ZGV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C1 | sing | 1.53Å | 1.52Å | |
| O5 | C2 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | doub | 1.34Å | 1.33Å | |
| C4 | C5 | sing | 1.46Å | 1.43Å | |
| C5 | C6 | doub | 1.36Å | 1.35Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | C8 | sing | 1.41Å | 1.45Å | |
| C8 | C9 | doub | 1.36Å | 1.33Å | |
| C9 | C10 | sing | 1.41Å | 1.48Å | |
| O1 | C10 | doub | 1.22Å | 1.24Å | |
| C10 | N2 | sing | 1.35Å | 1.37Å | |
| N2 | C11 | sing | 1.35Å | 1.38Å | |
| O2 | C11 | doub | 1.22Å | 1.24Å | |
| C11 | C12 | sing | 1.46Å | 1.48Å | |
| C12 | C13 | doub | 1.35Å | 1.33Å | |
| O3 | C17 | doub | 1.22Å | 1.20Å | |
| C13 | C14 | sing | 1.47Å | 1.45Å | |
| C17 | N1 | sing | 1.35Å | 1.40Å | |
| C14 | N1 | sing | 1.40Å | 1.47Å | |
| C14 | C15 | doub | 1.34Å | 1.35Å | |
| N1 | C16 | sing | 1.46Å | 1.48Å | |
| C15 | C16 | sing | 1.50Å | 1.52Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| O5 | H7 | sing | 0.97Å | 0.95Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| C17 | O4 | sing | 1.35Å | 1.34Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C1 | C2 | 113.2° | 109.5° |
| C18 | C1 | H5 | 108.5° | 109.5° |
| C18 | C1 | H4 | 108.5° | 109.5° |
| C1 | C18 | H24 | 109.5° | 109.5° |
| C1 | C18 | H3 | 109.5° | 109.5° |
| C1 | C18 | H25 | 109.5° | 109.5° |
| O5 | C2 | C1 | 108.3° | 109.4° |
| O5 | C2 | C3 | 109.3° | 109.5° |
| O5 | C2 | H6 | 109.7° | 109.5° |
| C2 | O5 | H7 | 109.5° | 114.0° |
| C1 | C2 | C3 | 112.1° | 109.5° |
| C2 | C1 | H5 | 108.5° | 109.5° |
| C2 | C1 | H4 | 108.5° | 109.4° |
| C1 | C2 | H6 | 108.6° | 109.5° |
| C2 | C3 | C4 | 125.4° | 120.0° |
| C3 | C2 | H6 | 108.8° | 109.5° |
| C2 | C3 | H8 | 117.3° | 120.0° |
| C3 | C4 | C5 | 123.9° | 120.0° |
| C4 | C3 | H8 | 117.3° | 120.0° |
| C3 | C4 | H9 | 118.1° | 120.0° |
| C4 | C5 | C6 | 128.0° | 120.0° |
| C5 | C4 | H9 | 118.1° | 120.0° |
| C4 | C5 | H10 | 116.0° | 120.0° |
| C5 | C6 | C7 | 123.0° | 120.0° |
| C5 | C6 | C8 | 118.8° | 120.0° |
| C6 | C5 | H10 | 116.0° | 120.0° |
| C7 | C6 | C8 | 118.0° | 120.0° |
| C6 | C7 | H12 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.4° |
| C6 | C7 | H13 | 109.5° | 109.5° |
| C6 | C8 | C9 | 126.8° | 120.0° |
| C6 | C8 | H14 | 116.6° | 120.0° |
| C8 | C9 | C10 | 126.6° | 120.0° |
| C9 | C8 | H14 | 116.6° | 120.0° |
| C8 | C9 | H15 | 116.7° | 120.0° |
| C9 | C10 | O1 | 123.2° | 120.0° |
| C9 | C10 | N2 | 114.5° | 120.0° |
| C10 | C9 | H15 | 116.7° | 120.0° |
| O1 | C10 | N2 | 122.3° | 120.0° |
| C10 | N2 | C11 | 129.6° | 120.0° |
| C10 | N2 | H16 | 115.2° | 120.0° |
| N2 | C11 | O2 | 123.2° | 120.0° |
| N2 | C11 | C12 | 113.5° | 120.0° |
| C11 | N2 | H16 | 115.2° | 120.0° |
| O2 | C11 | C12 | 123.3° | 119.9° |
| C11 | C12 | C13 | 131.2° | 120.0° |
| C11 | C12 | H17 | 114.4° | 120.0° |
| C12 | C13 | C14 | 124.1° | 120.0° |
| C13 | C12 | H17 | 114.4° | 120.0° |
| C12 | C13 | H18 | 118.0° | 120.0° |
| O3 | C17 | N1 | 124.5° | 120.1° |
| O3 | C17 | O4 | 124.1° | 120.0° |
| C13 | C14 | N1 | 131.1° | 133.9° |
| C13 | C14 | C15 | 135.6° | 133.9° |
| C14 | C13 | H18 | 118.0° | 120.0° |
| C17 | N1 | C14 | 126.6° | 134.0° |
| C17 | N1 | C16 | 128.0° | 134.1° |
| N1 | C17 | O4 | 111.4° | 120.0° |
| N1 | C14 | C15 | 93.2° | 92.2° |
| C14 | N1 | C16 | 88.8° | 92.0° |
| C14 | C15 | C16 | 91.7° | 92.6° |
| C14 | C15 | H19 | 134.1° | 133.7° |
| N1 | C16 | C15 | 86.3° | 83.2° |
| N1 | C16 | H21 | 114.9° | 114.4° |
| N1 | C16 | H20 | 114.9° | 114.2° |
| C16 | C15 | H19 | 134.2° | 133.7° |
| C15 | C16 | H21 | 114.9° | 114.2° |
| C15 | C16 | H20 | 114.9° | 114.2° |
| H5 | C1 | H4 | 109.5° | 109.5° |
| H12 | C7 | H11 | 109.5° | 109.4° |
| H12 | C7 | H13 | 109.5° | 109.6° |
| H11 | C7 | H13 | 109.5° | 109.4° |
| H21 | C16 | H20 | 109.5° | 113.3° |
| H24 | C18 | H3 | 109.5° | 109.4° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H3 | C18 | H25 | 109.4° | 109.5° |
| C17 | O4 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C1 | C2 | O5 | 62.2° | 65.0° |
| C18 | C1 | C2 | H5 | 120.6° | 120.1° |
| C18 | C1 | C2 | H4 | 120.5° | 120.0° |
| C18 | C1 | C2 | C3 | 177.2° | 175.0° |
| C18 | C1 | H5 | H4 | 118.3° | 120.0° |
| C18 | C1 | C2 | H6 | 56.9° | 55.0° |
| C1 | C18 | H24 | H3 | 120.0° | 120.0° |
| C1 | C18 | H24 | H25 | 120.0° | 120.1° |
| C1 | C18 | H3 | H25 | 120.0° | 120.0° |
| O5 | C2 | C1 | C3 | 120.6° | 120.0° |
| O5 | C2 | C1 | H6 | 119.1° | 120.0° |
| O5 | C2 | C3 | H6 | 119.8° | 120.0° |
| O5 | C2 | C3 | C4 | 159.4° | 5.0° |
| O5 | C2 | C1 | H5 | 177.3° | 55.0° |
| O5 | C2 | C1 | H4 | 58.4° | 175.0° |
| O5 | C2 | C3 | H8 | 20.7° | 175.0° |
| C1 | C2 | C3 | H6 | 120.1° | 120.0° |
| C1 | C2 | C3 | C4 | 39.3° | 125.0° |
| C2 | C1 | H5 | H4 | 118.3° | 119.9° |
| C1 | C2 | C3 | H8 | 140.7° | 55.1° |
| C1 | C2 | O5 | H7 | 180.0° | 60.0° |
| C2 | C1 | C18 | H24 | 180.0° | 59.9° |
| C2 | C1 | C18 | H3 | 60.0° | 60.0° |
| C2 | C1 | C18 | H25 | 60.0° | 180.0° |
| C2 | C3 | C4 | H8 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.6° | 179.9° |
| C3 | C2 | C1 | H5 | 56.6° | 64.9° |
| C3 | C2 | C1 | H4 | 62.3° | 55.0° |
| C2 | C3 | C4 | H9 | 0.3° | 0.0° |
| C3 | C2 | O5 | H7 | 57.6° | 59.9° |
| C3 | C4 | C5 | H9 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 179.4° | 180.0° |
| C4 | C3 | C2 | H6 | 80.8° | 115.0° |
| C3 | C4 | C5 | H10 | 0.6° | 0.1° |
| C4 | C5 | C6 | H10 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 3.3° | 0.1° |
| C4 | C5 | C6 | C8 | 173.0° | 180.0° |
| C5 | C4 | C3 | H8 | 0.4° | 0.0° |
| C5 | C6 | C7 | C8 | 176.4° | 179.9° |
| C5 | C6 | C8 | C9 | 147.6° | 180.0° |
| C6 | C5 | C4 | H9 | 0.6° | 0.1° |
| C5 | C6 | C7 | H12 | 180.0° | 90.0° |
| C5 | C6 | C7 | H11 | 60.0° | 150.1° |
| C5 | C6 | C7 | H13 | 60.0° | 30.1° |
| C5 | C6 | C8 | H14 | 32.5° | 0.1° |
| C7 | C6 | C8 | C9 | 28.9° | 0.1° |
| C7 | C6 | C5 | H10 | 176.7° | 180.0° |
| C6 | C7 | H12 | H11 | 120.0° | 119.9° |
| C6 | C7 | H12 | H13 | 120.0° | 120.1° |
| C6 | C7 | H11 | H13 | 120.0° | 120.0° |
| C7 | C6 | C8 | H14 | 151.0° | 180.0° |
| C6 | C8 | C9 | H14 | 180.0° | 179.9° |
| C6 | C8 | C9 | C10 | 179.8° | 180.0° |
| C8 | C6 | C5 | H10 | 7.0° | 0.1° |
| C8 | C6 | C7 | H12 | 3.6° | 89.9° |
| C8 | C6 | C7 | H11 | 116.4° | 30.0° |
| C8 | C6 | C7 | H13 | 123.6° | 150.0° |
| C6 | C8 | C9 | H15 | 0.2° | 0.0° |
| C8 | C9 | C10 | H15 | 180.0° | 180.0° |
| C8 | C9 | C10 | O1 | 3.2° | 0.0° |
| C8 | C9 | C10 | N2 | 176.7° | 180.0° |
| C9 | C10 | O1 | N2 | 179.9° | 179.9° |
| C9 | C10 | N2 | C11 | 128.9° | 180.0° |
| C10 | C9 | C8 | H14 | 0.2° | 0.1° |
| C9 | C10 | N2 | H16 | 51.1° | 0.0° |
| O1 | C10 | N2 | C11 | 51.2° | 0.1° |
| O1 | C10 | C9 | H15 | 176.8° | 180.0° |
| O1 | C10 | N2 | H16 | 128.8° | 179.9° |
| C10 | N2 | C11 | H16 | 180.0° | 180.0° |
| C10 | N2 | C11 | O2 | 1.3° | 0.0° |
| C10 | N2 | C11 | C12 | 179.8° | 180.0° |
| N2 | C10 | C9 | H15 | 3.3° | 0.0° |
| N2 | C11 | O2 | C12 | 178.8° | 180.0° |
| N2 | C11 | C12 | C13 | 179.4° | 180.0° |
| N2 | C11 | C12 | H17 | 0.6° | 0.0° |
| O2 | C11 | C12 | C13 | 1.7° | 0.0° |
| O2 | C11 | C12 | H17 | 178.3° | 180.0° |
| O2 | C11 | N2 | H16 | 178.7° | 180.0° |
| C11 | C12 | C13 | H17 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.9° | 176.3° |
| C11 | C12 | C13 | H18 | 0.2° | 3.7° |
| C12 | C11 | N2 | H16 | 0.2° | 0.0° |
| C12 | C13 | C14 | H18 | 180.0° | 180.0° |
| C12 | C13 | C14 | N1 | 1.3° | 7.0° |
| C12 | C13 | C14 | C15 | 177.2° | 172.7° |
| O3 | C17 | N1 | O4 | 179.7° | 179.9° |
| O3 | C17 | N1 | C14 | 51.3° | 5.9° |
| O3 | C17 | N1 | C16 | 174.4° | 174.2° |
| O3 | C17 | O4 | H1 | 0.0° | 0.0° |
| C13 | C14 | N1 | C17 | 41.5° | 0.1° |
| C13 | C14 | N1 | C15 | 178.9° | 179.8° |
| C13 | C14 | N1 | C16 | 179.8° | 180.0° |
| C13 | C14 | C15 | C16 | 179.7° | 180.0° |
| C14 | C13 | C12 | H17 | 0.2° | 3.7° |
| C13 | C14 | C15 | H19 | 0.3° | 0.1° |
| C17 | N1 | C14 | C16 | 138.7° | 180.0° |
| C17 | N1 | C14 | C15 | 139.6° | 179.7° |
| C17 | N1 | C16 | C15 | 138.6° | 179.7° |
| C17 | N1 | C16 | H21 | 105.6° | 66.7° |
| C17 | N1 | C16 | H20 | 22.7° | 66.2° |
| N1 | C17 | O4 | H1 | 179.7° | 180.0° |
| N1 | C14 | C15 | C16 | 0.9° | 0.2° |
| N1 | C14 | C13 | H18 | 178.7° | 173.0° |
| N1 | C14 | C15 | H19 | 179.1° | 179.7° |
| C14 | N1 | C16 | H21 | 116.6° | 113.4° |
| C14 | N1 | C16 | H20 | 115.0° | 113.8° |
| C14 | N1 | C17 | O4 | 128.4° | 174.2° |
| C14 | C15 | C16 | H19 | 180.0° | 180.0° |
| C15 | C14 | C13 | H18 | 2.9° | 7.3° |
| C14 | C15 | C16 | H21 | 116.7° | 113.5° |
| C14 | C15 | C16 | H20 | 114.9° | 113.7° |
| N1 | C16 | C15 | H21 | 115.8° | 113.7° |
| N1 | C16 | C15 | H20 | 115.8° | 113.5° |
| N1 | C16 | C15 | H19 | 179.1° | 179.7° |
| N1 | C16 | H21 | H20 | 131.1° | 133.2° |
| C16 | N1 | C17 | O4 | 5.3° | 5.8° |
| C15 | C16 | H21 | H20 | 131.1° | 133.2° |
| H5 | C1 | C2 | H6 | 63.6° | 175.0° |
| H5 | C1 | C18 | H24 | 59.4° | 180.0° |
| H5 | C1 | C18 | H3 | 60.6° | 60.1° |
| H5 | C1 | C18 | H25 | 179.5° | 60.0° |
| H4 | C1 | C2 | H6 | 177.5° | 65.0° |
| H4 | C1 | C18 | H24 | 59.5° | 60.0° |
| H4 | C1 | C18 | H3 | 179.5° | 179.9° |
| H4 | C1 | C18 | H25 | 60.5° | 60.0° |
| H6 | C2 | C3 | H8 | 99.2° | 65.0° |
| H6 | C2 | O5 | H7 | 61.6° | 180.0° |
| H8 | C3 | C4 | H9 | 179.7° | 179.9° |
| H9 | C4 | C5 | H10 | 179.4° | 180.0° |
| H12 | C7 | H11 | H13 | 120.0° | 120.0° |
| H14 | C8 | C9 | H15 | 179.8° | 179.9° |
| H17 | C12 | C13 | H18 | 179.8° | 176.3° |
| H19 | C15 | C16 | H21 | 63.4° | 66.5° |
| H19 | C15 | C16 | H20 | 65.0° | 66.2° |
| H24 | C18 | H3 | H25 | 120.0° | 120.0° |
