9ZC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.51Å | 1.49Å | |
| N25 | C15 | sing | 1.39Å | 1.43Å | |
| N25 | C26 | sing | 1.35Å | 1.43Å | |
| N14 | C15 | sing | 1.36Å | 1.33Å | Aromatic |
| N14 | N13 | sing | 1.40Å | 1.34Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | O28 | doub | 1.21Å | 1.23Å | |
| N13 | C10 | doub | 1.32Å | 1.32Å | Aromatic |
| C16 | C10 | sing | 1.42Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.51Å | |
| C10 | C04 | sing | 1.48Å | 1.50Å | |
| C22 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| O07 | C03 | sing | 1.36Å | 1.37Å | |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C09 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | O23 | sing | 1.36Å | 1.38Å | |
| C12 | C09 | sing | 1.53Å | 1.51Å | |
| C06 | C09 | sing | 1.51Å | 1.52Å | |
| C06 | C01 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | O08 | sing | 1.36Å | 1.36Å | |
| O23 | C24 | sing | 1.43Å | 1.39Å | |
| C21 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| O07 | H8 | sing | 0.97Å | 0.95Å | |
| O08 | H9 | sing | 0.97Å | 0.95Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N25 | H20 | sing | 0.97Å | 1.00Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| N14 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | N25 | 116.9° | 120.0° |
| C27 | C26 | O28 | 120.6° | 120.0° |
| C26 | C27 | H21 | 109.5° | 109.5° |
| C26 | C27 | H22 | 109.5° | 109.5° |
| C26 | C27 | H23 | 109.5° | 109.4° |
| C15 | N25 | C26 | 121.1° | 120.0° |
| N25 | C15 | N14 | 123.5° | 126.3° |
| N25 | C15 | C16 | 128.3° | 126.3° |
| C15 | N25 | H20 | 119.5° | 120.0° |
| N25 | C26 | O28 | 122.5° | 120.0° |
| C26 | N25 | H20 | 119.4° | 120.1° |
| C15 | N14 | N13 | 111.0° | 108.4° |
| N14 | C15 | C16 | 108.1° | 107.4° |
| C15 | N14 | H17 | 124.5° | 125.8° |
| N14 | N13 | C10 | 108.2° | 108.8° |
| N13 | N14 | H17 | 124.5° | 125.8° |
| C15 | C16 | C10 | 102.9° | 107.2° |
| C15 | C16 | C17 | 129.7° | 126.4° |
| N13 | C10 | C16 | 109.8° | 108.1° |
| N13 | C10 | C04 | 125.7° | 126.0° |
| C10 | C16 | C17 | 127.4° | 126.4° |
| C16 | C10 | C04 | 124.5° | 125.9° |
| C16 | C17 | C22 | 117.9° | 120.0° |
| C16 | C17 | C18 | 121.2° | 120.1° |
| C10 | C04 | C05 | 117.7° | 120.1° |
| C10 | C04 | C03 | 121.2° | 120.1° |
| C17 | C22 | C21 | 119.0° | 119.9° |
| C22 | C17 | C18 | 120.7° | 119.9° |
| C17 | C22 | H2 | 120.5° | 120.1° |
| C22 | C21 | C20 | 120.3° | 120.0° |
| C22 | C21 | H1 | 119.9° | 120.0° |
| C21 | C22 | H2 | 120.5° | 120.0° |
| C17 | C18 | C19 | 120.4° | 119.9° |
| C17 | C18 | H18 | 119.8° | 120.0° |
| C05 | C04 | C03 | 120.9° | 119.8° |
| C04 | C05 | C06 | 119.6° | 120.0° |
| C04 | C05 | H7 | 120.2° | 120.0° |
| C04 | C03 | O07 | 119.8° | 120.1° |
| C04 | C03 | C02 | 119.9° | 119.8° |
| C21 | C20 | C19 | 120.9° | 120.2° |
| C21 | C20 | O23 | 116.8° | 119.9° |
| C20 | C21 | H1 | 119.8° | 120.0° |
| O07 | C03 | C02 | 120.3° | 120.1° |
| C03 | O07 | H8 | 109.5° | 114.0° |
| C05 | C06 | C09 | 119.5° | 119.9° |
| C05 | C06 | C01 | 119.2° | 120.2° |
| C06 | C05 | H7 | 120.2° | 120.0° |
| C03 | C02 | C01 | 119.0° | 120.0° |
| C03 | C02 | H6 | 120.5° | 120.0° |
| C18 | C19 | C20 | 118.7° | 120.1° |
| C19 | C18 | H18 | 119.8° | 120.1° |
| C18 | C19 | H19 | 120.6° | 120.0° |
| C11 | C09 | C12 | 111.7° | 109.5° |
| C11 | C09 | C06 | 109.0° | 109.5° |
| C11 | C09 | H10 | 107.5° | 109.4° |
| C09 | C11 | H11 | 109.5° | 109.4° |
| C09 | C11 | H12 | 109.5° | 109.5° |
| C09 | C11 | H13 | 109.5° | 109.5° |
| C19 | C20 | O23 | 122.3° | 119.9° |
| C20 | C19 | H19 | 120.7° | 120.0° |
| C20 | O23 | C24 | 119.3° | 117.0° |
| C12 | C09 | C06 | 113.5° | 109.5° |
| C12 | C09 | H10 | 107.5° | 109.4° |
| C09 | C12 | H14 | 109.5° | 109.4° |
| C09 | C12 | H15 | 109.4° | 109.5° |
| C09 | C12 | H16 | 109.5° | 109.5° |
| C09 | C06 | C01 | 120.9° | 119.9° |
| C06 | C09 | H10 | 107.4° | 109.5° |
| C06 | C01 | C02 | 121.4° | 120.2° |
| C06 | C01 | O08 | 119.2° | 119.9° |
| C02 | C01 | O08 | 119.3° | 119.9° |
| C01 | C02 | H6 | 120.5° | 120.0° |
| C01 | O08 | H9 | 109.5° | 114.0° |
| O23 | C24 | H3 | 109.5° | 109.5° |
| O23 | C24 | H4 | 109.5° | 109.4° |
| O23 | C24 | H5 | 109.5° | 109.5° |
| H3 | C24 | H4 | 109.4° | 109.5° |
| H3 | C24 | H5 | 109.4° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H11 | C11 | H13 | 109.5° | 109.4° |
| H12 | C11 | H13 | 109.4° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H14 | C12 | H16 | 109.4° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.4° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H21 | C27 | H23 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | N25 | C15 | 176.9° | 180.0° |
| C27 | C26 | N25 | O28 | 177.1° | 180.0° |
| C27 | C26 | N25 | H20 | 3.0° | 0.0° |
| C26 | C27 | H21 | H22 | 120.0° | 120.0° |
| C26 | C27 | H21 | H23 | 120.0° | 120.0° |
| C26 | C27 | H22 | H23 | 120.0° | 120.0° |
| C15 | N25 | C26 | H20 | 180.0° | 180.0° |
| N25 | C15 | N14 | C16 | 179.3° | 179.7° |
| N25 | C15 | N14 | N13 | 179.8° | 179.9° |
| C15 | N25 | C26 | O28 | 0.2° | 0.0° |
| N25 | C15 | C16 | C10 | 179.7° | 180.0° |
| N25 | C15 | C16 | C17 | 1.3° | 0.3° |
| N25 | C15 | N14 | H17 | 0.2° | 0.3° |
| C26 | N25 | C15 | N14 | 122.4° | 0.4° |
| C26 | N25 | C15 | C16 | 56.7° | 180.0° |
| N25 | C26 | C27 | H21 | 177.2° | 180.0° |
| N25 | C26 | C27 | H22 | 62.8° | 60.0° |
| N25 | C26 | C27 | H23 | 57.2° | 60.0° |
| C15 | N14 | N13 | H17 | 180.0° | 179.8° |
| C15 | N14 | N13 | C10 | 0.4° | 0.0° |
| N14 | C15 | C16 | C10 | 1.0° | 0.4° |
| N14 | C15 | C16 | C17 | 179.4° | 180.0° |
| N14 | C15 | N25 | H20 | 57.5° | 179.6° |
| N13 | N14 | C15 | C16 | 0.9° | 0.2° |
| N14 | N13 | C10 | C16 | 0.3° | 0.2° |
| N14 | N13 | C10 | C04 | 178.5° | 180.0° |
| C15 | C16 | C10 | N13 | 0.8° | 0.4° |
| C15 | C16 | C10 | C17 | 178.4° | 179.6° |
| C15 | C16 | C10 | C04 | 179.0° | 179.9° |
| C15 | C16 | C17 | C22 | 70.9° | 113.9° |
| C15 | C16 | C17 | C18 | 113.5° | 66.4° |
| C16 | C15 | N25 | H20 | 123.3° | 0.0° |
| C16 | C15 | N14 | H17 | 179.1° | 180.0° |
| O28 | C26 | N25 | H20 | 179.9° | 180.0° |
| O28 | C26 | C27 | H21 | 0.0° | 0.0° |
| O28 | C26 | C27 | H22 | 120.0° | 120.0° |
| O28 | C26 | C27 | H23 | 120.0° | 120.0° |
| N13 | C10 | C16 | C04 | 178.2° | 179.8° |
| N13 | C10 | C16 | C17 | 179.2° | 180.0° |
| N13 | C10 | C04 | C05 | 132.1° | 132.7° |
| N13 | C10 | C04 | C03 | 51.8° | 47.4° |
| C10 | N13 | N14 | H17 | 179.7° | 179.8° |
| C10 | C16 | C17 | C22 | 107.1° | 65.7° |
| C10 | C16 | C17 | C18 | 68.5° | 114.0° |
| C16 | C10 | C04 | C05 | 50.1° | 47.1° |
| C16 | C10 | C04 | C03 | 126.1° | 132.9° |
| C17 | C16 | C10 | C04 | 2.6° | 0.2° |
| C16 | C17 | C22 | C18 | 175.6° | 179.7° |
| C16 | C17 | C22 | C21 | 178.6° | 179.8° |
| C16 | C17 | C18 | C19 | 178.4° | 179.8° |
| C16 | C17 | C22 | H2 | 1.4° | 0.3° |
| C16 | C17 | C18 | H18 | 1.6° | 0.3° |
| C10 | C04 | C05 | C03 | 176.1° | 180.0° |
| C10 | C04 | C03 | O07 | 6.8° | 0.0° |
| C10 | C04 | C05 | C06 | 175.9° | 179.7° |
| C10 | C04 | C03 | C02 | 175.4° | 180.0° |
| C10 | C04 | C05 | H7 | 4.1° | 0.1° |
| C17 | C22 | C21 | H2 | 180.0° | 180.0° |
| C17 | C22 | C21 | C20 | 1.4° | 0.0° |
| C22 | C17 | C18 | C19 | 2.9° | 0.0° |
| C17 | C22 | C21 | H1 | 178.6° | 180.0° |
| C22 | C17 | C18 | H18 | 177.1° | 180.0° |
| C21 | C22 | C17 | C18 | 3.0° | 0.0° |
| C22 | C21 | C20 | H1 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.2° | 0.0° |
| C22 | C21 | C20 | O23 | 179.0° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 1.1° | 0.0° |
| C18 | C17 | C22 | H2 | 177.0° | 180.0° |
| C17 | C18 | C19 | H19 | 178.8° | 180.0° |
| C05 | C04 | C03 | O07 | 177.2° | 180.0° |
| C04 | C05 | C06 | H7 | 180.0° | 179.7° |
| C05 | C04 | C03 | C02 | 0.6° | 0.0° |
| C04 | C05 | C06 | C09 | 173.0° | 180.0° |
| C04 | C05 | C06 | C01 | 0.3° | 0.6° |
| C04 | C03 | O07 | C02 | 177.8° | 180.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.3° |
| C04 | C03 | C02 | C01 | 1.0° | 0.1° |
| C04 | C03 | C02 | H6 | 179.0° | 180.0° |
| C03 | C04 | C05 | H7 | 179.8° | 180.0° |
| C04 | C03 | O07 | H8 | 180.0° | 85.2° |
| C21 | C20 | C19 | C18 | 0.4° | 0.0° |
| C21 | C20 | C19 | O23 | 178.7° | 180.0° |
| C21 | C20 | O23 | C24 | 179.1° | 0.0° |
| C20 | C21 | C22 | H2 | 178.5° | 180.0° |
| C21 | C20 | C19 | H19 | 179.6° | 180.0° |
| O07 | C03 | C02 | C01 | 176.7° | 179.9° |
| O07 | C03 | C02 | H6 | 3.2° | 0.0° |
| C05 | C06 | C09 | C11 | 92.1° | 60.0° |
| C05 | C06 | C09 | C12 | 33.0° | 60.0° |
| C05 | C06 | C09 | C01 | 172.5° | 179.5° |
| C05 | C06 | C01 | C02 | 0.8° | 0.6° |
| C05 | C06 | C01 | O08 | 175.9° | 179.7° |
| C05 | C06 | C09 | H10 | 151.7° | 180.0° |
| C03 | C02 | C01 | C06 | 1.1° | 0.3° |
| C03 | C02 | C01 | H6 | 180.0° | 179.9° |
| C03 | C02 | C01 | O08 | 176.3° | 180.0° |
| C02 | C03 | O07 | H8 | 2.2° | 94.8° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | O23 | 179.1° | 180.0° |
| C11 | C09 | C12 | C06 | 123.7° | 120.1° |
| C11 | C09 | C12 | H10 | 117.6° | 119.9° |
| C11 | C09 | C06 | H10 | 116.1° | 120.0° |
| C11 | C09 | C06 | C01 | 80.4° | 119.5° |
| C09 | C11 | H11 | H12 | 120.0° | 120.0° |
| C09 | C11 | H11 | H13 | 120.0° | 119.9° |
| C09 | C11 | H12 | H13 | 120.0° | 120.0° |
| C11 | C09 | C12 | H14 | 180.0° | 60.1° |
| C11 | C09 | C12 | H15 | 60.0° | 179.9° |
| C11 | C09 | C12 | H16 | 60.0° | 60.0° |
| C19 | C20 | O23 | C24 | 0.4° | 180.0° |
| C19 | C20 | C21 | H1 | 179.8° | 180.0° |
| C20 | C19 | C18 | H18 | 178.9° | 180.0° |
| O23 | C20 | C21 | H1 | 1.0° | 0.0° |
| C20 | O23 | C24 | H3 | 180.0° | 60.0° |
| C20 | O23 | C24 | H4 | 60.0° | 60.0° |
| C20 | O23 | C24 | H5 | 60.0° | 180.0° |
| O23 | C20 | C19 | H19 | 1.0° | 0.0° |
| C12 | C09 | C06 | H10 | 118.7° | 120.0° |
| C12 | C09 | C06 | C01 | 154.5° | 120.5° |
| C12 | C09 | C11 | H11 | 180.0° | 60.1° |
| C12 | C09 | C11 | H12 | 60.0° | 60.0° |
| C12 | C09 | C11 | H13 | 60.0° | 180.0° |
| C09 | C12 | H14 | H15 | 120.0° | 120.0° |
| C09 | C12 | H14 | H16 | 120.0° | 120.0° |
| C09 | C12 | H15 | H16 | 120.0° | 120.0° |
| C09 | C06 | C01 | C02 | 173.3° | 180.0° |
| C09 | C06 | C01 | O08 | 11.5° | 0.3° |
| C09 | C06 | C05 | H7 | 7.0° | 0.3° |
| C06 | C09 | C11 | H11 | 53.8° | 59.9° |
| C06 | C09 | C11 | H12 | 66.2° | 180.0° |
| C06 | C09 | C11 | H13 | 173.8° | 60.0° |
| C06 | C09 | C12 | H14 | 56.3° | 60.0° |
| C06 | C09 | C12 | H15 | 176.3° | 60.0° |
| C06 | C09 | C12 | H16 | 63.7° | 180.0° |
| C06 | C01 | C02 | O08 | 175.1° | 179.7° |
| C06 | C01 | C02 | H6 | 178.9° | 179.7° |
| C01 | C06 | C05 | H7 | 179.7° | 179.7° |
| C06 | C01 | O08 | H9 | 180.0° | 90.3° |
| C01 | C06 | C09 | H10 | 35.7° | 0.6° |
| C02 | C01 | O08 | H9 | 4.8° | 90.0° |
| O08 | C01 | C02 | H6 | 3.8° | 0.0° |
| O23 | C24 | H3 | H4 | 120.0° | 119.9° |
| O23 | C24 | H3 | H5 | 120.0° | 120.0° |
| O23 | C24 | H4 | H5 | 120.0° | 120.0° |
| H1 | C21 | C22 | H2 | 1.4° | 0.0° |
| H3 | C24 | H4 | H5 | 120.0° | 120.1° |
| H10 | C09 | C11 | H11 | 62.3° | 180.0° |
| H10 | C09 | C11 | H12 | 177.7° | 59.9° |
| H10 | C09 | C11 | H13 | 57.7° | 60.1° |
| H10 | C09 | C12 | H14 | 62.4° | 180.0° |
| H10 | C09 | C12 | H15 | 57.6° | 60.0° |
| H10 | C09 | C12 | H16 | 177.7° | 59.9° |
| H11 | C11 | H12 | H13 | 120.0° | 120.0° |
| H14 | C12 | H15 | H16 | 120.0° | 120.1° |
| H18 | C18 | C19 | H19 | 1.2° | 0.1° |
| H21 | C27 | H22 | H23 | 120.0° | 120.0° |
