FZB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | doub | 1.36Å | 1.36Å | |
| C12 | C11 | sing | 1.46Å | 1.44Å | |
| C10 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.37Å | 1.38Å | Aromatic |
| C13 | C15 | sing | 1.41Å | 1.45Å | |
| C11 | C16 | sing | 1.41Å | 1.40Å | Aromatic |
| C9 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | O | doub | 1.22Å | 1.23Å | |
| C15 | N3 | sing | 1.35Å | 1.35Å | |
| C16 | N3 | sing | 1.38Å | 1.38Å | |
| C16 | C8 | doub | 1.40Å | 1.43Å | Aromatic |
| N2 | C8 | sing | 1.32Å | 1.35Å | Aromatic |
| C8 | N1 | sing | 1.39Å | 1.35Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | C1 | sing | 1.54Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.55Å | 1.53Å | |
| C1 | N | sing | 1.49Å | 1.48Å | |
| C2 | C3 | sing | 1.56Å | 1.54Å | |
| N | C4 | sing | 1.49Å | 1.48Å | |
| N | C | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.54Å | 1.53Å | |
| C3 | C4 | sing | 1.55Å | 1.53Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 122.8° | 119.9° |
| C14 | C13 | C15 | 118.6° | 119.9° |
| C13 | C14 | H10 | 109.5° | 109.5° |
| C13 | C14 | H11 | 109.4° | 109.5° |
| C13 | C14 | H12 | 109.5° | 109.5° |
| C13 | C12 | C11 | 123.7° | 118.4° |
| C12 | C13 | C15 | 118.7° | 120.2° |
| C13 | C12 | H13 | 118.2° | 120.8° |
| C12 | C11 | C10 | 123.9° | 122.1° |
| C12 | C11 | C16 | 117.1° | 119.3° |
| C11 | C12 | H13 | 118.1° | 120.9° |
| C11 | C10 | C9 | 117.1° | 118.8° |
| C10 | C11 | C16 | 119.0° | 118.7° |
| C11 | C10 | H9 | 121.5° | 120.6° |
| C10 | C9 | N2 | 124.6° | 121.5° |
| C9 | C10 | H9 | 121.4° | 120.6° |
| C10 | C9 | H14 | 117.7° | 119.2° |
| C13 | C15 | O | 124.8° | 119.2° |
| C13 | C15 | N3 | 116.1° | 121.7° |
| C11 | C16 | N3 | 117.5° | 119.7° |
| C11 | C16 | C8 | 120.8° | 118.6° |
| C9 | N2 | C8 | 120.5° | 122.5° |
| N2 | C9 | H14 | 117.7° | 119.3° |
| O | C15 | N3 | 119.1° | 119.1° |
| C15 | N3 | C16 | 126.9° | 120.8° |
| C15 | N3 | H2 | 116.5° | 119.6° |
| N3 | C16 | C8 | 121.7° | 121.8° |
| C16 | N3 | H2 | 116.6° | 119.6° |
| C16 | C8 | N2 | 118.1° | 120.0° |
| C16 | C8 | N1 | 124.6° | 120.0° |
| N2 | C8 | N1 | 117.3° | 120.0° |
| C8 | N1 | C6 | 125.7° | 120.0° |
| C8 | N1 | H1 | 105.3° | 120.0° |
| N1 | C6 | C7 | 109.5° | 109.4° |
| N1 | C6 | C5 | 111.8° | 109.4° |
| C6 | N1 | H1 | 105.3° | 120.0° |
| N1 | C6 | H6 | 108.7° | 109.4° |
| C6 | C7 | C1 | 111.8° | 108.9° |
| C7 | C6 | C5 | 111.0° | 109.7° |
| C7 | C6 | H6 | 107.9° | 109.4° |
| C6 | C7 | H7 | 108.9° | 109.6° |
| C6 | C7 | H8 | 108.9° | 109.5° |
| C7 | C1 | C2 | 112.7° | 107.8° |
| C7 | C1 | N | 107.4° | 107.2° |
| C1 | C7 | H7 | 108.9° | 109.6° |
| C1 | C7 | H8 | 108.9° | 109.5° |
| C7 | C1 | H15 | 110.4° | 112.1° |
| C6 | C5 | C4 | 111.5° | 108.9° |
| C6 | C5 | H4 | 108.9° | 109.5° |
| C6 | C5 | H5 | 109.0° | 109.7° |
| C5 | C6 | H6 | 107.9° | 109.5° |
| C2 | C1 | N | 104.5° | 104.2° |
| C1 | C2 | C3 | 104.0° | 105.0° |
| C2 | C1 | H15 | 110.5° | 112.2° |
| C1 | C2 | H18 | 110.8° | 110.4° |
| C1 | C2 | H19 | 110.8° | 110.3° |
| C1 | N | C4 | 101.1° | 103.5° |
| C1 | N | C | 114.1° | 111.0° |
| N | C1 | H15 | 111.2° | 112.8° |
| C2 | C3 | C4 | 104.0° | 104.1° |
| C2 | C3 | H16 | 110.8° | 111.1° |
| C2 | C3 | H17 | 110.8° | 110.5° |
| C3 | C2 | H18 | 110.8° | 110.3° |
| C3 | C2 | H19 | 110.8° | 110.3° |
| C4 | N | C | 113.5° | 111.0° |
| N | C4 | C5 | 107.4° | 107.2° |
| N | C4 | C3 | 104.7° | 104.7° |
| N | C4 | H3 | 111.2° | 112.2° |
| N | C | H21 | 109.5° | 109.5° |
| N | C | H22 | 109.4° | 109.5° |
| N | C | H23 | 109.5° | 109.4° |
| C5 | C4 | C3 | 112.7° | 107.8° |
| C5 | C4 | H3 | 110.4° | 112.2° |
| C4 | C5 | H4 | 109.0° | 109.6° |
| C4 | C5 | H5 | 108.9° | 109.6° |
| C3 | C4 | H3 | 110.4° | 112.2° |
| C4 | C3 | H16 | 110.8° | 110.4° |
| C4 | C3 | H17 | 110.8° | 110.4° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.4° | 109.7° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H12 | 109.4° | 109.5° |
| H11 | C14 | H12 | 109.4° | 109.4° |
| H16 | C3 | H17 | 109.5° | 110.3° |
| H18 | C2 | H19 | 109.5° | 110.4° |
| H21 | C | H22 | 109.5° | 109.5° |
| H21 | C | H23 | 109.4° | 109.5° |
| H22 | C | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | C15 | 179.1° | 180.0° |
| C14 | C13 | C12 | C11 | 178.6° | 179.8° |
| C14 | C13 | C15 | O | 0.2° | 0.0° |
| C14 | C13 | C15 | N3 | 178.7° | 179.9° |
| C13 | C14 | H10 | H11 | 120.0° | 120.1° |
| C13 | C14 | H10 | H12 | 120.0° | 120.0° |
| C13 | C14 | H11 | H12 | 120.0° | 120.0° |
| C14 | C13 | C12 | H13 | 1.4° | 0.0° |
| C13 | C12 | C11 | H13 | 180.0° | 179.8° |
| C13 | C12 | C11 | C10 | 179.4° | 179.8° |
| C13 | C12 | C11 | C16 | 0.0° | 0.2° |
| C12 | C13 | C15 | O | 179.4° | 180.0° |
| C12 | C13 | C15 | N3 | 0.5° | 0.1° |
| C12 | C13 | C14 | H10 | 180.0° | 180.0° |
| C12 | C13 | C14 | H11 | 60.0° | 60.0° |
| C12 | C13 | C14 | H12 | 60.0° | 60.0° |
| C12 | C11 | C10 | C16 | 179.3° | 180.0° |
| C12 | C11 | C10 | C9 | 179.0° | 180.0° |
| C11 | C12 | C13 | C15 | 0.5° | 0.2° |
| C12 | C11 | C16 | N3 | 0.6° | 0.0° |
| C12 | C11 | C16 | C8 | 178.9° | 180.0° |
| C12 | C11 | C10 | H9 | 1.0° | 0.0° |
| C11 | C10 | C9 | H9 | 180.0° | 179.9° |
| C11 | C10 | C9 | N2 | 0.0° | 0.1° |
| C10 | C11 | C16 | N3 | 179.9° | 180.0° |
| C10 | C11 | C16 | C8 | 0.5° | 0.0° |
| C10 | C11 | C12 | H13 | 0.6° | 0.0° |
| C11 | C10 | C9 | H14 | 180.0° | 180.0° |
| C9 | C10 | C11 | C16 | 0.3° | 0.0° |
| C10 | C9 | N2 | H14 | 180.0° | 179.9° |
| C10 | C9 | N2 | C8 | 0.1° | 0.1° |
| C13 | C15 | O | N3 | 178.9° | 179.9° |
| C13 | C15 | N3 | C16 | 0.1° | 0.3° |
| C13 | C15 | N3 | H2 | 179.9° | 180.0° |
| C15 | C13 | C14 | H10 | 0.9° | 0.0° |
| C15 | C13 | C14 | H11 | 119.1° | 120.0° |
| C15 | C13 | C14 | H12 | 120.9° | 120.0° |
| C15 | C13 | C12 | H13 | 179.5° | 180.0° |
| C11 | C16 | N3 | C15 | 0.6° | 0.3° |
| C11 | C16 | N3 | C8 | 179.4° | 180.0° |
| C11 | C16 | C8 | N2 | 0.3° | 0.0° |
| C11 | C16 | C8 | N1 | 179.1° | 180.0° |
| C11 | C16 | N3 | H2 | 179.4° | 179.9° |
| C16 | C11 | C10 | H9 | 179.6° | 180.0° |
| C16 | C11 | C12 | H13 | 180.0° | 179.9° |
| C9 | N2 | C8 | C16 | 0.0° | 0.0° |
| C9 | N2 | C8 | N1 | 179.4° | 180.0° |
| N2 | C9 | C10 | H9 | 180.0° | 180.0° |
| O | C15 | N3 | C16 | 178.9° | 179.8° |
| O | C15 | N3 | H2 | 1.1° | 0.1° |
| C15 | N3 | C16 | H2 | 180.0° | 179.7° |
| C15 | N3 | C16 | C8 | 178.8° | 179.7° |
| N3 | C16 | C8 | N2 | 179.8° | 180.0° |
| N3 | C16 | C8 | N1 | 0.4° | 0.0° |
| C16 | C8 | N2 | N1 | 179.5° | 180.0° |
| C16 | C8 | N1 | C6 | 174.2° | 180.0° |
| C16 | C8 | N1 | H1 | 63.6° | 0.2° |
| C8 | C16 | N3 | H2 | 1.2° | 0.1° |
| N2 | C8 | N1 | C6 | 6.3° | 0.0° |
| N2 | C8 | N1 | H1 | 115.8° | 179.8° |
| C8 | N2 | C9 | H14 | 179.9° | 180.0° |
| C8 | N1 | C6 | H1 | 122.2° | 179.8° |
| C8 | N1 | C6 | C7 | 94.8° | 85.0° |
| C8 | N1 | C6 | C5 | 141.8° | 154.8° |
| C8 | N1 | C6 | H6 | 22.8° | 34.8° |
| N1 | C6 | C7 | C5 | 123.8° | 120.1° |
| N1 | C6 | C7 | H6 | 118.2° | 119.8° |
| N1 | C6 | C7 | C1 | 167.3° | 174.1° |
| N1 | C6 | C5 | H6 | 119.5° | 119.9° |
| N1 | C6 | C5 | C4 | 166.3° | 174.1° |
| N1 | C6 | C5 | H4 | 46.0° | 66.1° |
| N1 | C6 | C5 | H5 | 73.4° | 54.2° |
| N1 | C6 | C7 | H7 | 72.3° | 66.1° |
| N1 | C6 | C7 | H8 | 46.9° | 54.3° |
| C6 | C7 | C1 | H7 | 120.4° | 119.9° |
| C6 | C7 | C1 | H8 | 120.4° | 119.8° |
| C7 | C6 | C5 | H6 | 118.0° | 120.0° |
| C6 | C7 | C1 | C2 | 54.0° | 47.6° |
| C6 | C7 | C1 | N | 60.6° | 64.1° |
| C7 | C6 | C5 | C4 | 43.8° | 54.0° |
| C7 | C6 | N1 | H1 | 27.4° | 95.3° |
| C7 | C6 | C5 | H4 | 76.5° | 173.9° |
| C7 | C6 | C5 | H5 | 164.1° | 65.9° |
| C6 | C7 | H7 | H8 | 118.9° | 120.3° |
| C6 | C7 | C1 | H15 | 178.0° | 171.6° |
| C1 | C7 | C6 | C5 | 43.4° | 54.0° |
| C7 | C1 | C2 | N | 116.4° | 113.7° |
| C7 | C1 | C2 | H15 | 124.0° | 124.0° |
| C7 | C1 | N | H15 | 120.9° | 123.9° |
| C7 | C1 | C2 | C3 | 88.2° | 88.5° |
| C7 | C1 | N | C4 | 75.0° | 72.5° |
| C7 | C1 | N | C | 162.8° | 168.4° |
| C1 | C7 | C6 | H6 | 74.6° | 66.1° |
| C1 | C7 | H7 | H8 | 118.9° | 120.3° |
| C7 | C1 | C2 | H18 | 30.9° | 30.3° |
| C7 | C1 | C2 | H19 | 152.7° | 152.6° |
| C6 | C5 | C4 | N | 61.6° | 64.1° |
| C6 | C5 | C4 | H4 | 120.3° | 119.8° |
| C6 | C5 | C4 | H5 | 120.3° | 120.0° |
| C6 | C5 | C4 | C3 | 53.2° | 48.2° |
| C5 | C6 | N1 | H1 | 96.0° | 25.0° |
| C6 | C5 | C4 | H3 | 177.1° | 172.3° |
| C6 | C5 | H4 | H5 | 119.1° | 120.4° |
| C5 | C6 | C7 | H7 | 163.8° | 173.8° |
| C5 | C6 | C7 | H8 | 77.0° | 65.8° |
| C2 | C1 | N | H15 | 119.2° | 122.0° |
| C1 | C2 | C3 | H18 | 119.1° | 118.9° |
| C1 | C2 | C3 | H19 | 119.1° | 118.9° |
| C2 | C1 | N | C4 | 45.0° | 41.6° |
| C2 | C1 | N | C | 77.2° | 77.6° |
| C1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C2 | C1 | C7 | H7 | 66.4° | 72.2° |
| C2 | C1 | C7 | H8 | 174.3° | 167.4° |
| C1 | C2 | C3 | H16 | 118.2° | 118.8° |
| C1 | C2 | C3 | H17 | 120.1° | 118.5° |
| C1 | C2 | H18 | H19 | 122.6° | 122.2° |
| N | C1 | C2 | C3 | 28.2° | 25.2° |
| C1 | N | C4 | C | 122.6° | 119.1° |
| C1 | N | C4 | C5 | 75.6° | 72.5° |
| C1 | N | C4 | C3 | 44.4° | 41.8° |
| C1 | N | C4 | H3 | 163.6° | 163.9° |
| N | C1 | C7 | H7 | 179.0° | 176.1° |
| N | C1 | C7 | H8 | 59.8° | 55.7° |
| N | C1 | C2 | H18 | 147.3° | 144.0° |
| N | C1 | C2 | H19 | 90.9° | 93.7° |
| C1 | N | C | H21 | 180.0° | 60.0° |
| C1 | N | C | H22 | 60.0° | 180.0° |
| C1 | N | C | H23 | 60.0° | 60.0° |
| C2 | C3 | C4 | N | 26.7° | 25.2° |
| C2 | C3 | C4 | C5 | 89.7° | 88.7° |
| C2 | C3 | C4 | H16 | 119.1° | 119.2° |
| C2 | C3 | C4 | H17 | 119.2° | 118.6° |
| C2 | C3 | C4 | H3 | 146.4° | 147.2° |
| C3 | C2 | C1 | H15 | 147.8° | 147.5° |
| C2 | C3 | H16 | H17 | 122.5° | 122.9° |
| C3 | C2 | H18 | H19 | 122.5° | 122.2° |
| N | C4 | C5 | C3 | 114.8° | 112.3° |
| N | C4 | C5 | H3 | 121.3° | 123.6° |
| N | C4 | C3 | H3 | 119.7° | 122.0° |
| N | C4 | C5 | H4 | 58.7° | 176.1° |
| N | C4 | C5 | H5 | 178.1° | 55.9° |
| C4 | N | C1 | H15 | 164.2° | 163.5° |
| N | C4 | C3 | H16 | 145.8° | 94.0° |
| N | C4 | C3 | H17 | 92.5° | 143.8° |
| C4 | N | C | H21 | 64.9° | 174.5° |
| C4 | N | C | H22 | 55.1° | 65.5° |
| C4 | N | C | H23 | 175.1° | 54.5° |
| C | N | C4 | C5 | 161.8° | 168.3° |
| C | N | C4 | C3 | 78.2° | 77.3° |
| C | N | C4 | H3 | 41.0° | 44.7° |
| C | N | C1 | H15 | 42.0° | 44.4° |
| N | C | H21 | H22 | 120.0° | 120.0° |
| N | C | H21 | H23 | 120.0° | 120.0° |
| N | C | H22 | H23 | 120.0° | 119.9° |
| C5 | C4 | C3 | H3 | 123.9° | 124.0° |
| C4 | C5 | H4 | H5 | 119.1° | 120.2° |
| C4 | C5 | C6 | H6 | 74.2° | 66.0° |
| C5 | C4 | C3 | H16 | 29.4° | 152.0° |
| C5 | C4 | C3 | H17 | 151.1° | 29.9° |
| C3 | C4 | C5 | H4 | 173.5° | 71.6° |
| C3 | C4 | C5 | H5 | 67.1° | 168.2° |
| C4 | C3 | H16 | H17 | 122.5° | 122.2° |
| C4 | C3 | C2 | H18 | 120.0° | 118.9° |
| C4 | C3 | C2 | H19 | 118.2° | 118.9° |
| H1 | N1 | C6 | H6 | 145.0° | 144.9° |
| H3 | C4 | C5 | H4 | 62.7° | 52.5° |
| H3 | C4 | C5 | H5 | 56.8° | 67.7° |
| H3 | C4 | C3 | H16 | 94.5° | 28.0° |
| H3 | C4 | C3 | H17 | 27.2° | 94.2° |
| H4 | C5 | C6 | H6 | 165.5° | 53.8° |
| H5 | C5 | C6 | H6 | 46.1° | 174.1° |
| H6 | C6 | C7 | H7 | 45.8° | 53.7° |
| H6 | C6 | C7 | H8 | 165.0° | 174.1° |
| H7 | C7 | C1 | H15 | 57.6° | 51.8° |
| H8 | C7 | C1 | H15 | 61.6° | 68.6° |
| H9 | C10 | C9 | H14 | 0.1° | 0.1° |
| H10 | C14 | H11 | H12 | 120.0° | 120.0° |
| H15 | C1 | C2 | H18 | 93.0° | 93.6° |
| H15 | C1 | C2 | H19 | 28.7° | 28.6° |
| H16 | C3 | C2 | H18 | 0.9° | 122.3° |
| H16 | C3 | C2 | H19 | 122.7° | 0.1° |
| H17 | C3 | C2 | H18 | 120.8° | 0.4° |
| H17 | C3 | C2 | H19 | 0.9° | 122.6° |
| H21 | C | H22 | H23 | 120.0° | 120.1° |
