.8° |
| C25 | C21 | C22 | H3 | 118.6° | 117.4° |
| C25 | C21 | C18 | C17 | 87.1° | 0.2° |
| C25 | C21 | C22 | C23 | 29.7° | 21.5° |
| C25 | C21 | C22 | H4 | 148.8° | 140.7° |
| C25 | C21 | C22 | H5 | 89.3° | 97.7° |
| C21 | C25 | C24 | H6 | 137.0° | 110.3° |
| C21 | C25 | H21 | H22 | 120.8° | 121.2° |
| N20 | N19 | C18 | H18 | 180.0° | 180.0° |
| N20 | N19 | C18 | C21 | 177.0° | 176.2° |
| N20 | N19 | C18 | C17 | 1.1° | 4.4° |
| N19 | N20 | C16 | C17 | 0.1° | 1.5° |
| N19 | N20 | C16 | N15 | 179.9° | 177.8° |
| C18 | N19 | N20 | C16 | 0.7° | 1.8° |
| N19 | C18 | C21 | C17 | 177.5° | 179.3° |
| N19 | C18 | C21 | C22 | 153.8° | 60.4° |
| N19 | C18 | C17 | C16 | 1.2° | 5.3° |
| N19 | C18 | C17 | H2 | 178.8° | 174.7° |
| N19 | C18 | C21 | H3 | 31.8° | 59.6° |
| N20 | C16 | C17 | C18 | 0.8° | 4.2° |
| N20 | C16 | C17 | N15 | 180.0° | 179.2° |
| N20 | C16 | N15 | C14 | 145.7° | 139.9° |
| N20 | C16 | C17 | H2 | 179.2° | 175.8° |
| N20 | C16 | N15 | H17 | 34.3° | 40.1° |
| C16 | N20 | N19 | H18 | 179.3° | 178.2° |
| O26 | C24 | C23 | H6 | 123.3° | 121.8° |
| O26 | C24 | C23 | C22 | 81.7° | 114.7° |
| C24 | O26 | C02 | O01 | 15.8° | 1.5° |
| C24 | O26 | C02 | N03 | 164.1° | 178.6° |
| O26 | C24 | C23 | H19 | 37.2° | 125.6° |
| O26 | C24 | C23 | H20 | 159.4° | 5.0° |
| O26 | C24 | C25 | H21 | 142.7° | 8.5° |
| O26 | C24 | C25 | H22 | 22.2° | 112.9° |
| C24 | C23 | C22 | C21 | 40.3° | 16.1° |
| C23 | C24 | O26 | C02 | 82.7° | 166.6° |
| C24 | C23 | C22 | H19 | 118.9° | 119.7° |
| C24 | C23 | C22 | H20 | 118.8° | 119.7° |
| C24 | C23 | C22 | H4 | 159.4° | 135.3° |
| C24 | C23 | C22 | H5 | 78.8° | 103.1° |
| C24 | C23 | H19 | H20 | 123.2° | 120.6° |
| C23 | C24 | C25 | H21 | 102.6° | 110.6° |
| C23 | C24 | C25 | H22 | 136.8° | 128.0° |
| C18 | C21 | C22 | H3 | 122.0° | 120.8° |
| C21 | C18 | C17 | C16 | 176.6° | 175.3° |
| C18 | C21 | C22 | C23 | 149.1° | 143.4° |
| C21 | C18 | C17 | H2 | 3.3° | 4.7° |
| C18 | C21 | C22 | H4 | 91.8° | 97.5° |
| C18 | C21 | C22 | H5 | 30.1° | 24.1° |
| C18 | C21 | C25 | H21 | 113.0° | 20.8° |
| C18 | C21 | C25 | H22 | 7.5° | 100.6° |
| C21 | C18 | N19 | H18 | 3.0° | 3.8° |
| C22 | C21 | C18 | C17 | 28.7° | 118.9° |
| C21 | C22 | C23 | H4 | 119.1° | 119.1° |
| C21 | C22 | C23 | H5 | 119.1° | 119.2° |
| C21 | C22 | H4 | H5 | 122.6° | 121.6° |
| C21 | C22 | C23 | H19 | 159.1° | 103.5° |
| C21 | C22 | C23 | H20 | 78.6° | 135.8° |
| C22 | C21 | C25 | H21 | 127.8° | 100.6° |
| C22 | C21 | C25 | H22 | 111.6° | 138.1° |
| C18 | C17 | C16 | H2 | 180.0° | 180.0° |
| C18 | C17 | C16 | N15 | 179.2° | 175.0° |
| C17 | C18 | C21 | H3 | 150.7° | 121.1° |
| C17 | C18 | N19 | H18 | 178.9° | 175.6° |
| O26 | C02 | O01 | N03 | 179.9° | 179.9° |
| O26 | C02 | N03 | C04 | 11.9° | 175.6° |
| C02 | O26 | C24 | H6 | 39.4° | 72.2° |
| O26 | C02 | N03 | H7 | 168.2° | 4.5° |
| C17 | C16 | N15 | C14 | 34.3° | 41.0° |
| C17 | C16 | N15 | H17 | 145.8° | 139.0° |
| C16 | N15 | C14 | H17 | 180.0° | 180.0° |
| C16 | N15 | C14 | N27 | 11.7° | 35.9° |
| C16 | N15 | C14 | C13 | 170.3° | 144.9° |
| N15 | C16 | C17 | H2 | 0.8° | 5.0° |
| C23 | C22 | C21 | H3 | 88.9° | 95.9° |
| C23 | C22 | H4 | H5 | 122.6° | 121.7° |
| C22 | C23 | C24 | H6 | 155.0° | 123.5° |
| C22 | C23 | H19 | H20 | 123.3° | 120.7° |
| O01 | C02 | N03 | C04 | 168.0° | 4.6° |
| O01 | C02 | N03 | H7 | 11.9° | 175.4° |
| C02 | N03 | C04 | H7 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 142.1° | 125.9° |
| C02 | N03 | C04 | H8 | 22.1° | 6.3° |
| C02 | N03 | C04 | H9 | 98.0° | 114.6° |
| N03 | C04 | C05 | H8 | 119.9° | 119.5° |
| N03 | C04 | C05 | H9 | 119.9° | 119.6° |
| N03 | C04 | C05 | C06 | 64.4° | 124.5° |
| N03 | C04 | H8 | H9 | 120.3° | 120.8° |
| N03 | C04 | C05 | H10 | 175.8° | 115.8° |
| N03 | C04 | C05 | H11 | 55.4° | 4.7° |
| C04 | C05 | C06 | H10 | 119.8° | 119.7° |
| C04 | C05 | C06 | H11 | 119.8° | 119.8° |
| C04 | C05 | C06 | N07 | 74.8° | 90.6° |
| C05 | C04 | N03 | H7 | 38.0° | 54.2° |
| C05 | C04 | H8 | H9 | 120.3° | 120.9° |
| C04 | C05 | H10 | H11 | 120.6° | 120.4° |
| C04 | C05 | C06 | H12 | 165.9° | 29.2° |
| C04 | C05 | C06 | H13 | 44.7° | 149.6° |
| N15 | C14 | N27 | C13 | 177.9° | 179.2° |
| N15 | C14 | N27 | C10 | 177.5° | 177.8° |
| N15 | C14 | C13 | C12 | 178.8° | 178.6° |
| N15 | C14 | C13 | H1 | 1.2° | 1.3° |
| N27 | C14 | C13 | C12 | 0.9° | 0.6° |
| C14 | N27 | C10 | C08 | 180.0° | 178.3° |
| C14 | N27 | C10 | C11 | 1.6° | 1.3° |
| N27 | C14 | C13 | H1 | 179.1° | 179.5° |
| N27 | C14 | N15 | H17 | 168.3° | 144.1° |
| C13 | C14 | N27 | C10 | 0.4° | 1.4° |
| C14 | C13 | C12 | H1 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.8° | 0.3° |
| C14 | C13 | C12 | H16 | 179.2° | 179.7° |
| C13 | C14 | N15 | H17 | 9.6° | 35.1° |
| C05 | C06 | N07 | C08 | 77.1° | 119.3° |
| C05 | C06 | N07 | H12 | 119.4° | 119.7° |
| C05 | C06 | N07 | H13 | 119.4° | 119.7° |
| C06 | C05 | C04 | H8 | 55.5° | 4.9° |
| C06 | C05 | C04 | H9 | 175.7° | 116.0° |
| C06 | C05 | H10 | H11 | 120.7° | 120.3° |
| C05 | C06 | H12 | H13 | 121.8° | 120.3° |
| C05 | C06 | N07 | H14 | 102.8° | 60.7° |
| N27 | C10 | C08 | C11 | 178.4° | 179.6° |
| N27 | C10 | C11 | C12 | 1.7° | 0.3° |
| N27 | C10 | C08 | N07 | 10.9° | 1.1° |
| N27 | C10 | C08 | O09 | 169.0° | 178.9° |
| N27 | C10 | C11 | H15 | 178.3° | 179.7° |
| C13 | C12 | C11 | C10 | 0.4° | 0.4° |
| C13 | C12 | C11 | H16 | 180.0° | 180.0° |
| C13 | C12 | C11 | H15 | 179.6° | 179.5° |
| C08 | C10 | C11 | C12 | 179.9° | 179.3° |
| C10 | C08 | N07 | O09 | 179.9° | 179.9° |
| C10 | C08 | N07 | C06 | 178.5° | 170.2° |
| C10 | C08 | N07 | H14 | 1.4° | 9.8° |
| C08 | C10 | C11 | H15 | 0.1° | 0.7° |
| C10 | C11 | C12 | H15 | 180.0° | 179.9° |
| C11 | C10 | C08 | N07 | 170.8° | 179.3° |
| C11 | C10 | C08 | O09 | 9.4° | 0.7° |
| C10 | C11 | C12 | H16 | 179.6° | 179.6° |
| C11 | C12 | C13 | H1 | 179.2° | 179.6° |
| C08 | N07 | C06 | H14 | 180.0° | 180.0° |
| C08 | N07 | C06 | H12 | 42.3° | 120.9° |
| C08 | N07 | C06 | H13 | 163.5° | 0.4° |
| C06 | N07 | C08 | O09 | 1.3° | 9.9° |
| N07 | C06 | C05 | H10 | 45.0° | 149.6° |
| N07 | C06 | C05 | H11 | 165.5° | 29.2° |
| N07 | C06 | H12 | H13 | 121.8° | 120.5° |
| O09 | C08 | N07 | H14 | 178.7° | 170.2° |
| H1 | C13 | C12 | H16 | 0.8° | 0.4° |
| H3 | C21 | C22 | H4 | 30.2° | 23.3° |
| H3 | C21 | C22 | H5 | 152.0° | 144.9° |
| H3 | C21 | C25 | H21 | 9.2° | 142.2° |
| H3 | C21 | C25 | H22 | 129.7° | 20.8° |
| H4 | C22 | C23 | H19 | 81.8° | 15.6° |
| H4 | C22 | C23 | H20 | 40.5° | 105.0° |
| H5 | C22 | C23 | H19 | 40.1° | 137.3° |
| H5 | C22 | C23 | H20 | 162.4° | 16.6° |
| H6 | C24 | C23 | H19 | 86.2° | 3.9° |
| H6 | C24 | C23 | H20 | 36.1° | 116.8° |
| H6 | C24 | C25 | H21 | 17.2° | 130.3° |
| H6 | C24 | C25 | H22 | 103.3° | 8.9° |
| H7 | N03 | C04 | H8 | 157.9° | 173.8° |
| H7 | N03 | C04 | H9 | 81.9° | 65.4° |
| H8 | C04 | C05 | H10 | 64.3° | 124.6° |
| H8 | C04 | C05 | H11 | 175.3° | 114.9° |
| H9 | C04 | C05 | H10 | 55.9° | 3.7° |
| H9 | C04 | C05 | H11 | 64.5° | 124.2° |
| H10 | C05 | C06 | H12 | 74.4° | 90.6° |
| H10 | C05 | C06 | H13 | 164.4° | 29.9° |
| H11 | C05 | C06 | H12 | 46.1° | 149.0° |
| H11 | C05 | C06 | H13 | 75.1° | 90.6° |
| H12 | C06 | N07 | H14 | 137.8° | 59.0° |
| H13 | C06 | N07 | H14 | 16.6° | 179.6° |
| H15 | C11 | C12 | H16 | 0.4° | 0.5° |
