4ZP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C15 | doub | 1.22Å | 1.23Å | |
| C1 | N14 | sing | 1.46Å | 1.44Å | |
| C1 | C7 | sing | 1.51Å | 1.49Å | |
| C15 | N14 | sing | 1.35Å | 1.34Å | |
| C15 | N16 | sing | 1.35Å | 1.32Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | N10 | doub | 1.32Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.32Å | 1.36Å | Aromatic |
| N16 | C17 | sing | 1.47Å | 1.44Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| O21 | C18 | sing | 1.34Å | 1.41Å | |
| O21 | C22 | sing | 1.45Å | 1.42Å | |
| C5 | C8 | sing | 1.48Å | 1.48Å | |
| C5 | C4 | doub | 1.39Å | 1.43Å | Aromatic |
| C18 | O20 | doub | 1.21Å | 1.20Å | |
| C8 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| N14 | H11 | sing | 0.97Å | 1.00Å | |
| N16 | H12 | sing | 0.97Å | 1.00Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C15 | N14 | 124.8° | 120.0° |
| O19 | C15 | N16 | 119.4° | 120.0° |
| N14 | C1 | C7 | 106.5° | 109.5° |
| C1 | N14 | C15 | 123.4° | 120.1° |
| N14 | C1 | H1 | 110.2° | 109.4° |
| N14 | C1 | H2 | 110.2° | 109.4° |
| C1 | N14 | H11 | 118.3° | 119.9° |
| C1 | C7 | C6 | 120.7° | 119.9° |
| C1 | C7 | C2 | 121.2° | 119.9° |
| C7 | C1 | H1 | 110.2° | 109.5° |
| C7 | C1 | H2 | 110.2° | 109.5° |
| N14 | C15 | N16 | 115.8° | 120.0° |
| C15 | N14 | H11 | 118.3° | 120.0° |
| C15 | N16 | C17 | 121.7° | 120.0° |
| C15 | N16 | H12 | 119.1° | 120.0° |
| C6 | C7 | C2 | 118.1° | 120.1° |
| C7 | C6 | C5 | 120.6° | 119.8° |
| C7 | C6 | H6 | 119.7° | 120.0° |
| C7 | C2 | C3 | 121.1° | 120.2° |
| C7 | C2 | H3 | 119.4° | 119.9° |
| N10 | C9 | C8 | 120.7° | 120.6° |
| C9 | N10 | C11 | 121.9° | 121.8° |
| N10 | C9 | H7 | 119.6° | 119.7° |
| C9 | C8 | C5 | 122.3° | 120.6° |
| C9 | C8 | C13 | 119.4° | 118.9° |
| C8 | C9 | H7 | 119.6° | 119.7° |
| C6 | C5 | C8 | 118.0° | 120.1° |
| C6 | C5 | C4 | 121.2° | 119.8° |
| C5 | C6 | H6 | 119.7° | 120.1° |
| N10 | C11 | C12 | 117.3° | 121.1° |
| N10 | C11 | H8 | 121.3° | 119.4° |
| N16 | C17 | C18 | 109.7° | 109.5° |
| C17 | N16 | H12 | 119.1° | 120.0° |
| N16 | C17 | H13 | 109.4° | 109.4° |
| N16 | C17 | H14 | 109.4° | 109.5° |
| C17 | C18 | O21 | 114.6° | 120.0° |
| C17 | C18 | O20 | 121.8° | 120.0° |
| C18 | C17 | H13 | 109.4° | 109.5° |
| C18 | C17 | H14 | 109.4° | 109.5° |
| C2 | C3 | C4 | 123.1° | 120.2° |
| C3 | C2 | H3 | 119.5° | 119.9° |
| C2 | C3 | H4 | 118.4° | 120.0° |
| C18 | O21 | C22 | 123.9° | 117.1° |
| O21 | C18 | O20 | 123.2° | 119.9° |
| O21 | C22 | C23 | 106.4° | 109.5° |
| O21 | C22 | H15 | 110.2° | 109.4° |
| O21 | C22 | H16 | 110.3° | 109.4° |
| C8 | C5 | C4 | 120.7° | 120.1° |
| C5 | C8 | C13 | 118.2° | 120.5° |
| C5 | C4 | C3 | 115.7° | 119.8° |
| C5 | C4 | H5 | 122.1° | 120.1° |
| C8 | C13 | C12 | 117.9° | 118.3° |
| C8 | C13 | H10 | 121.1° | 120.9° |
| C23 | C22 | H15 | 110.2° | 109.5° |
| C23 | C22 | H16 | 110.2° | 109.5° |
| C22 | C23 | H17 | 109.5° | 109.4° |
| C22 | C23 | H18 | 109.5° | 109.5° |
| C22 | C23 | H19 | 109.5° | 109.4° |
| C11 | C12 | C13 | 122.7° | 119.3° |
| C12 | C11 | H8 | 121.3° | 119.5° |
| C11 | C12 | H9 | 118.6° | 120.4° |
| C4 | C3 | H4 | 118.5° | 119.9° |
| C3 | C4 | H5 | 122.2° | 120.1° |
| C13 | C12 | H9 | 118.6° | 120.4° |
| C12 | C13 | H10 | 121.1° | 120.8° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H15 | C22 | H16 | 109.4° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H19 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C15 | N14 | C1 | 5.8° | 0.0° |
| O19 | C15 | N14 | N16 | 177.9° | 179.9° |
| O19 | C15 | N16 | C17 | 0.2° | 0.0° |
| O19 | C15 | N14 | H11 | 174.1° | 180.0° |
| O19 | C15 | N16 | H12 | 179.8° | 180.0° |
| N14 | C1 | C7 | H1 | 119.5° | 120.0° |
| N14 | C1 | C7 | H2 | 119.5° | 120.0° |
| C1 | N14 | C15 | H11 | 180.0° | 180.0° |
| C1 | N14 | C15 | N16 | 172.1° | 180.0° |
| N14 | C1 | C7 | C6 | 117.8° | 90.0° |
| N14 | C1 | C7 | C2 | 62.4° | 90.5° |
| N14 | C1 | H1 | H2 | 121.4° | 119.9° |
| C7 | C1 | N14 | C15 | 117.6° | 180.0° |
| C1 | C7 | C6 | C2 | 179.8° | 179.5° |
| C1 | C7 | C6 | C5 | 178.4° | 180.0° |
| C1 | C7 | C2 | C3 | 179.7° | 180.0° |
| C7 | C1 | H1 | H2 | 121.4° | 120.0° |
| C1 | C7 | C2 | H3 | 0.2° | 0.2° |
| C1 | C7 | C6 | H6 | 1.6° | 0.2° |
| C7 | C1 | N14 | H11 | 62.4° | 0.0° |
| N14 | C15 | N16 | C17 | 178.2° | 180.0° |
| C15 | N14 | C1 | H1 | 122.9° | 60.0° |
| C15 | N14 | C1 | H2 | 1.9° | 60.0° |
| N14 | C15 | N16 | H12 | 1.7° | 0.0° |
| C15 | N16 | C17 | H12 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 78.5° | 180.0° |
| N16 | C15 | N14 | H11 | 7.9° | 0.0° |
| C15 | N16 | C17 | H13 | 41.5° | 60.0° |
| C15 | N16 | C17 | H14 | 161.4° | 60.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.8° |
| C6 | C7 | C2 | C3 | 0.0° | 0.6° |
| C7 | C6 | C5 | C8 | 179.3° | 179.7° |
| C7 | C6 | C5 | C4 | 1.4° | 0.3° |
| C6 | C7 | C1 | H1 | 1.7° | 150.0° |
| C6 | C7 | C1 | H2 | 122.7° | 30.0° |
| C6 | C7 | C2 | H3 | 180.0° | 179.7° |
| C2 | C7 | C6 | C5 | 1.9° | 0.5° |
| C7 | C2 | C3 | H3 | 180.0° | 179.7° |
| C7 | C2 | C3 | C4 | 2.6° | 0.3° |
| C2 | C7 | C1 | H1 | 178.0° | 29.4° |
| C2 | C7 | C1 | H2 | 57.1° | 149.5° |
| C7 | C2 | C3 | H4 | 177.4° | 179.8° |
| C2 | C7 | C6 | H6 | 178.1° | 179.7° |
| N10 | C9 | C8 | H7 | 180.0° | 179.9° |
| N10 | C9 | C8 | C5 | 178.9° | 180.0° |
| N10 | C9 | C8 | C13 | 0.2° | 0.3° |
| C9 | N10 | C11 | C12 | 1.0° | 0.3° |
| C9 | N10 | C11 | H8 | 179.0° | 180.0° |
| C9 | C8 | C5 | C6 | 53.8° | 0.3° |
| C8 | C9 | N10 | C11 | 0.3° | 0.0° |
| C9 | C8 | C5 | C13 | 179.1° | 179.6° |
| C9 | C8 | C5 | C4 | 125.6° | 179.7° |
| C9 | C8 | C13 | C12 | 0.1° | 0.3° |
| C9 | C8 | C13 | H10 | 179.9° | 179.7° |
| C6 | C5 | C8 | C4 | 179.4° | 180.0° |
| C6 | C5 | C8 | C13 | 125.3° | 180.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.0° |
| C6 | C5 | C4 | H5 | 179.0° | 180.0° |
| N10 | C11 | C12 | H8 | 180.0° | 179.7° |
| N10 | C11 | C12 | C13 | 1.3° | 0.3° |
| C11 | N10 | C9 | H7 | 179.7° | 179.9° |
| N10 | C11 | C12 | H9 | 178.7° | 179.8° |
| N16 | C17 | C18 | H13 | 120.0° | 120.0° |
| N16 | C17 | C18 | H14 | 120.0° | 120.0° |
| N16 | C17 | C18 | O21 | 165.0° | 180.0° |
| N16 | C17 | C18 | O20 | 21.7° | 0.0° |
| N16 | C17 | H13 | H14 | 119.9° | 120.0° |
| C17 | C18 | O21 | O20 | 173.3° | 180.0° |
| C17 | C18 | O21 | C22 | 175.1° | 180.0° |
| C18 | C17 | N16 | H12 | 101.4° | 0.0° |
| C18 | C17 | H13 | H14 | 119.9° | 120.0° |
| C2 | C3 | C4 | C5 | 3.0° | 0.1° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | H5 | 177.0° | 180.0° |
| C18 | O21 | C22 | C23 | 176.2° | 180.0° |
| O21 | C18 | C17 | H13 | 45.0° | 60.0° |
| O21 | C18 | C17 | H14 | 75.0° | 60.0° |
| C18 | O21 | C22 | H15 | 56.7° | 60.0° |
| C18 | O21 | C22 | H16 | 64.3° | 59.9° |
| C22 | O21 | C18 | O20 | 1.8° | 0.0° |
| O21 | C22 | C23 | H15 | 119.5° | 120.0° |
| O21 | C22 | C23 | H16 | 119.5° | 120.0° |
| O21 | C22 | H15 | H16 | 121.4° | 119.9° |
| O21 | C22 | C23 | H17 | 180.0° | 60.0° |
| O21 | C22 | C23 | H18 | 60.0° | 60.0° |
| O21 | C22 | C23 | H19 | 60.0° | 180.0° |
| C8 | C5 | C4 | C3 | 178.3° | 180.0° |
| C5 | C8 | C13 | C12 | 179.2° | 179.9° |
| C8 | C5 | C4 | H5 | 1.7° | 0.0° |
| C8 | C5 | C6 | H6 | 0.7° | 0.0° |
| C5 | C8 | C9 | H7 | 1.1° | 0.1° |
| C5 | C8 | C13 | H10 | 0.8° | 0.0° |
| C4 | C5 | C8 | C13 | 55.4° | 0.0° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | H4 | 177.0° | 180.0° |
| C4 | C5 | C6 | H6 | 178.6° | 180.0° |
| O20 | C18 | C17 | H13 | 141.7° | 120.0° |
| O20 | C18 | C17 | H14 | 98.4° | 120.0° |
| C8 | C13 | C12 | C11 | 0.9° | 0.0° |
| C8 | C13 | C12 | H10 | 180.0° | 180.0° |
| C13 | C8 | C9 | H7 | 179.8° | 179.8° |
| C8 | C13 | C12 | H9 | 179.1° | 179.9° |
| C23 | C22 | H15 | H16 | 121.4° | 120.1° |
| C22 | C23 | H17 | H18 | 120.0° | 120.0° |
| C22 | C23 | H17 | H19 | 120.0° | 120.0° |
| C22 | C23 | H18 | H19 | 120.0° | 119.9° |
| C11 | C12 | C13 | H9 | 180.0° | 179.9° |
| C11 | C12 | C13 | H10 | 179.1° | 180.0° |
| C4 | C3 | C2 | H3 | 177.4° | 179.9° |
| C13 | C12 | C11 | H8 | 178.7° | 180.0° |
| H1 | C1 | N14 | H11 | 57.1° | 120.0° |
| H2 | C1 | N14 | H11 | 178.0° | 120.0° |
| H3 | C2 | C3 | H4 | 2.6° | 0.1° |
| H4 | C3 | C4 | H5 | 3.0° | 0.1° |
| H8 | C11 | C12 | H9 | 1.3° | 0.0° |
| H9 | C12 | C13 | H10 | 0.9° | 0.1° |
| H12 | N16 | C17 | H13 | 138.6° | 120.0° |
| H12 | N16 | C17 | H14 | 18.6° | 120.0° |
| H15 | C22 | C23 | H17 | 60.5° | 180.0° |
| H15 | C22 | C23 | H18 | 179.5° | 60.0° |
| H15 | C22 | C23 | H19 | 59.5° | 60.0° |
| H16 | C22 | C23 | H17 | 60.4° | 60.0° |
| H16 | C22 | C23 | H18 | 59.5° | 180.0° |
| H16 | C22 | C23 | H19 | 179.5° | 60.0° |
| H17 | C23 | H18 | H19 | 120.0° | 120.1° |
