ZNX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.41Å | |
| N1 | C6 | sing | 1.35Å | 1.37Å | |
| C6 | O2 | doub | 1.22Å | 1.26Å | |
| C6 | N2 | sing | 1.35Å | 1.36Å | |
| N2 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C9 | sing | 1.47Å | 1.45Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| N3 | C11 | sing | 1.35Å | 1.33Å | |
| C11 | O3 | doub | 1.22Å | 1.22Å | |
| C11 | C12 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | doub | 1.37Å | 1.36Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | C15 | doub | 1.35Å | 1.35Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.48Å | |
| C15 | O4 | sing | 1.34Å | 1.37Å | Aromatic |
| C5 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| C12 | O4 | sing | 1.35Å | 1.40Å | Aromatic |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 118.4° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C2 | C3 | 118.8° | 120.0° |
| O1 | C2 | C18 | 121.5° | 120.0° |
| C2 | C3 | C4 | 119.6° | 120.0° |
| C3 | C2 | C18 | 119.5° | 120.0° |
| C2 | C3 | H4 | 120.2° | 120.0° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C3 | C4 | H5 | 119.4° | 120.0° |
| C4 | C3 | H4 | 120.2° | 120.0° |
| C4 | C5 | N1 | 123.0° | 120.0° |
| C4 | C5 | C17 | 118.4° | 120.0° |
| C5 | C4 | H5 | 119.4° | 120.0° |
| C5 | N1 | C6 | 121.6° | 120.0° |
| N1 | C5 | C17 | 118.5° | 120.1° |
| C5 | N1 | H6 | 119.2° | 120.0° |
| N1 | C6 | O2 | 120.6° | 120.0° |
| N1 | C6 | N2 | 114.7° | 120.0° |
| C6 | N1 | H6 | 119.2° | 120.0° |
| O2 | C6 | N2 | 124.6° | 120.0° |
| C6 | N2 | C7 | 120.6° | 120.6° |
| C6 | N2 | C10 | 123.4° | 120.7° |
| N2 | C7 | C8 | 115.6° | 108.6° |
| C7 | N2 | C10 | 114.9° | 118.7° |
| N2 | C7 | H8 | 107.9° | 109.6° |
| N2 | C7 | H7 | 107.9° | 109.8° |
| C7 | C8 | N3 | 112.2° | 108.7° |
| C8 | C7 | H8 | 107.9° | 109.6° |
| C8 | C7 | H7 | 107.9° | 109.6° |
| C7 | C8 | H10 | 108.8° | 109.6° |
| C7 | C8 | H9 | 108.8° | 109.6° |
| C8 | N3 | C9 | 114.6° | 118.7° |
| C8 | N3 | C11 | 124.5° | 120.7° |
| N3 | C8 | H10 | 108.8° | 109.6° |
| N3 | C8 | H9 | 108.8° | 109.6° |
| N3 | C9 | C10 | 109.9° | 108.7° |
| C9 | N3 | C11 | 121.0° | 120.6° |
| N3 | C9 | H11 | 109.4° | 109.6° |
| N3 | C9 | H12 | 109.4° | 109.6° |
| C9 | C10 | N2 | 112.7° | 108.4° |
| C9 | C10 | H14 | 108.7° | 109.9° |
| C9 | C10 | H13 | 108.7° | 109.7° |
| C10 | C9 | H11 | 109.3° | 109.6° |
| C10 | C9 | H12 | 109.3° | 109.6° |
| N3 | C11 | O3 | 119.3° | 120.0° |
| N3 | C11 | C12 | 120.7° | 120.0° |
| O3 | C11 | C12 | 119.6° | 120.0° |
| C11 | C12 | C13 | 125.0° | 126.0° |
| C11 | C12 | O4 | 124.4° | 126.0° |
| C12 | C13 | C14 | 104.6° | 106.7° |
| C13 | C12 | O4 | 110.4° | 108.0° |
| C12 | C13 | H15 | 127.7° | 126.6° |
| C13 | C14 | C15 | 109.6° | 107.1° |
| C14 | C13 | H15 | 127.7° | 126.7° |
| C13 | C14 | H16 | 125.2° | 126.4° |
| C14 | C15 | C16 | 132.2° | 125.6° |
| C14 | C15 | O4 | 108.9° | 108.8° |
| C15 | C14 | H16 | 125.2° | 126.4° |
| C16 | C15 | O4 | 118.8° | 125.6° |
| C15 | C16 | H19 | 109.5° | 109.5° |
| C15 | C16 | H18 | 109.5° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.5° |
| C15 | O4 | C12 | 106.1° | 109.4° |
| C5 | C17 | C18 | 120.9° | 120.0° |
| C5 | C17 | H20 | 119.5° | 120.0° |
| C17 | C18 | C2 | 120.3° | 120.0° |
| C18 | C17 | H20 | 119.5° | 120.0° |
| C17 | C18 | H21 | 119.9° | 120.0° |
| C2 | C18 | H21 | 119.9° | 119.9° |
| N2 | C10 | H14 | 108.7° | 109.6° |
| N2 | C10 | H13 | 108.7° | 109.6° |
| H8 | C7 | H7 | 109.5° | 109.6° |
| H10 | C8 | H9 | 109.5° | 109.7° |
| H14 | C10 | H13 | 109.5° | 109.6° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H11 | C9 | H12 | 109.5° | 109.7° |
| H19 | C16 | H18 | 109.5° | 109.5° |
| H19 | C16 | H17 | 109.5° | 109.4° |
| H18 | C16 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 142.4° | 180.0° |
| C1 | O1 | C2 | C18 | 43.1° | 0.5° |
| O1 | C1 | H2 | H1 | 120.0° | 120.1° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C2 | C3 | C18 | 174.7° | 179.5° |
| O1 | C2 | C3 | C4 | 177.8° | 179.9° |
| O1 | C2 | C18 | C17 | 177.4° | 179.7° |
| C2 | O1 | C1 | H2 | 180.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.1° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | C3 | H4 | 2.1° | 0.5° |
| O1 | C2 | C18 | H21 | 2.6° | 0.3° |
| C2 | C3 | C4 | H4 | 180.0° | 179.4° |
| C2 | C3 | C4 | C5 | 2.0° | 0.1° |
| C3 | C2 | C18 | C17 | 2.8° | 0.8° |
| C2 | C3 | C4 | H5 | 177.9° | 179.8° |
| C3 | C2 | C18 | H21 | 177.1° | 179.8° |
| C3 | C4 | C5 | H5 | 180.0° | 179.8° |
| C3 | C4 | C5 | N1 | 175.8° | 179.8° |
| C3 | C4 | C5 | C17 | 0.6° | 0.2° |
| C4 | C3 | C2 | C18 | 3.2° | 0.6° |
| C4 | C5 | N1 | C17 | 175.2° | 180.0° |
| C4 | C5 | N1 | C6 | 108.5° | 145.5° |
| C4 | C5 | C17 | C18 | 0.2° | 0.1° |
| C4 | C5 | N1 | H6 | 71.5° | 34.3° |
| C4 | C5 | C17 | H20 | 179.8° | 180.0° |
| C5 | C4 | C3 | H4 | 177.9° | 179.5° |
| C5 | N1 | C6 | H6 | 180.0° | 179.8° |
| C5 | N1 | C6 | O2 | 0.2° | 5.8° |
| C5 | N1 | C6 | N2 | 177.9° | 174.2° |
| N1 | C5 | C17 | C18 | 175.6° | 179.9° |
| N1 | C5 | C4 | H5 | 4.2° | 0.0° |
| N1 | C5 | C17 | H20 | 4.3° | 0.0° |
| N1 | C6 | O2 | N2 | 177.9° | 180.0° |
| N1 | C6 | N2 | C7 | 148.7° | 174.0° |
| C6 | N1 | C5 | C17 | 66.7° | 34.5° |
| N1 | C6 | N2 | C10 | 19.1° | 6.2° |
| O2 | C6 | N2 | C7 | 33.3° | 6.1° |
| O2 | C6 | N2 | C10 | 159.0° | 173.8° |
| O2 | C6 | N1 | H6 | 179.7° | 174.4° |
| C6 | N2 | C7 | C10 | 168.7° | 179.9° |
| C6 | N2 | C7 | C8 | 151.5° | 124.8° |
| C6 | N2 | C10 | C9 | 144.3° | 124.7° |
| N2 | C6 | N1 | H6 | 2.1° | 5.6° |
| C6 | N2 | C7 | H8 | 30.6° | 115.5° |
| C6 | N2 | C7 | H7 | 87.6° | 4.9° |
| C6 | N2 | C10 | H14 | 23.8° | 115.4° |
| C6 | N2 | C10 | H13 | 95.2° | 5.0° |
| N2 | C7 | C8 | H8 | 120.9° | 119.7° |
| N2 | C7 | C8 | H7 | 120.9° | 120.0° |
| N2 | C7 | C8 | N3 | 39.8° | 49.4° |
| C7 | N2 | C10 | C9 | 47.3° | 55.5° |
| N2 | C7 | H8 | H7 | 117.2° | 120.6° |
| N2 | C7 | C8 | H10 | 80.5° | 169.2° |
| N2 | C7 | C8 | H9 | 160.2° | 70.4° |
| C7 | N2 | C10 | H14 | 167.8° | 64.5° |
| C7 | N2 | C10 | H13 | 73.1° | 175.1° |
| C7 | C8 | N3 | H10 | 120.4° | 119.7° |
| C7 | C8 | N3 | H9 | 120.4° | 119.8° |
| C7 | C8 | N3 | C9 | 49.9° | 55.2° |
| C7 | C8 | N3 | C11 | 129.5° | 125.0° |
| C8 | C7 | N2 | C10 | 39.8° | 55.3° |
| C8 | C7 | H8 | H7 | 117.2° | 120.4° |
| C7 | C8 | H10 | H9 | 118.8° | 120.4° |
| C8 | N3 | C9 | C11 | 179.5° | 179.8° |
| C8 | N3 | C9 | C10 | 57.7° | 55.5° |
| C8 | N3 | C11 | O3 | 167.1° | 6.1° |
| C8 | N3 | C11 | C12 | 20.2° | 173.8° |
| N3 | C8 | C7 | H8 | 160.7° | 70.2° |
| N3 | C8 | C7 | H7 | 81.0° | 169.4° |
| N3 | C8 | H10 | H9 | 118.8° | 120.4° |
| C8 | N3 | C9 | H11 | 62.3° | 64.3° |
| C8 | N3 | C9 | H12 | 177.8° | 175.2° |
| N3 | C9 | C10 | H11 | 120.1° | 119.8° |
| N3 | C9 | C10 | H12 | 120.1° | 119.8° |
| C9 | N3 | C11 | O3 | 13.5° | 174.1° |
| C9 | N3 | C11 | C12 | 159.2° | 6.0° |
| N3 | C9 | C10 | N2 | 55.3° | 49.7° |
| C9 | N3 | C8 | H10 | 70.5° | 174.9° |
| C9 | N3 | C8 | H9 | 170.3° | 64.6° |
| N3 | C9 | C10 | H14 | 175.8° | 70.1° |
| N3 | C9 | C10 | H13 | 65.2° | 169.3° |
| N3 | C9 | H11 | H12 | 119.8° | 120.4° |
| C10 | C9 | N3 | C11 | 121.8° | 124.8° |
| C9 | C10 | N2 | H14 | 120.5° | 120.0° |
| C9 | C10 | N2 | H13 | 120.5° | 119.7° |
| C9 | C10 | H14 | H13 | 118.5° | 120.6° |
| C10 | C9 | H11 | H12 | 119.8° | 120.4° |
| N3 | C11 | O3 | C12 | 172.8° | 179.9° |
| N3 | C11 | C12 | C13 | 174.8° | 152.1° |
| N3 | C11 | C12 | O4 | 11.2° | 27.9° |
| C11 | N3 | C8 | H10 | 110.1° | 5.3° |
| C11 | N3 | C8 | H9 | 9.1° | 115.2° |
| C11 | N3 | C9 | H11 | 118.2° | 115.5° |
| C11 | N3 | C9 | H12 | 1.7° | 5.0° |
| O3 | C11 | C12 | C13 | 12.5° | 27.9° |
| O3 | C11 | C12 | O4 | 161.5° | 152.1° |
| C11 | C12 | C13 | O4 | 174.7° | 180.0° |
| C11 | C12 | C13 | C14 | 179.4° | 180.0° |
| C11 | C12 | O4 | C15 | 175.5° | 179.7° |
| C11 | C12 | C13 | H15 | 0.6° | 0.3° |
| C12 | C13 | C14 | H15 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 7.0° | 0.2° |
| C13 | C12 | O4 | C15 | 0.8° | 0.3° |
| C12 | C13 | C14 | H16 | 173.0° | 179.7° |
| C13 | C14 | C15 | H16 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 175.6° | 180.0° |
| C13 | C14 | C15 | O4 | 6.8° | 0.4° |
| C14 | C13 | C12 | O4 | 4.7° | 0.0° |
| C14 | C15 | C16 | O4 | 177.4° | 179.6° |
| C14 | C15 | O4 | C12 | 3.7° | 0.4° |
| C15 | C14 | C13 | H15 | 172.9° | 180.0° |
| C14 | C15 | C16 | H19 | 177.4° | 179.5° |
| C14 | C15 | C16 | H18 | 62.6° | 59.5° |
| C14 | C15 | C16 | H17 | 57.4° | 60.5° |
| C16 | C15 | O4 | C12 | 178.3° | 180.0° |
| C16 | C15 | C14 | H16 | 4.4° | 0.1° |
| C15 | C16 | H19 | H18 | 120.0° | 120.0° |
| C15 | C16 | H19 | H17 | 120.0° | 120.0° |
| C15 | C16 | H18 | H17 | 120.0° | 120.0° |
| O4 | C15 | C14 | H16 | 173.2° | 179.6° |
| O4 | C15 | C16 | H19 | 0.0° | 0.0° |
| O4 | C15 | C16 | H18 | 120.0° | 120.1° |
| O4 | C15 | C16 | H17 | 120.0° | 119.9° |
| C5 | C17 | C18 | H20 | 180.0° | 179.9° |
| C5 | C17 | C18 | C2 | 1.4° | 0.6° |
| C17 | C5 | N1 | H6 | 113.3° | 145.7° |
| C17 | C5 | C4 | H5 | 179.4° | 180.0° |
| C5 | C17 | C18 | H21 | 178.6° | 180.0° |
| C17 | C18 | C2 | H21 | 180.0° | 179.4° |
| C2 | C18 | C17 | H20 | 178.6° | 179.5° |
| C18 | C2 | C3 | H4 | 176.8° | 180.0° |
| C10 | N2 | C7 | H8 | 160.6° | 64.3° |
| C10 | N2 | C7 | H7 | 81.1° | 175.2° |
| N2 | C10 | H14 | H13 | 118.5° | 120.3° |
| N2 | C10 | C9 | H11 | 64.8° | 70.1° |
| N2 | C10 | C9 | H12 | 175.4° | 169.5° |
| O4 | C12 | C13 | H15 | 175.3° | 179.7° |
| H5 | C4 | C3 | H4 | 2.1° | 0.3° |
| H8 | C7 | C8 | H10 | 40.3° | 49.5° |
| H8 | C7 | C8 | H9 | 78.9° | 169.9° |
| H7 | C7 | C8 | H10 | 158.6° | 70.9° |
| H7 | C7 | C8 | H9 | 39.4° | 49.6° |
| H14 | C10 | C9 | H11 | 55.7° | 170.2° |
| H14 | C10 | C9 | H12 | 64.2° | 49.7° |
| H13 | C10 | C9 | H11 | 174.7° | 49.6° |
| H13 | C10 | C9 | H12 | 54.9° | 70.9° |
| H15 | C13 | C14 | H16 | 7.1° | 0.0° |
| H20 | C17 | C18 | H21 | 1.4° | 0.1° |
| H2 | C1 | H1 | H3 | 120.0° | 119.9° |
| H19 | C16 | H18 | H17 | 120.0° | 120.0° |
