FZP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.49Å | |
| N1 | N2 | sing | 1.40Å | 1.41Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.35Å | Aromatic |
| N2 | C4 | doub | 1.31Å | 1.35Å | Aromatic |
| C2 | C3 | doub | 1.35Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | N3 | sing | 1.40Å | 1.38Å | |
| O3 | C23 | doub | 1.21Å | 1.22Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| N3 | C5 | sing | 1.38Å | 1.36Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | N7 | sing | 1.35Å | 1.26Å | |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C5 | N5 | sing | 1.33Å | 1.37Å | Aromatic |
| N7 | C21 | sing | 1.40Å | 1.42Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| N4 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
| N5 | C8 | doub | 1.32Å | 1.36Å | Aromatic |
| C22 | C17 | sing | 1.39Å | 1.42Å | Aromatic |
| C17 | N6 | sing | 1.40Å | 1.43Å | |
| C6 | N6 | sing | 1.39Å | 1.42Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| N6 | C9 | sing | 1.35Å | 1.35Å | |
| C9 | O1 | doub | 1.21Å | 1.22Å | |
| C9 | O2 | sing | 1.35Å | 1.46Å | |
| O2 | C10 | sing | 1.45Å | 1.43Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C16 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | F1 | sing | 1.35Å | 1.33Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| N7 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | N2 | 113.7° | 126.0° |
| C1 | N1 | C2 | 133.3° | 126.0° |
| N1 | C1 | H9 | 109.5° | 109.5° |
| N1 | C1 | H10 | 109.5° | 109.5° |
| N1 | C1 | H11 | 109.5° | 109.4° |
| N2 | N1 | C2 | 113.0° | 108.0° |
| N1 | N2 | C4 | 101.4° | 108.2° |
| N1 | C2 | C3 | 106.7° | 107.9° |
| N1 | C2 | H16 | 126.6° | 126.1° |
| N2 | C4 | C3 | 113.8° | 108.0° |
| N2 | C4 | N3 | 123.7° | 126.0° |
| C2 | C3 | C4 | 105.1° | 107.9° |
| C2 | C3 | H7 | 127.5° | 126.1° |
| C3 | C2 | H16 | 126.7° | 126.0° |
| C3 | C4 | N3 | 122.5° | 126.0° |
| C4 | C3 | H7 | 127.5° | 126.0° |
| C4 | N3 | C5 | 134.0° | 120.0° |
| C4 | N3 | H8 | 113.0° | 120.0° |
| O3 | C23 | C24 | 117.5° | 120.0° |
| O3 | C23 | N7 | 118.5° | 120.0° |
| C25 | C24 | C23 | 110.8° | 109.5° |
| C25 | C24 | H19 | 109.1° | 109.5° |
| C25 | C24 | H20 | 109.1° | 109.5° |
| C24 | C25 | H21 | 109.5° | 109.4° |
| C24 | C25 | H22 | 109.4° | 109.5° |
| C24 | C25 | H23 | 109.5° | 109.5° |
| N3 | C5 | N4 | 117.8° | 119.2° |
| N3 | C5 | N5 | 122.7° | 119.2° |
| C5 | N3 | H8 | 113.0° | 120.0° |
| C24 | C23 | N7 | 123.9° | 120.0° |
| C23 | C24 | H19 | 109.2° | 109.5° |
| C23 | C24 | H20 | 109.1° | 109.5° |
| C23 | N7 | C21 | 129.9° | 120.0° |
| C23 | N7 | H24 | 115.1° | 120.0° |
| C19 | C20 | C21 | 120.3° | 120.1° |
| C20 | C19 | C18 | 120.8° | 120.1° |
| C20 | C19 | H15 | 119.6° | 119.9° |
| C19 | C20 | H17 | 119.9° | 120.0° |
| C20 | C21 | N7 | 124.0° | 120.1° |
| C20 | C21 | C22 | 118.2° | 119.9° |
| C21 | C20 | H17 | 119.8° | 119.9° |
| C19 | C18 | C17 | 120.1° | 120.0° |
| C19 | C18 | H14 | 119.9° | 120.0° |
| C18 | C19 | H15 | 119.6° | 119.9° |
| N4 | C5 | N5 | 119.6° | 121.6° |
| C5 | N4 | C6 | 122.3° | 120.7° |
| C5 | N5 | C8 | 120.4° | 120.9° |
| N7 | C21 | C22 | 117.7° | 120.1° |
| C21 | N7 | H24 | 115.0° | 120.0° |
| C21 | C22 | C17 | 123.1° | 119.9° |
| C21 | C22 | H18 | 118.4° | 120.0° |
| C18 | C17 | C22 | 117.4° | 119.9° |
| C18 | C17 | N6 | 123.5° | 120.0° |
| C17 | C18 | H14 | 119.9° | 120.0° |
| N4 | C6 | N6 | 115.4° | 120.5° |
| N4 | C6 | C7 | 118.8° | 119.0° |
| N5 | C8 | C7 | 120.5° | 119.3° |
| N5 | C8 | H2 | 119.8° | 120.3° |
| C22 | C17 | N6 | 119.1° | 120.0° |
| C17 | C22 | H18 | 118.4° | 120.1° |
| C17 | N6 | C6 | 119.3° | 120.0° |
| C17 | N6 | C9 | 117.0° | 120.0° |
| N6 | C6 | C7 | 125.8° | 120.5° |
| C6 | N6 | C9 | 122.9° | 120.0° |
| C6 | C7 | C8 | 118.3° | 118.5° |
| C6 | C7 | H1 | 120.8° | 120.7° |
| C8 | C7 | H1 | 120.8° | 120.8° |
| C7 | C8 | H2 | 119.7° | 120.4° |
| N6 | C9 | O1 | 121.7° | 120.0° |
| N6 | C9 | O2 | 121.1° | 120.0° |
| O1 | C9 | O2 | 117.1° | 120.0° |
| C9 | O2 | C10 | 122.7° | 117.0° |
| O2 | C10 | C11 | 110.6° | 109.5° |
| O2 | C10 | H3 | 109.2° | 109.5° |
| O2 | C10 | H4 | 109.2° | 109.4° |
| C10 | C11 | C16 | 119.7° | 120.0° |
| C10 | C11 | C12 | 119.4° | 120.0° |
| C11 | C10 | H3 | 109.2° | 109.5° |
| C11 | C10 | H4 | 109.2° | 109.5° |
| C11 | C16 | C15 | 120.6° | 120.0° |
| C16 | C11 | C12 | 121.0° | 120.1° |
| C11 | C16 | H13 | 119.7° | 120.0° |
| C16 | C15 | C14 | 117.5° | 119.9° |
| C16 | C15 | H12 | 121.3° | 120.0° |
| C15 | C16 | H13 | 119.7° | 120.0° |
| C11 | C12 | C13 | 118.9° | 120.0° |
| C11 | C12 | H5 | 120.6° | 120.0° |
| C15 | C14 | C13 | 122.8° | 119.9° |
| C15 | C14 | F1 | 117.3° | 120.0° |
| C14 | C15 | H12 | 121.2° | 120.0° |
| C12 | C13 | C14 | 119.3° | 120.0° |
| C13 | C12 | H5 | 120.5° | 120.0° |
| C12 | C13 | H6 | 120.4° | 120.0° |
| C13 | C14 | F1 | 119.9° | 120.1° |
| C14 | C13 | H6 | 120.4° | 120.0° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H11 | 109.4° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.4° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H21 | C25 | H23 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | N2 | C2 | 179.9° | 179.8° |
| C1 | N1 | N2 | C4 | 179.8° | 180.0° |
| C1 | N1 | C2 | C3 | 179.4° | 179.8° |
| N1 | C1 | H9 | H10 | 120.0° | 120.0° |
| N1 | C1 | H9 | H11 | 120.0° | 119.9° |
| N1 | C1 | H10 | H11 | 120.0° | 119.9° |
| C1 | N1 | C2 | H16 | 0.5° | 0.2° |
| N2 | N1 | C2 | C3 | 0.5° | 0.4° |
| N1 | N2 | C4 | C3 | 0.3° | 0.0° |
| N1 | N2 | C4 | N3 | 179.7° | 179.8° |
| N2 | N1 | C1 | H9 | 0.0° | 89.9° |
| N2 | N1 | C1 | H10 | 120.0° | 150.0° |
| N2 | N1 | C1 | H11 | 120.0° | 30.1° |
| N2 | N1 | C2 | H16 | 179.5° | 180.0° |
| C2 | N1 | N2 | C4 | 0.1° | 0.2° |
| N1 | C2 | C3 | H16 | 180.0° | 179.6° |
| N1 | C2 | C3 | C4 | 0.6° | 0.4° |
| N1 | C2 | C3 | H7 | 179.4° | 179.7° |
| C2 | N1 | C1 | H9 | 179.9° | 90.3° |
| C2 | N1 | C1 | H10 | 59.9° | 29.7° |
| C2 | N1 | C1 | H11 | 60.1° | 149.7° |
| N2 | C4 | C3 | C2 | 0.6° | 0.2° |
| N2 | C4 | C3 | N3 | 179.4° | 179.8° |
| N2 | C4 | N3 | C5 | 171.4° | 179.7° |
| N2 | C4 | C3 | H7 | 179.4° | 179.8° |
| N2 | C4 | N3 | H8 | 8.6° | 0.3° |
| C2 | C3 | C4 | H7 | 180.0° | 180.0° |
| C2 | C3 | C4 | N3 | 180.0° | 180.0° |
| C3 | C4 | N3 | C5 | 9.2° | 0.0° |
| C3 | C4 | N3 | H8 | 170.8° | 180.0° |
| C4 | C3 | C2 | H16 | 179.4° | 180.0° |
| C4 | N3 | C5 | H8 | 180.0° | 180.0° |
| C4 | N3 | C5 | N4 | 7.9° | 180.0° |
| C4 | N3 | C5 | N5 | 172.3° | 0.3° |
| N3 | C4 | C3 | H7 | 0.0° | 0.0° |
| O3 | C23 | C24 | C25 | 62.8° | 0.0° |
| O3 | C23 | C24 | N7 | 178.0° | 180.0° |
| O3 | C23 | N7 | C21 | 2.8° | 5.2° |
| O3 | C23 | C24 | H19 | 57.4° | 120.1° |
| O3 | C23 | C24 | H20 | 177.1° | 120.0° |
| O3 | C23 | N7 | H24 | 177.2° | 174.9° |
| C25 | C24 | C23 | H19 | 120.2° | 120.0° |
| C25 | C24 | C23 | H20 | 120.2° | 120.1° |
| C25 | C24 | C23 | N7 | 115.2° | 180.0° |
| C25 | C24 | H19 | H20 | 119.4° | 120.0° |
| C24 | C25 | H21 | H22 | 120.0° | 120.0° |
| C24 | C25 | H21 | H23 | 120.0° | 120.0° |
| C24 | C25 | H22 | H23 | 120.0° | 120.0° |
| N3 | C5 | N4 | N5 | 179.8° | 179.8° |
| N3 | C5 | N4 | C6 | 179.5° | 179.8° |
| N3 | C5 | N5 | C8 | 180.0° | 179.8° |
| C24 | C23 | N7 | C21 | 179.3° | 174.8° |
| C23 | C24 | H19 | H20 | 119.4° | 119.9° |
| C23 | C24 | C25 | H21 | 180.0° | 60.0° |
| C23 | C24 | C25 | H22 | 60.0° | 60.0° |
| C23 | C24 | C25 | H23 | 60.0° | 180.0° |
| C24 | C23 | N7 | H24 | 0.7° | 5.1° |
| C23 | N7 | C21 | C20 | 23.6° | 33.6° |
| C23 | N7 | C21 | H24 | 180.0° | 180.0° |
| C23 | N7 | C21 | C22 | 158.9° | 146.2° |
| N7 | C23 | C24 | H19 | 124.6° | 59.9° |
| N7 | C23 | C24 | H20 | 5.0° | 60.0° |
| C19 | C20 | C21 | H17 | 180.0° | 180.0° |
| C20 | C19 | C18 | H15 | 180.0° | 180.0° |
| C19 | C20 | C21 | N7 | 178.3° | 180.0° |
| C19 | C20 | C21 | C22 | 0.9° | 0.2° |
| C20 | C19 | C18 | C17 | 0.3° | 0.0° |
| C20 | C19 | C18 | H14 | 179.7° | 180.0° |
| C21 | C20 | C19 | C18 | 0.5° | 0.0° |
| C20 | C21 | N7 | C22 | 177.5° | 179.8° |
| C20 | C21 | C22 | C17 | 1.0° | 0.4° |
| C21 | C20 | C19 | H15 | 179.5° | 180.0° |
| C20 | C21 | C22 | H18 | 179.0° | 180.0° |
| C20 | C21 | N7 | H24 | 156.4° | 146.4° |
| C19 | C18 | C17 | H14 | 180.0° | 180.0° |
| C19 | C18 | C17 | C22 | 0.4° | 0.2° |
| C19 | C18 | C17 | N6 | 179.2° | 180.0° |
| C18 | C19 | C20 | H17 | 179.4° | 179.9° |
| N4 | C5 | N5 | C8 | 0.3° | 0.0° |
| C5 | N4 | C6 | N6 | 179.8° | 179.9° |
| C5 | N4 | C6 | C7 | 0.7° | 0.0° |
| N4 | C5 | N3 | H8 | 172.1° | 0.0° |
| N5 | C5 | N4 | C6 | 0.2° | 0.0° |
| C5 | N5 | C8 | C7 | 0.3° | 0.0° |
| C5 | N5 | C8 | H2 | 179.7° | 179.9° |
| N5 | C5 | N3 | H8 | 7.7° | 179.7° |
| N7 | C21 | C22 | C17 | 178.7° | 179.8° |
| N7 | C21 | C20 | H17 | 1.6° | 0.1° |
| N7 | C21 | C22 | H18 | 1.4° | 0.2° |
| C21 | C22 | C17 | C18 | 0.8° | 0.4° |
| C21 | C22 | C17 | H18 | 180.0° | 179.6° |
| C21 | C22 | C17 | N6 | 179.7° | 179.7° |
| C22 | C21 | C20 | H17 | 179.1° | 179.8° |
| C22 | C21 | N7 | H24 | 21.1° | 33.8° |
| C18 | C17 | C22 | N6 | 178.9° | 179.9° |
| C18 | C17 | N6 | C6 | 79.6° | 68.6° |
| C18 | C17 | N6 | C9 | 110.6° | 111.3° |
| C17 | C18 | C19 | H15 | 179.7° | 180.0° |
| C18 | C17 | C22 | H18 | 179.2° | 180.0° |
| N4 | C6 | N6 | C17 | 15.8° | 178.1° |
| N4 | C6 | N6 | C7 | 179.5° | 179.9° |
| N4 | C6 | C7 | C8 | 0.7° | 0.0° |
| N4 | C6 | N6 | C9 | 175.1° | 1.9° |
| N4 | C6 | C7 | H1 | 179.3° | 180.0° |
| N5 | C8 | C7 | C6 | 0.2° | 0.0° |
| N5 | C8 | C7 | H2 | 180.0° | 179.9° |
| N5 | C8 | C7 | H1 | 179.7° | 180.0° |
| C22 | C17 | N6 | C6 | 101.6° | 111.6° |
| C22 | C17 | N6 | C9 | 68.2° | 68.5° |
| C22 | C17 | C18 | H14 | 179.6° | 179.8° |
| C17 | N6 | C6 | C9 | 169.1° | 179.9° |
| C17 | N6 | C6 | C7 | 163.7° | 2.0° |
| C17 | N6 | C9 | O1 | 17.1° | 174.9° |
| C17 | N6 | C9 | O2 | 159.4° | 5.1° |
| N6 | C17 | C18 | H14 | 0.8° | 0.1° |
| N6 | C17 | C22 | H18 | 0.3° | 0.2° |
| N6 | C6 | C7 | C8 | 179.8° | 179.9° |
| C6 | N6 | C9 | O1 | 152.3° | 5.1° |
| C6 | N6 | C9 | O2 | 31.2° | 174.9° |
| N6 | C6 | C7 | H1 | 0.2° | 0.1° |
| C6 | C7 | C8 | H1 | 180.0° | 180.0° |
| C7 | C6 | N6 | C9 | 5.5° | 178.0° |
| C6 | C7 | C8 | H2 | 179.7° | 180.0° |
| N6 | C9 | O1 | O2 | 176.6° | 180.0° |
| N6 | C9 | O2 | C10 | 155.7° | 180.0° |
| O1 | C9 | O2 | C10 | 20.9° | 0.0° |
| C9 | O2 | C10 | C11 | 170.1° | 180.0° |
| C9 | O2 | C10 | H3 | 69.7° | 60.0° |
| C9 | O2 | C10 | H4 | 50.0° | 60.0° |
| O2 | C10 | C11 | H3 | 120.2° | 120.0° |
| O2 | C10 | C11 | H4 | 120.2° | 120.0° |
| O2 | C10 | C11 | C16 | 62.7° | 90.5° |
| O2 | C10 | C11 | C12 | 117.0° | 90.0° |
| O2 | C10 | H3 | H4 | 119.5° | 120.0° |
| C10 | C11 | C16 | C12 | 179.8° | 179.4° |
| C10 | C11 | C16 | C15 | 179.1° | 179.7° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C11 | C10 | H3 | H4 | 119.5° | 120.0° |
| C10 | C11 | C12 | H5 | 0.1° | 0.1° |
| C10 | C11 | C16 | H13 | 1.0° | 0.6° |
| C11 | C16 | C15 | H13 | 180.0° | 179.7° |
| C11 | C16 | C15 | C14 | 1.8° | 0.0° |
| C16 | C11 | C12 | C13 | 0.1° | 0.6° |
| C16 | C11 | C10 | H3 | 57.4° | 29.4° |
| C16 | C11 | C10 | H4 | 177.1° | 149.5° |
| C16 | C11 | C12 | H5 | 179.9° | 179.5° |
| C11 | C16 | C15 | H12 | 178.2° | 179.9° |
| C15 | C16 | C11 | C12 | 1.2° | 0.3° |
| C16 | C15 | C14 | H12 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 1.6° | 0.0° |
| C16 | C15 | C14 | F1 | 178.4° | 179.7° |
| C11 | C12 | C13 | H5 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.2° | 0.6° |
| C12 | C11 | C10 | H3 | 122.8° | 150.0° |
| C12 | C11 | C10 | H4 | 3.1° | 29.9° |
| C11 | C12 | C13 | H6 | 179.8° | 179.5° |
| C12 | C11 | C16 | H13 | 178.8° | 180.0° |
| C15 | C14 | C13 | C12 | 0.5° | 0.3° |
| C15 | C14 | C13 | F1 | 179.9° | 179.8° |
| C15 | C14 | C13 | H6 | 179.5° | 179.8° |
| C14 | C15 | C16 | H13 | 178.1° | 179.7° |
| C12 | C13 | C14 | H6 | 180.0° | 180.0° |
| C12 | C13 | C14 | F1 | 179.4° | 180.0° |
| C14 | C13 | C12 | H5 | 179.8° | 179.5° |
| C13 | C14 | C15 | H12 | 178.4° | 180.0° |
| F1 | C14 | C13 | H6 | 0.6° | 0.0° |
| F1 | C14 | C15 | H12 | 1.6° | 0.2° |
| H1 | C7 | C8 | H2 | 0.3° | 0.0° |
| H5 | C12 | C13 | H6 | 0.2° | 0.4° |
| H7 | C3 | C2 | H16 | 0.6° | 0.1° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
| H12 | C15 | C16 | H13 | 1.9° | 0.2° |
| H14 | C18 | C19 | H15 | 0.3° | 0.0° |
| H15 | C19 | C20 | H17 | 0.6° | 0.0° |
| H19 | C24 | C25 | H21 | 59.8° | 180.0° |
| H19 | C24 | C25 | H22 | 60.2° | 60.1° |
| H19 | C24 | C25 | H23 | 179.8° | 60.0° |
| H20 | C24 | C25 | H21 | 59.8° | 60.0° |
| H20 | C24 | C25 | H22 | 179.8° | 180.0° |
| H20 | C24 | C25 | H23 | 60.2° | 60.0° |
| H21 | C25 | H22 | H23 | 120.0° | 120.0° |
