ZFB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.27Å | |
| N1 | C9 | sing | 1.47Å | 1.38Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C1 | O1 | doub | 1.21Å | 1.19Å | |
| C1 | O2 | sing | 1.35Å | 1.55Å | |
| O2 | C2 | sing | 1.45Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.36Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.43Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.51Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.50Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.45Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.51Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.51Å | 1.36Å | |
| C9 | C12 | sing | 1.53Å | 1.25Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.19Å | |
| C10 | C11 | sing | 1.51Å | 1.32Å | |
| C11 | N2 | sing | 1.43Å | 42.49Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| N2 | N3 | trip | 1.03Å | 0.00Å | |
| C12 | C13 | sing | 1.51Å | 1.47Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.46Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.43Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.38Å | 1.43Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C9 | 124.9° | 120.0° |
| C1 | N1 | HN1 | 117.6° | 119.9° |
| N1 | C1 | O1 | 122.0° | 120.0° |
| N1 | C1 | O2 | 117.8° | 120.0° |
| C9 | N1 | HN1 | 117.5° | 120.1° |
| N1 | C9 | C10 | 117.4° | 109.4° |
| N1 | C9 | C12 | 100.3° | 109.4° |
| N1 | C9 | H9 | 116.7° | 109.5° |
| O1 | C1 | O2 | 120.0° | 120.0° |
| C1 | O2 | C2 | 133.1° | 117.0° |
| O2 | C2 | C3 | 128.3° | 109.5° |
| O2 | C2 | H21 | 103.6° | 109.4° |
| O2 | C2 | H22 | 99.2° | 109.4° |
| C3 | C2 | H21 | 103.6° | 109.5° |
| C3 | C2 | H22 | 99.2° | 109.5° |
| C2 | C3 | C4 | 122.4° | 120.0° |
| C2 | C3 | C8 | 119.2° | 120.0° |
| H21 | C2 | H22 | 125.8° | 109.5° |
| C4 | C3 | C8 | 118.4° | 120.0° |
| C3 | C4 | C5 | 121.0° | 120.0° |
| C3 | C4 | H4 | 119.5° | 120.0° |
| C3 | C8 | C7 | 124.5° | 120.0° |
| C3 | C8 | H8 | 117.8° | 120.0° |
| C5 | C4 | H4 | 119.5° | 120.0° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C6 | C5 | H5 | 119.9° | 119.9° |
| C5 | C6 | C7 | 117.0° | 120.0° |
| C5 | C6 | H6 | 121.5° | 120.0° |
| C7 | C6 | H6 | 121.5° | 120.0° |
| C6 | C7 | C8 | 119.0° | 120.0° |
| C6 | C7 | H7 | 120.5° | 120.0° |
| C8 | C7 | H7 | 120.5° | 120.0° |
| C7 | C8 | H8 | 117.8° | 120.0° |
| C10 | C9 | C12 | 122.6° | 109.5° |
| C10 | C9 | H9 | 90.0° | 109.5° |
| C9 | C10 | O3 | 113.9° | 120.0° |
| C9 | C10 | C11 | 128.5° | 120.0° |
| C12 | C9 | H9 | 110.7° | 109.5° |
| C9 | C12 | C13 | 133.2° | 109.5° |
| C9 | C12 | H121 | 102.2° | 109.5° |
| C9 | C12 | H122 | 96.7° | 109.5° |
| O3 | C10 | C11 | 117.5° | 120.0° |
| C10 | C11 | N2 | 46.4° | 109.5° |
| C10 | C11 | H111 | 139.4° | 109.5° |
| C10 | C11 | H112 | 143.5° | 109.4° |
| N2 | C11 | H111 | 139.4° | 109.5° |
| N2 | C11 | H112 | 143.4° | 109.5° |
| C11 | N2 | N3 | 90.0° | 179.9° |
| H111 | C11 | H112 | 63.4° | 109.5° |
| C13 | C12 | H121 | 102.2° | 109.4° |
| C13 | C12 | H122 | 96.7° | 109.5° |
| C12 | C13 | C14 | 122.7° | 120.0° |
| C12 | C13 | C18 | 121.6° | 120.0° |
| H121 | C12 | H122 | 130.6° | 109.5° |
| C14 | C13 | C18 | 115.7° | 120.0° |
| C13 | C14 | C15 | 123.3° | 120.0° |
| C13 | C14 | H14 | 118.4° | 120.0° |
| C13 | C18 | C17 | 122.0° | 120.0° |
| C13 | C18 | H18 | 119.0° | 120.0° |
| C15 | C14 | H14 | 118.3° | 120.0° |
| C14 | C15 | C16 | 119.0° | 120.0° |
| C14 | C15 | H15 | 120.5° | 120.0° |
| C16 | C15 | H15 | 120.5° | 120.0° |
| C15 | C16 | C17 | 121.1° | 120.0° |
| C15 | C16 | H16 | 119.4° | 120.0° |
| C17 | C16 | H16 | 119.4° | 120.0° |
| C16 | C17 | C18 | 118.8° | 120.0° |
| C16 | C17 | H17 | 120.6° | 120.0° |
| C18 | C17 | H17 | 120.6° | 120.0° |
| C17 | C18 | H18 | 119.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C9 | HN1 | 180.0° | 179.7° |
| N1 | C1 | O1 | O2 | 174.9° | 180.0° |
| N1 | C1 | O2 | C2 | 60.9° | 180.0° |
| C1 | N1 | C9 | C10 | 22.3° | 85.0° |
| C1 | N1 | C9 | C12 | 113.0° | 155.0° |
| C1 | N1 | C9 | H9 | 127.5° | 35.0° |
| C9 | N1 | C1 | O1 | 107.2° | 0.0° |
| C9 | N1 | C1 | O2 | 77.8° | 180.0° |
| N1 | C9 | C10 | C12 | 124.8° | 120.0° |
| N1 | C9 | C10 | H9 | 120.5° | 120.0° |
| N1 | C9 | C12 | H9 | 123.8° | 120.0° |
| N1 | C9 | C10 | O3 | 157.0° | 20.0° |
| N1 | C9 | C10 | C11 | 25.6° | 160.0° |
| N1 | C9 | C12 | C13 | 143.1° | 65.0° |
| N1 | C9 | C12 | H121 | 23.1° | 175.0° |
| N1 | C9 | C12 | H122 | 111.1° | 55.0° |
| HN1 | N1 | C1 | O1 | 72.9° | 179.7° |
| HN1 | N1 | C1 | O2 | 102.2° | 0.3° |
| HN1 | N1 | C9 | C10 | 157.7° | 94.8° |
| HN1 | N1 | C9 | C12 | 67.0° | 25.2° |
| HN1 | N1 | C9 | H9 | 52.6° | 145.3° |
| O1 | C1 | O2 | C2 | 123.9° | 0.1° |
| C1 | O2 | C2 | C3 | 178.8° | 180.0° |
| C1 | O2 | C2 | H21 | 58.8° | 59.9° |
| C1 | O2 | C2 | H22 | 71.7° | 60.0° |
| O2 | C2 | C3 | H21 | 120.0° | 120.0° |
| O2 | C2 | C3 | H22 | 109.5° | 119.9° |
| O2 | C2 | H21 | H22 | 112.2° | 119.9° |
| O2 | C2 | C3 | C4 | 2.1° | 90.0° |
| O2 | C2 | C3 | C8 | 179.5° | 90.2° |
| C3 | C2 | H21 | H22 | 112.2° | 120.1° |
| C2 | C3 | C4 | C8 | 178.4° | 179.7° |
| C2 | C3 | C4 | C5 | 178.7° | 180.0° |
| C2 | C3 | C4 | H4 | 1.3° | 0.0° |
| C2 | C3 | C8 | C7 | 178.3° | 179.8° |
| C2 | C3 | C8 | H8 | 1.7° | 0.0° |
| H21 | C2 | C3 | C4 | 122.0° | 30.0° |
| H21 | C2 | C3 | C8 | 59.6° | 149.7° |
| H22 | C2 | C3 | C4 | 107.5° | 150.0° |
| H22 | C2 | C3 | C8 | 70.9° | 29.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 179.9° |
| C4 | C3 | C8 | C7 | 0.2° | 0.4° |
| C4 | C3 | C8 | H8 | 179.8° | 179.7° |
| C8 | C3 | C4 | C5 | 0.3° | 0.2° |
| C8 | C3 | C4 | H4 | 179.7° | 179.8° |
| C3 | C8 | C7 | C6 | 1.2° | 0.4° |
| C3 | C8 | C7 | H8 | 180.0° | 179.8° |
| C3 | C8 | C7 | H7 | 178.8° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 1.1° | 0.1° |
| C4 | C5 | C6 | H6 | 178.9° | 180.0° |
| H4 | C4 | C5 | C6 | 179.8° | 180.0° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.6° | 0.1° |
| C5 | C6 | C7 | H7 | 178.4° | 180.0° |
| H5 | C5 | C6 | C7 | 178.9° | 180.0° |
| H5 | C5 | C6 | H6 | 1.1° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | H8 | 178.8° | 179.8° |
| H6 | C6 | C7 | C8 | 178.4° | 179.8° |
| H6 | C6 | C7 | H7 | 1.6° | 0.1° |
| H7 | C7 | C8 | H8 | 1.2° | 0.1° |
| C10 | C9 | C12 | H9 | 104.0° | 120.0° |
| C9 | C10 | O3 | C11 | 177.7° | 179.9° |
| C9 | C10 | C11 | N2 | 34.3° | 180.0° |
| C9 | C10 | C11 | H111 | 154.3° | 60.0° |
| C9 | C10 | C11 | H112 | 91.0° | 60.1° |
| C10 | C9 | C12 | C13 | 10.9° | 175.0° |
| C10 | C9 | C12 | H121 | 109.1° | 55.0° |
| C10 | C9 | C12 | H122 | 116.7° | 65.0° |
| C12 | C9 | C10 | O3 | 32.3° | 99.9° |
| C12 | C9 | C10 | C11 | 150.4° | 80.0° |
| C9 | C12 | C13 | H121 | 120.0° | 120.0° |
| C9 | C12 | C13 | H122 | 105.8° | 120.1° |
| C9 | C12 | H121 | H122 | 110.1° | 120.1° |
| C9 | C12 | C13 | C14 | 43.6° | 90.0° |
| C9 | C12 | C13 | C18 | 135.5° | 90.3° |
| H9 | C9 | C10 | O3 | 82.5° | 140.0° |
| H9 | C9 | C10 | C11 | 94.9° | 40.1° |
| H9 | C9 | C12 | C13 | 93.1° | 55.0° |
| H9 | C9 | C12 | H121 | 146.9° | 65.0° |
| H9 | C9 | C12 | H122 | 12.8° | 175.0° |
| O3 | C10 | C11 | N2 | 148.5° | 0.0° |
| O3 | C10 | C11 | H111 | 28.5° | 120.0° |
| O3 | C10 | C11 | H112 | 86.3° | 120.0° |
| C10 | C11 | N2 | H111 | 120.0° | 120.0° |
| C10 | C11 | N2 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 142.8° | 120.0° |
| C10 | C11 | N2 | N3 | 90.0° | 34.4° |
| N2 | C11 | H111 | H112 | 142.8° | 120.0° |
| H111 | C11 | N2 | N3 | 90.0° | 85.6° |
| H112 | C11 | N2 | N3 | 90.0° | 154.3° |
| C13 | C12 | H121 | H122 | 110.1° | 120.0° |
| C12 | C13 | C14 | C18 | 179.1° | 179.7° |
| C12 | C13 | C14 | C15 | 178.4° | 180.0° |
| C12 | C13 | C14 | H14 | 1.5° | 0.0° |
| C12 | C13 | C18 | C17 | 178.8° | 179.8° |
| C12 | C13 | C18 | H18 | 1.2° | 0.0° |
| H121 | C12 | C13 | C14 | 76.4° | 30.0° |
| H121 | C12 | C13 | C18 | 104.5° | 149.7° |
| H122 | C12 | C13 | C14 | 149.5° | 150.0° |
| H122 | C12 | C13 | C18 | 29.6° | 29.7° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.0° |
| C13 | C14 | C15 | H15 | 179.6° | 180.0° |
| C14 | C13 | C18 | C17 | 0.3° | 0.5° |
| C14 | C13 | C18 | H18 | 179.7° | 179.7° |
| C18 | C13 | C14 | C15 | 0.7° | 0.3° |
| C18 | C13 | C14 | H14 | 179.3° | 179.8° |
| C13 | C18 | C17 | C16 | 0.2° | 0.5° |
| C13 | C18 | C17 | H18 | 180.0° | 179.8° |
| C13 | C18 | C17 | H17 | 179.8° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C14 | C15 | C16 | H16 | 179.8° | 179.9° |
| H14 | C14 | C15 | C16 | 179.6° | 180.0° |
| H14 | C14 | C15 | H15 | 0.4° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.5° | 0.2° |
| C15 | C16 | C17 | H17 | 179.5° | 180.0° |
| H15 | C15 | C16 | C17 | 179.8° | 180.0° |
| H15 | C15 | C16 | H16 | 0.2° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 179.8° |
| C16 | C17 | C18 | H18 | 179.7° | 179.7° |
| H16 | C16 | C17 | C18 | 179.5° | 179.8° |
| H16 | C16 | C17 | H17 | 0.5° | 0.0° |
| H17 | C17 | C18 | H18 | 0.2° | 0.1° |
