4ZM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C4 | doub | 1.22Å | 1.23Å | |
| C5 | N1 | sing | 1.46Å | 1.46Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C4 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N | sing | 1.35Å | 1.33Å | |
| C3 | N | sing | 1.46Å | 1.44Å | |
| C3 | C2 | sing | 1.51Å | 1.49Å | |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| O | C2 | sing | 1.34Å | 1.38Å | |
| O | C1 | sing | 1.45Å | 1.47Å | |
| C7 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C | C1 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C12 | sing | 1.48Å | 1.53Å | |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C16 | doub | 1.40Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | N2 | doub | 1.32Å | 1.37Å | Aromatic |
| C14 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C4 | N1 | 124.5° | 120.0° |
| O2 | C4 | N | 120.6° | 120.0° |
| N1 | C5 | C6 | 107.5° | 109.5° |
| C5 | N1 | C4 | 127.0° | 120.1° |
| C5 | N1 | H5 | 116.5° | 120.0° |
| N1 | C5 | H10 | 110.0° | 109.4° |
| N1 | C5 | H11 | 109.9° | 109.4° |
| C5 | C6 | C7 | 125.2° | 120.0° |
| C5 | C6 | C11 | 115.8° | 119.9° |
| C6 | C5 | H10 | 109.9° | 109.5° |
| C6 | C5 | H11 | 110.0° | 109.5° |
| N1 | C4 | N | 114.9° | 120.1° |
| C4 | N1 | H5 | 116.5° | 119.9° |
| C4 | N | C3 | 123.0° | 120.0° |
| C4 | N | H1 | 118.5° | 119.9° |
| N | C3 | C2 | 111.5° | 109.4° |
| C3 | N | H1 | 118.5° | 120.1° |
| N | C3 | H8 | 108.9° | 109.5° |
| N | C3 | H9 | 108.9° | 109.5° |
| C3 | C2 | O | 110.1° | 120.0° |
| C3 | C2 | O1 | 126.4° | 120.0° |
| C2 | C3 | H8 | 109.0° | 109.5° |
| C2 | C3 | H9 | 109.0° | 109.5° |
| C7 | C6 | C11 | 118.9° | 120.1° |
| C6 | C7 | C8 | 123.2° | 119.9° |
| C6 | C7 | H12 | 118.4° | 120.1° |
| C6 | C11 | C10 | 118.6° | 120.2° |
| C6 | C11 | H13 | 120.7° | 119.9° |
| C2 | O | C1 | 118.9° | 117.0° |
| O | C2 | O1 | 123.2° | 120.0° |
| O | C1 | C | 105.5° | 109.5° |
| O | C1 | H6 | 110.4° | 109.5° |
| O | C1 | H7 | 110.5° | 109.5° |
| C7 | C8 | C9 | 116.1° | 119.7° |
| C7 | C8 | C12 | 125.9° | 120.1° |
| C8 | C7 | H12 | 118.4° | 120.0° |
| C11 | C10 | C9 | 122.9° | 120.1° |
| C10 | C11 | H13 | 120.7° | 119.9° |
| C11 | C10 | H14 | 118.5° | 119.9° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.4° |
| C1 | C | H4 | 109.5° | 109.5° |
| C | C1 | H6 | 110.5° | 109.4° |
| C | C1 | H7 | 110.5° | 109.5° |
| C9 | C8 | C12 | 118.0° | 120.1° |
| C8 | C9 | C10 | 120.1° | 119.9° |
| C8 | C9 | H15 | 119.9° | 120.1° |
| C8 | C12 | C16 | 119.3° | 120.9° |
| C8 | C12 | C13 | 125.0° | 120.9° |
| C9 | C10 | H14 | 118.6° | 120.0° |
| C10 | C9 | H15 | 119.9° | 120.0° |
| C16 | C12 | C13 | 115.4° | 118.2° |
| C12 | C16 | C15 | 124.0° | 119.0° |
| C12 | C16 | H16 | 118.0° | 120.5° |
| C12 | C13 | C14 | 119.9° | 119.0° |
| C12 | C13 | H19 | 120.0° | 120.5° |
| C16 | C15 | N2 | 119.5° | 120.8° |
| C15 | C16 | H16 | 118.0° | 120.4° |
| C16 | C15 | H17 | 120.2° | 119.6° |
| C13 | C14 | N2 | 123.2° | 120.8° |
| C13 | C14 | H18 | 118.4° | 119.6° |
| C14 | C13 | H19 | 120.0° | 120.5° |
| C15 | N2 | C14 | 117.7° | 122.1° |
| N2 | C15 | H17 | 120.3° | 119.6° |
| N2 | C14 | H18 | 118.4° | 119.6° |
| H2 | C | H3 | 109.5° | 109.5° |
| H2 | C | H4 | 109.5° | 109.5° |
| H3 | C | H4 | 109.4° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.4° |
| H8 | C3 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C4 | N1 | C5 | 5.2° | 0.0° |
| O2 | C4 | N1 | N | 177.5° | 179.9° |
| O2 | C4 | N | C3 | 8.0° | 0.2° |
| O2 | C4 | N | H1 | 172.0° | 180.0° |
| O2 | C4 | N1 | H5 | 174.9° | 180.0° |
| N1 | C5 | C6 | H10 | 119.7° | 120.0° |
| N1 | C5 | C6 | H11 | 119.7° | 120.0° |
| C5 | N1 | C4 | H5 | 180.0° | 180.0° |
| C5 | N1 | C4 | N | 177.3° | 180.0° |
| N1 | C5 | C6 | C7 | 114.4° | 90.0° |
| N1 | C5 | C6 | C11 | 61.1° | 90.3° |
| N1 | C5 | H10 | H11 | 120.9° | 120.0° |
| C6 | C5 | N1 | C4 | 114.7° | 180.0° |
| C5 | C6 | C7 | C11 | 175.4° | 179.7° |
| C5 | C6 | C7 | C8 | 177.1° | 180.0° |
| C5 | C6 | C11 | C10 | 179.5° | 180.0° |
| C6 | C5 | N1 | H5 | 65.3° | 0.0° |
| C6 | C5 | H10 | H11 | 120.9° | 120.0° |
| C5 | C6 | C7 | H12 | 2.9° | 0.1° |
| C5 | C6 | C11 | H13 | 0.5° | 0.0° |
| N1 | C4 | N | C3 | 174.3° | 179.7° |
| N1 | C4 | N | H1 | 5.7° | 0.0° |
| C4 | N1 | C5 | H10 | 125.6° | 60.0° |
| C4 | N1 | C5 | H11 | 5.0° | 60.0° |
| C4 | N | C3 | H1 | 180.0° | 179.8° |
| C4 | N | C3 | C2 | 91.6° | 179.7° |
| N | C4 | N1 | H5 | 2.7° | 0.0° |
| C4 | N | C3 | H8 | 28.7° | 59.8° |
| C4 | N | C3 | H9 | 148.1° | 60.2° |
| N | C3 | C2 | H8 | 120.3° | 120.0° |
| N | C3 | C2 | H9 | 120.3° | 120.0° |
| N | C3 | C2 | O | 175.6° | 180.0° |
| N | C3 | C2 | O1 | 10.2° | 0.0° |
| N | C3 | H8 | H9 | 119.0° | 120.0° |
| C3 | C2 | O | O1 | 174.5° | 180.0° |
| C3 | C2 | O | C1 | 177.3° | 180.0° |
| C2 | C3 | N | H1 | 88.4° | 0.0° |
| C2 | C3 | H8 | H9 | 119.1° | 120.0° |
| C6 | C7 | C8 | H12 | 180.0° | 180.0° |
| C7 | C6 | C11 | C10 | 3.7° | 0.3° |
| C6 | C7 | C8 | C9 | 1.0° | 0.0° |
| C6 | C7 | C8 | C12 | 178.8° | 179.9° |
| C7 | C6 | C5 | H10 | 5.3° | 30.0° |
| C7 | C6 | C5 | H11 | 125.9° | 150.0° |
| C7 | C6 | C11 | H13 | 176.3° | 179.7° |
| C11 | C6 | C7 | C8 | 1.7° | 0.3° |
| C6 | C11 | C10 | H13 | 180.0° | 180.0° |
| C6 | C11 | C10 | C9 | 3.0° | 0.0° |
| C11 | C6 | C5 | H10 | 179.2° | 149.7° |
| C11 | C6 | C5 | H11 | 58.6° | 29.7° |
| C11 | C6 | C7 | H12 | 178.3° | 179.7° |
| C6 | C11 | C10 | H14 | 177.0° | 180.0° |
| C2 | O | C1 | C | 174.9° | 180.0° |
| C2 | O | C1 | H6 | 55.6° | 60.0° |
| C2 | O | C1 | H7 | 65.7° | 60.0° |
| O | C2 | C3 | H8 | 55.3° | 60.0° |
| O | C2 | C3 | H9 | 64.1° | 60.0° |
| C1 | O | C2 | O1 | 8.2° | 0.0° |
| O | C1 | C | H6 | 119.3° | 120.0° |
| O | C1 | C | H7 | 119.4° | 120.1° |
| O | C1 | C | H2 | 180.0° | 60.0° |
| O | C1 | C | H3 | 60.0° | 60.0° |
| O | C1 | C | H4 | 60.0° | 180.0° |
| O | C1 | H6 | H7 | 121.8° | 120.0° |
| C7 | C8 | C9 | C12 | 179.9° | 179.9° |
| C7 | C8 | C9 | C10 | 1.8° | 0.3° |
| C7 | C8 | C12 | C16 | 36.1° | 179.9° |
| C7 | C8 | C12 | C13 | 150.1° | 0.0° |
| C7 | C8 | C9 | H15 | 178.2° | 179.9° |
| C11 | C10 | C9 | C8 | 0.2° | 0.3° |
| C11 | C10 | C9 | H14 | 180.0° | 180.0° |
| C11 | C10 | C9 | H15 | 179.8° | 180.0° |
| O1 | C2 | C3 | H8 | 130.5° | 120.0° |
| O1 | C2 | C3 | H9 | 110.1° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H4 | 120.0° | 120.0° |
| C1 | C | H3 | H4 | 119.9° | 120.0° |
| C | C1 | H6 | H7 | 121.9° | 120.0° |
| C8 | C9 | C10 | H15 | 180.0° | 179.8° |
| C9 | C8 | C12 | C16 | 143.8° | 0.0° |
| C9 | C8 | C12 | C13 | 30.0° | 179.9° |
| C9 | C8 | C7 | H12 | 179.0° | 180.0° |
| C8 | C9 | C10 | H14 | 179.8° | 179.7° |
| C12 | C8 | C9 | C10 | 178.0° | 179.8° |
| C8 | C12 | C16 | C13 | 174.4° | 180.0° |
| C8 | C12 | C16 | C15 | 178.4° | 180.0° |
| C8 | C12 | C13 | C14 | 177.4° | 180.0° |
| C12 | C8 | C7 | H12 | 1.2° | 0.1° |
| C12 | C8 | C9 | H15 | 2.0° | 0.0° |
| C8 | C12 | C16 | H16 | 1.6° | 0.1° |
| C8 | C12 | C13 | H19 | 2.6° | 0.0° |
| C9 | C10 | C11 | H13 | 177.0° | 180.0° |
| C12 | C16 | C15 | H16 | 180.0° | 179.9° |
| C16 | C12 | C13 | C14 | 3.4° | 0.0° |
| C12 | C16 | C15 | N2 | 2.9° | 0.1° |
| C12 | C16 | C15 | H17 | 177.1° | 180.0° |
| C16 | C12 | C13 | H19 | 176.6° | 180.0° |
| C13 | C12 | C16 | C15 | 4.0° | 0.0° |
| C12 | C13 | C14 | H19 | 180.0° | 180.0° |
| C12 | C13 | C14 | N2 | 1.8° | 0.0° |
| C13 | C12 | C16 | H16 | 176.0° | 180.0° |
| C12 | C13 | C14 | H18 | 178.2° | 180.0° |
| C16 | C15 | N2 | H17 | 180.0° | 180.0° |
| C16 | C15 | N2 | C14 | 0.9° | 0.0° |
| C13 | C14 | N2 | C15 | 0.5° | 0.0° |
| C13 | C14 | N2 | H18 | 180.0° | 180.0° |
| N2 | C15 | C16 | H16 | 177.1° | 180.0° |
| C15 | N2 | C14 | H18 | 179.5° | 180.0° |
| C14 | N2 | C15 | H17 | 179.0° | 180.0° |
| N2 | C14 | C13 | H19 | 178.2° | 180.0° |
| H1 | N | C3 | H8 | 151.3° | 120.0° |
| H1 | N | C3 | H9 | 32.0° | 120.0° |
| H2 | C | H3 | H4 | 120.0° | 120.0° |
| H2 | C | C1 | H6 | 60.6° | 60.0° |
| H2 | C | C1 | H7 | 60.7° | 179.9° |
| H3 | C | C1 | H6 | 179.3° | 180.0° |
| H3 | C | C1 | H7 | 59.4° | 60.0° |
| H4 | C | C1 | H6 | 59.4° | 60.0° |
| H4 | C | C1 | H7 | 179.3° | 60.0° |
| H5 | N1 | C5 | H10 | 54.4° | 120.0° |
| H5 | N1 | C5 | H11 | 175.0° | 120.0° |
| H13 | C11 | C10 | H14 | 3.0° | 0.0° |
| H14 | C10 | C9 | H15 | 0.2° | 0.1° |
| H16 | C16 | C15 | H17 | 2.9° | 0.0° |
| H18 | C14 | C13 | H19 | 1.8° | 0.1° |
