1ZN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C2 | sing | 1.43Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | C10 | sing | 1.53Å | 1.57Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C10 | C12 | sing | 1.51Å | 1.58Å | |
| C12 | C13 | doub | 1.33Å | 1.57Å | |
| C13 | C14 | sing | 1.51Å | 1.56Å | |
| C13 | C15 | sing | 1.47Å | 1.57Å | |
| C15 | C16 | doub | 1.33Å | 1.56Å | |
| C16 | CA | sing | 1.51Å | 1.56Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | C18 | sing | 1.53Å | 1.56Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C18 | C | sing | 1.51Å | 1.46Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 117.0° | 114.0° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| O1 | C1 | H29 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.4° | 109.5° |
| O1 | C2 | C3 | 111.5° | 109.5° |
| O1 | C2 | C10 | 108.7° | 109.5° |
| O1 | C2 | H4 | 110.0° | 109.5° |
| C2 | C3 | C4 | 114.5° | 109.5° |
| C3 | C2 | C10 | 113.2° | 109.5° |
| C3 | C2 | H4 | 105.1° | 109.5° |
| C2 | C3 | H5 | 107.8° | 109.5° |
| C2 | C3 | H6 | 107.9° | 109.4° |
| C3 | C4 | C5 | 121.8° | 120.0° |
| C3 | C4 | C9 | 119.9° | 120.1° |
| C4 | C3 | H5 | 107.9° | 109.5° |
| C4 | C3 | H6 | 107.8° | 109.4° |
| C4 | C5 | C6 | 120.7° | 120.0° |
| C5 | C4 | C9 | 118.3° | 119.9° |
| C4 | C5 | H7 | 119.6° | 120.0° |
| C5 | C6 | C7 | 120.2° | 120.0° |
| C6 | C5 | H7 | 119.6° | 119.9° |
| C5 | C6 | H8 | 119.9° | 120.0° |
| C6 | C7 | C8 | 119.8° | 120.0° |
| C7 | C6 | H8 | 119.9° | 120.0° |
| C6 | C7 | H9 | 120.1° | 120.0° |
| C7 | C8 | C9 | 119.9° | 120.0° |
| C8 | C7 | H9 | 120.1° | 120.0° |
| C7 | C8 | H10 | 120.0° | 120.0° |
| C8 | C9 | C4 | 121.0° | 120.1° |
| C9 | C8 | H10 | 120.0° | 120.0° |
| C8 | C9 | H11 | 119.5° | 119.9° |
| C4 | C9 | H11 | 119.5° | 120.0° |
| C2 | C10 | C11 | 112.3° | 109.5° |
| C2 | C10 | C12 | 112.6° | 109.5° |
| C10 | C2 | H4 | 108.2° | 109.5° |
| C2 | C10 | H12 | 105.8° | 109.5° |
| C11 | C10 | C12 | 111.2° | 109.5° |
| C11 | C10 | H12 | 107.4° | 109.4° |
| C10 | C11 | H13 | 109.5° | 109.4° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C10 | C11 | H15 | 109.5° | 109.4° |
| C10 | C12 | C13 | 116.4° | 120.0° |
| C12 | C10 | H12 | 107.1° | 109.5° |
| C10 | C12 | H16 | 121.8° | 120.0° |
| C12 | C13 | C14 | 113.1° | 120.0° |
| C12 | C13 | C15 | 111.9° | 120.0° |
| C13 | C12 | H16 | 121.8° | 120.0° |
| C14 | C13 | C15 | 109.7° | 120.0° |
| C13 | C14 | H17 | 109.5° | 109.5° |
| C13 | C14 | H18 | 109.4° | 109.5° |
| C13 | C14 | H19 | 109.5° | 109.5° |
| C13 | C15 | C16 | 114.8° | 120.0° |
| C13 | C15 | H20 | 122.6° | 119.9° |
| C15 | C16 | CA | 113.4° | 120.0° |
| C16 | C15 | H20 | 122.6° | 120.0° |
| C15 | C16 | H21 | 123.3° | 120.0° |
| C16 | CA | N | 109.9° | 109.5° |
| C16 | CA | C18 | 113.0° | 109.5° |
| CA | C16 | H21 | 123.3° | 120.0° |
| C16 | CA | HA | 107.3° | 109.5° |
| N | CA | C18 | 111.1° | 109.5° |
| N | CA | HA | 109.3° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | C18 | C19 | 112.4° | 109.5° |
| CA | C18 | C | 112.7° | 109.4° |
| C18 | CA | HA | 106.0° | 109.5° |
| CA | C18 | H25 | 105.5° | 109.5° |
| C19 | C18 | C | 110.5° | 109.5° |
| C19 | C18 | H25 | 107.9° | 109.5° |
| C18 | C19 | H26 | 109.5° | 109.5° |
| C18 | C19 | H27 | 109.4° | 109.4° |
| C18 | C19 | H28 | 109.5° | 109.4° |
| C18 | C | OXT | 121.6° | 119.9° |
| C18 | C | O | 120.4° | 120.0° |
| C | C18 | H25 | 107.5° | 109.5° |
| OXT | C | O | 118.0° | 120.1° |
| C | OXT | HXT | 109.5° | 116.9° |
| H1 | C1 | H29 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H29 | C1 | H3 | 109.5° | 109.5° |
| H5 | C3 | H6 | 111.0° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H13 | C11 | H15 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.4° |
| H17 | C14 | H19 | 109.4° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.4° |
| H | N | H2 | 109.4° | 111.1° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| H26 | C19 | H28 | 109.4° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 85.3° | 129.5° |
| C1 | O1 | C2 | C10 | 149.2° | 110.5° |
| O1 | C1 | H1 | H29 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H29 | H3 | 120.0° | 120.0° |
| C1 | O1 | C2 | H4 | 30.9° | 9.5° |
| O1 | C2 | C3 | C10 | 122.9° | 120.0° |
| O1 | C2 | C3 | H4 | 119.2° | 120.0° |
| O1 | C2 | C3 | C4 | 90.5° | 65.0° |
| O1 | C2 | C10 | H4 | 119.4° | 120.0° |
| O1 | C2 | C10 | C11 | 58.0° | 55.1° |
| O1 | C2 | C10 | C12 | 68.4° | 64.9° |
| C2 | O1 | C1 | H1 | 180.0° | 174.6° |
| C2 | O1 | C1 | H29 | 60.0° | 65.4° |
| C2 | O1 | C1 | H3 | 60.0° | 54.6° |
| O1 | C2 | C3 | H5 | 29.5° | 55.0° |
| O1 | C2 | C3 | H6 | 149.5° | 175.1° |
| O1 | C2 | C10 | H12 | 174.9° | 175.1° |
| C2 | C3 | C4 | H5 | 120.0° | 120.1° |
| C2 | C3 | C4 | H6 | 120.0° | 119.9° |
| C2 | C3 | C4 | C5 | 114.8° | 90.0° |
| C2 | C3 | C4 | C9 | 65.7° | 90.3° |
| C3 | C2 | C10 | H4 | 116.1° | 120.0° |
| C3 | C2 | C10 | C11 | 66.5° | 64.9° |
| C3 | C2 | C10 | C12 | 167.1° | 175.1° |
| C2 | C3 | H5 | H6 | 117.9° | 120.0° |
| C3 | C2 | C10 | H12 | 50.4° | 55.1° |
| C3 | C4 | C5 | C9 | 179.6° | 179.7° |
| C3 | C4 | C5 | C6 | 178.9° | 180.0° |
| C3 | C4 | C9 | C8 | 178.3° | 179.8° |
| C4 | C3 | C2 | C10 | 146.5° | 175.0° |
| C4 | C3 | C2 | H4 | 28.7° | 55.0° |
| C4 | C3 | H5 | H6 | 118.0° | 120.0° |
| C3 | C4 | C5 | H7 | 1.1° | 0.0° |
| C3 | C4 | C9 | H11 | 1.7° | 0.1° |
| C4 | C5 | C6 | H7 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C5 | C4 | C9 | C8 | 2.1° | 0.5° |
| C5 | C4 | C3 | H5 | 5.2° | 30.0° |
| C5 | C4 | C3 | H6 | 125.2° | 150.1° |
| C4 | C5 | C6 | H8 | 179.7° | 179.9° |
| C5 | C4 | C9 | H11 | 177.9° | 179.8° |
| C5 | C6 | C7 | H8 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.4° | 0.1° |
| C6 | C5 | C4 | C9 | 1.6° | 0.3° |
| C5 | C6 | C7 | H9 | 179.7° | 179.9° |
| C6 | C7 | C8 | H9 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.2° |
| C7 | C6 | C5 | H7 | 179.6° | 180.0° |
| C6 | C7 | C8 | H10 | 179.8° | 180.0° |
| C7 | C8 | C9 | H10 | 180.0° | 179.8° |
| C7 | C8 | C9 | C4 | 1.5° | 0.5° |
| C8 | C7 | C6 | H8 | 179.6° | 179.9° |
| C7 | C8 | C9 | H11 | 178.5° | 179.8° |
| C8 | C9 | C4 | H11 | 180.0° | 179.7° |
| C9 | C8 | C7 | H9 | 179.8° | 179.8° |
| C9 | C4 | C3 | H5 | 174.3° | 149.7° |
| C9 | C4 | C3 | H6 | 54.4° | 29.6° |
| C9 | C4 | C5 | H7 | 178.4° | 179.7° |
| C4 | C9 | C8 | H10 | 178.5° | 179.7° |
| C2 | C10 | C11 | C12 | 127.2° | 120.0° |
| C2 | C10 | C11 | H12 | 115.9° | 120.0° |
| C2 | C10 | C12 | H12 | 115.9° | 120.0° |
| C2 | C10 | C12 | C13 | 95.7° | 124.2° |
| C10 | C2 | C3 | H5 | 93.4° | 65.0° |
| C10 | C2 | C3 | H6 | 26.5° | 55.1° |
| C2 | C10 | C11 | H13 | 180.0° | 60.0° |
| C2 | C10 | C11 | H14 | 60.0° | 180.0° |
| C2 | C10 | C11 | H15 | 60.0° | 60.0° |
| C2 | C10 | C12 | H16 | 84.3° | 55.7° |
| C11 | C10 | C12 | H12 | 117.1° | 120.0° |
| C11 | C10 | C12 | C13 | 137.3° | 115.8° |
| C11 | C10 | C2 | H4 | 177.4° | 175.1° |
| C10 | C11 | H13 | H14 | 120.0° | 120.0° |
| C10 | C11 | H13 | H15 | 120.0° | 119.9° |
| C10 | C11 | H14 | H15 | 120.0° | 120.0° |
| C11 | C10 | C12 | H16 | 42.7° | 64.3° |
| C10 | C12 | C13 | H16 | 180.0° | 180.0° |
| C10 | C12 | C13 | C14 | 60.3° | 6.7° |
| C10 | C12 | C13 | C15 | 175.1° | 173.2° |
| C12 | C10 | C2 | H4 | 51.0° | 55.1° |
| C12 | C10 | C11 | H13 | 52.8° | 60.0° |
| C12 | C10 | C11 | H14 | 172.8° | 60.0° |
| C12 | C10 | C11 | H15 | 67.2° | 180.0° |
| C12 | C13 | C14 | C15 | 125.8° | 180.0° |
| C12 | C13 | C15 | C16 | 76.0° | 180.0° |
| C13 | C12 | C10 | H12 | 20.2° | 4.2° |
| C12 | C13 | C14 | H17 | 180.0° | 85.9° |
| C12 | C13 | C14 | H18 | 60.0° | 154.2° |
| C12 | C13 | C14 | H19 | 60.0° | 34.2° |
| C12 | C13 | C15 | H20 | 104.0° | 0.0° |
| C14 | C13 | C15 | C16 | 157.5° | 0.0° |
| C14 | C13 | C12 | H16 | 119.7° | 173.2° |
| C13 | C14 | H17 | H18 | 120.0° | 120.0° |
| C13 | C14 | H17 | H19 | 120.0° | 120.1° |
| C13 | C14 | H18 | H19 | 120.0° | 120.0° |
| C14 | C13 | C15 | H20 | 22.5° | 180.0° |
| C13 | C15 | C16 | H20 | 180.0° | 180.0° |
| C13 | C15 | C16 | CA | 173.5° | 180.0° |
| C15 | C13 | C12 | H16 | 4.9° | 6.8° |
| C15 | C13 | C14 | H17 | 54.2° | 94.1° |
| C15 | C13 | C14 | H18 | 65.8° | 25.8° |
| C15 | C13 | C14 | H19 | 174.2° | 145.8° |
| C13 | C15 | C16 | H21 | 6.5° | 0.0° |
| C15 | C16 | CA | H21 | 180.0° | 180.0° |
| C15 | C16 | CA | N | 64.6° | 115.0° |
| C15 | C16 | CA | C18 | 170.7° | 125.0° |
| C15 | C16 | CA | HA | 54.2° | 5.0° |
| C16 | CA | N | C18 | 125.8° | 120.0° |
| C16 | CA | N | HA | 117.5° | 120.0° |
| C16 | CA | C18 | HA | 117.2° | 120.0° |
| C16 | CA | C18 | C19 | 169.1° | 60.0° |
| C16 | CA | C18 | C | 65.2° | 180.0° |
| CA | C16 | C15 | H20 | 6.5° | 0.0° |
| C16 | CA | N | H | 180.0° | 176.0° |
| C16 | CA | N | H2 | 60.0° | 60.0° |
| C16 | CA | C18 | H25 | 51.8° | 60.0° |
| N | CA | C18 | HA | 118.7° | 120.0° |
| N | CA | C18 | C19 | 66.8° | 180.0° |
| N | CA | C18 | C | 58.9° | 60.0° |
| N | CA | C16 | H21 | 115.5° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C18 | H25 | 175.9° | 60.0° |
| CA | C18 | C19 | C | 126.8° | 119.9° |
| CA | C18 | C19 | H25 | 115.9° | 120.0° |
| CA | C18 | C | H25 | 115.8° | 120.0° |
| CA | C18 | C | OXT | 53.9° | 180.0° |
| CA | C18 | C | O | 127.1° | 0.1° |
| C18 | CA | C16 | H21 | 9.3° | 55.0° |
| C18 | CA | N | H | 54.1° | 64.0° |
| C18 | CA | N | H2 | 65.8° | 60.0° |
| CA | C18 | C19 | H26 | 180.0° | 60.0° |
| CA | C18 | C19 | H27 | 60.0° | 60.0° |
| CA | C18 | C19 | H28 | 60.0° | 180.0° |
| C19 | C18 | C | H25 | 117.5° | 120.0° |
| C19 | C18 | C | OXT | 72.7° | 60.0° |
| C19 | C18 | C | O | 106.2° | 120.0° |
| C19 | C18 | CA | HA | 51.9° | 60.0° |
| C18 | C19 | H26 | H27 | 120.0° | 120.0° |
| C18 | C19 | H26 | H28 | 120.0° | 120.0° |
| C18 | C19 | H27 | H28 | 120.0° | 120.0° |
| C18 | C | OXT | O | 179.0° | 179.9° |
| C | C18 | CA | HA | 177.5° | 60.0° |
| C | C18 | C19 | H26 | 53.2° | 60.0° |
| C | C18 | C19 | H27 | 66.8° | 180.0° |
| C | C18 | C19 | H28 | 173.1° | 60.0° |
| C18 | C | OXT | HXT | 179.0° | 179.9° |
| OXT | C | C18 | H25 | 169.7° | 60.0° |
| O | C | C18 | H25 | 11.3° | 119.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| H1 | C1 | H29 | H3 | 120.0° | 120.0° |
| H4 | C2 | C3 | H5 | 148.7° | 175.0° |
| H4 | C2 | C3 | H6 | 91.3° | 64.9° |
| H4 | C2 | C10 | H12 | 65.7° | 64.9° |
| H7 | C5 | C6 | H8 | 0.4° | 0.1° |
| H8 | C6 | C7 | H9 | 0.4° | 0.0° |
| H9 | C7 | C8 | H10 | 0.3° | 0.0° |
| H10 | C8 | C9 | H11 | 1.5° | 0.0° |
| H12 | C10 | C11 | H13 | 64.1° | 180.0° |
| H12 | C10 | C11 | H14 | 55.9° | 60.0° |
| H12 | C10 | C11 | H15 | 175.9° | 60.1° |
| H12 | C10 | C12 | H16 | 159.8° | 175.8° |
| H13 | C11 | H14 | H15 | 120.0° | 120.0° |
| H17 | C14 | H18 | H19 | 120.0° | 120.0° |
| H20 | C15 | C16 | H21 | 173.5° | 180.0° |
| H21 | C16 | CA | HA | 125.7° | 175.0° |
| HA | CA | N | H | 62.5° | 56.0° |
| HA | CA | N | H2 | 177.5° | 180.0° |
| HA | CA | C18 | H25 | 65.4° | 180.0° |
| H25 | C18 | C19 | H26 | 64.2° | 180.0° |
| H25 | C18 | C19 | H27 | 175.9° | 60.0° |
| H25 | C18 | C19 | H28 | 55.8° | 60.0° |
| H26 | C19 | H27 | H28 | 120.0° | 120.1° |
