6U9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | N22 | doub | 1.22Å | 1.25Å | |
| N22 | O23 | sing | 1.22Å | 1.45Å | |
| N22 | C18 | sing | 1.48Å | 1.52Å | |
| C01 | O02 | sing | 1.43Å | 1.41Å | |
| O02 | C03 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | sing | 1.38Å | 1.44Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.36Å | Aromatic |
| C04 | O05 | sing | 1.43Å | 1.43Å | |
| C21 | C16 | sing | 1.38Å | 1.36Å | Aromatic |
| O05 | C06 | sing | 1.35Å | 1.38Å | |
| C16 | C15 | sing | 1.51Å | 1.69Å | |
| C06 | O07 | doub | 1.22Å | 1.25Å | |
| C06 | C08 | sing | 1.41Å | 1.54Å | |
| C15 | C08 | sing | 1.50Å | 1.55Å | |
| C15 | C14 | sing | 1.50Å | 1.59Å | |
| O26 | C25 | doub | 1.22Å | 1.19Å | |
| C08 | C09 | doub | 1.34Å | 1.45Å | |
| C25 | C14 | sing | 1.41Å | 1.62Å | |
| C25 | O27 | sing | 1.35Å | 1.43Å | |
| C14 | C12 | doub | 1.34Å | 1.44Å | |
| C09 | C10 | sing | 1.51Å | 1.43Å | |
| C09 | N11 | sing | 1.37Å | 1.46Å | |
| C28 | O27 | sing | 1.43Å | 1.48Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.56Å | |
| C12 | N11 | sing | 1.37Å | 1.47Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| N11 | H17 | sing | 0.97Å | 1.00Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | N22 | O23 | 116.9° | 120.1° |
| O24 | N22 | C18 | 126.1° | 120.0° |
| O23 | N22 | C18 | 117.0° | 120.0° |
| N22 | C18 | C19 | 117.5° | 120.0° |
| N22 | C18 | C17 | 125.0° | 120.0° |
| C01 | O02 | C03 | 117.8° | 114.0° |
| O02 | C01 | H8 | 109.5° | 109.5° |
| O02 | C01 | H9 | 109.5° | 109.5° |
| O02 | C01 | H10 | 109.5° | 109.5° |
| O02 | C03 | C04 | 112.9° | 109.5° |
| O02 | C03 | H11 | 108.6° | 109.5° |
| O02 | C03 | H12 | 108.6° | 109.5° |
| C18 | C19 | C20 | 120.1° | 120.0° |
| C19 | C18 | C17 | 117.5° | 120.0° |
| C18 | C19 | H22 | 120.0° | 120.1° |
| C19 | C20 | C21 | 119.5° | 120.0° |
| C20 | C19 | H22 | 120.0° | 119.9° |
| C19 | C20 | H23 | 120.2° | 120.0° |
| C03 | C04 | O05 | 110.7° | 109.5° |
| C04 | C03 | H11 | 108.6° | 109.5° |
| C04 | C03 | H12 | 108.6° | 109.4° |
| C03 | C04 | H13 | 109.1° | 109.5° |
| C03 | C04 | H14 | 109.2° | 109.5° |
| C18 | C17 | C16 | 121.4° | 119.9° |
| C18 | C17 | H21 | 119.3° | 120.0° |
| C20 | C21 | C16 | 121.3° | 120.0° |
| C21 | C20 | H23 | 120.2° | 120.0° |
| C20 | C21 | H24 | 119.4° | 120.0° |
| C17 | C16 | C21 | 120.1° | 120.0° |
| C17 | C16 | C15 | 121.3° | 120.0° |
| C16 | C17 | H21 | 119.3° | 120.0° |
| C04 | O05 | C06 | 111.6° | 117.0° |
| O05 | C04 | H13 | 109.1° | 109.4° |
| O05 | C04 | H14 | 109.2° | 109.5° |
| C21 | C16 | C15 | 118.5° | 120.0° |
| C16 | C21 | H24 | 119.4° | 120.0° |
| O05 | C06 | O07 | 119.2° | 120.0° |
| O05 | C06 | C08 | 122.1° | 120.0° |
| C16 | C15 | C08 | 110.3° | 109.2° |
| C16 | C15 | C14 | 111.2° | 109.5° |
| C16 | C15 | H20 | 105.2° | 109.1° |
| O07 | C06 | C08 | 118.3° | 120.0° |
| C06 | C08 | C15 | 120.6° | 119.3° |
| C06 | C08 | C09 | 115.3° | 119.3° |
| C08 | C15 | C14 | 116.6° | 110.8° |
| C15 | C08 | C09 | 119.8° | 121.4° |
| C08 | C15 | H20 | 106.6° | 109.2° |
| C15 | C14 | C25 | 115.7° | 119.3° |
| C15 | C14 | C12 | 117.7° | 121.4° |
| C14 | C15 | H20 | 106.1° | 109.0° |
| O26 | C25 | C14 | 115.7° | 120.0° |
| O26 | C25 | O27 | 115.7° | 120.0° |
| C08 | C09 | C10 | 120.2° | 119.6° |
| C08 | C09 | N11 | 117.6° | 120.9° |
| C14 | C25 | O27 | 127.9° | 120.0° |
| C25 | C14 | C12 | 123.8° | 119.3° |
| C25 | O27 | C28 | 126.4° | 117.0° |
| C14 | C12 | N11 | 120.3° | 120.9° |
| C14 | C12 | C13 | 128.8° | 119.6° |
| C10 | C09 | N11 | 117.7° | 119.5° |
| C09 | C10 | H5 | 109.5° | 109.5° |
| C09 | C10 | H6 | 109.5° | 109.5° |
| C09 | C10 | H7 | 109.5° | 109.5° |
| C09 | N11 | C12 | 119.8° | 120.3° |
| C09 | N11 | H17 | 120.1° | 119.8° |
| O27 | C28 | C30 | 107.0° | 109.5° |
| O27 | C28 | C29 | 115.1° | 109.5° |
| O27 | C28 | H25 | 110.7° | 109.4° |
| C30 | C28 | C29 | 104.0° | 109.5° |
| C30 | C28 | H25 | 110.1° | 109.5° |
| C28 | C30 | H29 | 109.5° | 109.5° |
| C28 | C30 | H30 | 109.5° | 109.4° |
| C28 | C30 | H31 | 109.5° | 109.4° |
| C29 | C28 | H25 | 109.7° | 109.5° |
| C28 | C29 | H26 | 109.5° | 109.4° |
| C28 | C29 | H27 | 109.5° | 109.5° |
| C28 | C29 | H28 | 109.5° | 109.5° |
| N11 | C12 | C13 | 110.0° | 119.6° |
| C12 | N11 | H17 | 120.1° | 119.9° |
| C12 | C13 | H1 | 109.5° | 109.5° |
| C12 | C13 | H2 | 109.5° | 109.5° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.4° | 109.5° |
| H1 | C13 | H3 | 109.5° | 109.4° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H7 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.4° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H8 | C01 | H10 | 109.5° | 109.4° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H13 | C04 | H14 | 109.5° | 109.5° |
| H26 | C29 | H27 | 109.4° | 109.4° |
| H26 | C29 | H28 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.6° |
| H29 | C30 | H31 | 109.5° | 109.4° |
| H30 | C30 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | N22 | O23 | C18 | 179.8° | 180.0° |
| O24 | N22 | C18 | C19 | 13.2° | 0.1° |
| O24 | N22 | C18 | C17 | 168.1° | 180.0° |
| O23 | N22 | C18 | C19 | 166.6° | 180.0° |
| O23 | N22 | C18 | C17 | 12.1° | 0.0° |
| N22 | C18 | C19 | C17 | 178.8° | 179.9° |
| N22 | C18 | C19 | C20 | 180.0° | 180.0° |
| N22 | C18 | C17 | C16 | 179.6° | 179.9° |
| N22 | C18 | C17 | H21 | 0.4° | 0.1° |
| N22 | C18 | C19 | H22 | 0.0° | 0.0° |
| C01 | O02 | C03 | C04 | 78.4° | 180.0° |
| O02 | C01 | H8 | H9 | 120.0° | 120.0° |
| O02 | C01 | H8 | H10 | 120.0° | 120.0° |
| O02 | C01 | H9 | H10 | 120.0° | 120.1° |
| C01 | O02 | C03 | H11 | 161.0° | 60.0° |
| C01 | O02 | C03 | H12 | 42.1° | 60.0° |
| O02 | C03 | C04 | H11 | 120.5° | 120.0° |
| O02 | C03 | C04 | H12 | 120.5° | 120.0° |
| O02 | C03 | C04 | O05 | 155.4° | 65.0° |
| C03 | O02 | C01 | H8 | 180.0° | 60.0° |
| C03 | O02 | C01 | H9 | 60.0° | 60.0° |
| C03 | O02 | C01 | H10 | 60.0° | 180.0° |
| O02 | C03 | H11 | H12 | 118.4° | 120.0° |
| O02 | C03 | C04 | H13 | 84.5° | 175.0° |
| O02 | C03 | C04 | H14 | 35.2° | 55.0° |
| C18 | C19 | C20 | H22 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 1.0° | 0.2° |
| C19 | C18 | C17 | C16 | 1.7° | 0.0° |
| C19 | C18 | C17 | H21 | 178.3° | 180.0° |
| C18 | C19 | C20 | H23 | 179.0° | 180.0° |
| C20 | C19 | C18 | C17 | 1.2° | 0.0° |
| C19 | C20 | C21 | H23 | 180.0° | 179.9° |
| C19 | C20 | C21 | C16 | 3.1° | 0.4° |
| C19 | C20 | C21 | H24 | 176.9° | 180.0° |
| C03 | C04 | O05 | H13 | 120.2° | 120.0° |
| C03 | C04 | O05 | H14 | 120.2° | 120.0° |
| C03 | C04 | O05 | C06 | 147.0° | 180.0° |
| C04 | C03 | H11 | H12 | 118.4° | 120.0° |
| C03 | C04 | H13 | H14 | 119.4° | 120.0° |
| C18 | C17 | C16 | H21 | 180.0° | 180.0° |
| C18 | C17 | C16 | C21 | 0.3° | 0.3° |
| C18 | C17 | C16 | C15 | 175.6° | 180.0° |
| C17 | C18 | C19 | H22 | 178.8° | 180.0° |
| C20 | C21 | C16 | C17 | 2.7° | 0.5° |
| C20 | C21 | C16 | H24 | 180.0° | 179.6° |
| C20 | C21 | C16 | C15 | 178.2° | 179.8° |
| C21 | C20 | C19 | H22 | 179.0° | 179.8° |
| C17 | C16 | C21 | C15 | 175.5° | 179.7° |
| C17 | C16 | C15 | C08 | 154.2° | 120.0° |
| C17 | C16 | C15 | C14 | 74.8° | 118.6° |
| C17 | C16 | C15 | H20 | 39.6° | 0.6° |
| C17 | C16 | C21 | H24 | 177.3° | 179.9° |
| C04 | O05 | C06 | O07 | 5.9° | 0.0° |
| C04 | O05 | C06 | C08 | 178.3° | 180.0° |
| O05 | C04 | C03 | H11 | 34.9° | 55.0° |
| O05 | C04 | C03 | H12 | 84.1° | 175.0° |
| O05 | C04 | H13 | H14 | 119.4° | 120.0° |
| C21 | C16 | C15 | C08 | 30.4° | 60.3° |
| C21 | C16 | C15 | C14 | 100.6° | 61.1° |
| C21 | C16 | C15 | H20 | 144.9° | 179.6° |
| C21 | C16 | C17 | H21 | 179.7° | 179.7° |
| C16 | C21 | C20 | H23 | 176.9° | 179.7° |
| O05 | C06 | O07 | C08 | 172.7° | 180.0° |
| O05 | C06 | C08 | C15 | 93.2° | 102.5° |
| O05 | C06 | C08 | C09 | 109.9° | 76.9° |
| C06 | O05 | C04 | H13 | 26.8° | 60.0° |
| C06 | O05 | C04 | H14 | 92.9° | 60.0° |
| C16 | C15 | C08 | C06 | 69.8° | 75.2° |
| C16 | C15 | C08 | C14 | 128.1° | 120.7° |
| C16 | C15 | C08 | H20 | 113.7° | 119.3° |
| C16 | C15 | C14 | H20 | 113.9° | 119.3° |
| C16 | C15 | C08 | C09 | 134.2° | 104.2° |
| C16 | C15 | C14 | C25 | 69.8° | 75.6° |
| C16 | C15 | C14 | C12 | 128.2° | 104.3° |
| C15 | C16 | C17 | H21 | 4.4° | 0.0° |
| C15 | C16 | C21 | H24 | 1.8° | 0.2° |
| O07 | C06 | C08 | C15 | 94.4° | 77.6° |
| O07 | C06 | C08 | C09 | 62.6° | 103.0° |
| C06 | C08 | C15 | C09 | 156.0° | 179.4° |
| C06 | C08 | C15 | C14 | 162.1° | 164.2° |
| C06 | C08 | C09 | C10 | 24.2° | 0.4° |
| C06 | C08 | C09 | N11 | 179.7° | 179.6° |
| C06 | C08 | C15 | H20 | 43.9° | 44.1° |
| C08 | C15 | C14 | H20 | 118.4° | 120.2° |
| C08 | C15 | C14 | C25 | 162.5° | 163.9° |
| C08 | C15 | C14 | C12 | 0.5° | 16.2° |
| C15 | C08 | C09 | C10 | 178.6° | 179.0° |
| C15 | C08 | C09 | N11 | 22.6° | 1.0° |
| C15 | C14 | C25 | O26 | 1.2° | 180.0° |
| C14 | C15 | C08 | C09 | 6.1° | 16.4° |
| C15 | C14 | C25 | C12 | 160.8° | 179.9° |
| C15 | C14 | C25 | O27 | 167.9° | 0.0° |
| C15 | C14 | C12 | N11 | 11.7° | 0.4° |
| C15 | C14 | C12 | C13 | 179.9° | 179.9° |
| O26 | C25 | C14 | O27 | 169.1° | 180.0° |
| O26 | C25 | C14 | C12 | 162.0° | 0.1° |
| O26 | C25 | O27 | C28 | 12.9° | 0.0° |
| C08 | C09 | C10 | N11 | 156.0° | 180.0° |
| C08 | C09 | N11 | C12 | 34.5° | 17.1° |
| C08 | C09 | C10 | H5 | 180.0° | 85.9° |
| C08 | C09 | C10 | H6 | 60.0° | 154.1° |
| C08 | C09 | C10 | H7 | 60.0° | 34.2° |
| C08 | C09 | N11 | H17 | 145.5° | 162.9° |
| C09 | C08 | C15 | H20 | 112.1° | 136.5° |
| C14 | C25 | O27 | C28 | 177.9° | 179.9° |
| C25 | C14 | C12 | N11 | 172.1° | 179.6° |
| C25 | C14 | C12 | C13 | 19.7° | 0.0° |
| C25 | C14 | C15 | H20 | 44.0° | 43.7° |
| O27 | C25 | C14 | C12 | 7.2° | 179.9° |
| C25 | O27 | C28 | C30 | 121.5° | 90.0° |
| C25 | O27 | C28 | C29 | 123.6° | 150.0° |
| C25 | O27 | C28 | H25 | 1.5° | 30.0° |
| C14 | C12 | N11 | C09 | 29.3° | 17.3° |
| C14 | C12 | N11 | C13 | 170.2° | 179.7° |
| C14 | C12 | C13 | H1 | 180.0° | 179.6° |
| C14 | C12 | C13 | H2 | 60.0° | 60.3° |
| C14 | C12 | C13 | H3 | 60.0° | 59.7° |
| C14 | C12 | N11 | H17 | 150.7° | 162.7° |
| C12 | C14 | C15 | H20 | 117.9° | 136.4° |
| C10 | C09 | N11 | C12 | 168.9° | 162.9° |
| C09 | C10 | H5 | H6 | 120.0° | 120.0° |
| C09 | C10 | H5 | H7 | 120.0° | 120.0° |
| C09 | C10 | H6 | H7 | 120.0° | 120.0° |
| C10 | C09 | N11 | H17 | 11.2° | 17.1° |
| C09 | N11 | C12 | H17 | 180.0° | 180.0° |
| C09 | N11 | C12 | C13 | 160.5° | 162.3° |
| N11 | C09 | C10 | H5 | 24.0° | 94.1° |
| N11 | C09 | C10 | H6 | 144.0° | 25.9° |
| N11 | C09 | C10 | H7 | 96.1° | 145.8° |
| O27 | C28 | C30 | C29 | 122.2° | 120.0° |
| O27 | C28 | C30 | H25 | 120.4° | 120.0° |
| O27 | C28 | C29 | H25 | 125.6° | 120.0° |
| O27 | C28 | C29 | H26 | 180.0° | 60.1° |
| O27 | C28 | C29 | H27 | 60.0° | 180.0° |
| O27 | C28 | C29 | H28 | 60.0° | 59.9° |
| O27 | C28 | C30 | H29 | 180.0° | 179.9° |
| O27 | C28 | C30 | H30 | 60.0° | 60.0° |
| O27 | C28 | C30 | H31 | 60.0° | 60.0° |
| C30 | C28 | C29 | H25 | 117.7° | 120.0° |
| C30 | C28 | C29 | H26 | 63.4° | 60.0° |
| C30 | C28 | C29 | H27 | 176.7° | 60.0° |
| C30 | C28 | C29 | H28 | 56.7° | 180.0° |
| C28 | C30 | H29 | H30 | 120.0° | 120.0° |
| C28 | C30 | H29 | H31 | 120.0° | 119.9° |
| C28 | C30 | H30 | H31 | 120.0° | 119.9° |
| C28 | C29 | H26 | H27 | 120.0° | 120.0° |
| C28 | C29 | H26 | H28 | 120.0° | 120.0° |
| C28 | C29 | H27 | H28 | 120.0° | 120.1° |
| C29 | C28 | C30 | H29 | 57.8° | 60.0° |
| C29 | C28 | C30 | H30 | 62.2° | 60.1° |
| C29 | C28 | C30 | H31 | 177.8° | 180.0° |
| N11 | C12 | C13 | H1 | 10.9° | 0.0° |
| N11 | C12 | C13 | H2 | 109.1° | 120.0° |
| N11 | C12 | C13 | H3 | 130.9° | 120.0° |
| C12 | C13 | H1 | H2 | 120.0° | 120.0° |
| C12 | C13 | H1 | H3 | 120.0° | 120.0° |
| C12 | C13 | H2 | H3 | 120.0° | 120.0° |
| C13 | C12 | N11 | H17 | 19.5° | 17.7° |
| H1 | C13 | H2 | H3 | 120.0° | 120.0° |
| H5 | C10 | H6 | H7 | 120.0° | 120.0° |
| H8 | C01 | H9 | H10 | 120.0° | 119.9° |
| H11 | C03 | C04 | H13 | 155.0° | 65.0° |
| H11 | C03 | C04 | H14 | 85.3° | 174.9° |
| H12 | C03 | C04 | H13 | 36.0° | 55.1° |
| H12 | C03 | C04 | H14 | 155.7° | 65.0° |
| H22 | C19 | C20 | H23 | 1.0° | 0.0° |
| H23 | C20 | C21 | H24 | 3.1° | 0.1° |
| H25 | C28 | C29 | H26 | 54.4° | 180.0° |
| H25 | C28 | C29 | H27 | 65.6° | 60.0° |
| H25 | C28 | C29 | H28 | 174.4° | 60.0° |
| H25 | C28 | C30 | H29 | 59.6° | 59.9° |
| H25 | C28 | C30 | H30 | 179.6° | 180.0° |
| H25 | C28 | C30 | H31 | 60.4° | 60.0° |
| H26 | C29 | H27 | H28 | 120.0° | 120.0° |
| H29 | C30 | H30 | H31 | 120.0° | 120.0° |
