ZHE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C5 | sing | 1.43Å | 1.42Å | |
| O2 | C4 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| C7 | O4 | sing | 1.43Å | 1.43Å | |
| C6 | O5 | sing | 1.43Å | 1.44Å | |
| C3 | N1 | sing | 1.46Å | 1.45Å | |
| C3 | C8 | sing | 1.53Å | 1.54Å | |
| O5 | C8 | sing | 1.43Å | 1.42Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C8 | O6 | sing | 1.43Å | 1.39Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| O6 | C9 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C15 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C5 | C4 | 112.1° | 109.5° |
| O3 | C5 | C6 | 108.2° | 109.5° |
| O3 | C5 | H8 | 109.7° | 109.5° |
| C5 | O3 | H9 | 109.5° | 114.0° |
| O2 | C4 | C5 | 111.1° | 109.6° |
| O2 | C4 | C3 | 111.4° | 109.6° |
| O2 | C4 | H6 | 108.7° | 109.5° |
| C4 | O2 | H7 | 109.5° | 114.0° |
| C4 | C5 | C6 | 110.3° | 109.2° |
| C5 | C4 | C3 | 110.3° | 109.1° |
| C5 | C4 | H6 | 107.5° | 109.6° |
| C4 | C5 | H8 | 108.2° | 109.5° |
| C5 | C6 | C7 | 112.6° | 109.5° |
| C5 | C6 | O5 | 108.0° | 109.4° |
| C6 | C5 | H8 | 108.3° | 109.6° |
| C5 | C6 | H10 | 109.2° | 109.5° |
| C4 | C3 | N1 | 110.6° | 109.5° |
| C4 | C3 | C8 | 109.1° | 109.2° |
| C4 | C3 | H5 | 108.0° | 109.6° |
| C3 | C4 | H6 | 107.6° | 109.6° |
| C6 | C7 | O4 | 111.5° | 109.5° |
| C7 | C6 | O5 | 107.0° | 109.5° |
| C7 | C6 | H10 | 109.6° | 109.5° |
| C6 | C7 | H11 | 109.0° | 109.4° |
| C6 | C7 | H12 | 109.0° | 109.5° |
| O4 | C7 | H11 | 109.0° | 109.5° |
| O4 | C7 | H12 | 108.9° | 109.5° |
| C7 | O4 | H13 | 109.5° | 114.0° |
| C6 | O5 | C8 | 111.5° | 114.1° |
| O5 | C6 | H10 | 110.4° | 109.5° |
| N1 | C3 | C8 | 112.2° | 109.5° |
| C3 | N1 | C2 | 127.3° | 120.0° |
| C3 | N1 | H4 | 116.4° | 120.1° |
| N1 | C3 | H5 | 109.0° | 109.5° |
| C3 | C8 | O5 | 111.2° | 109.4° |
| C3 | C8 | O6 | 109.0° | 109.5° |
| C8 | C3 | H5 | 107.8° | 109.5° |
| C3 | C8 | H14 | 108.1° | 109.5° |
| O5 | C8 | O6 | 108.7° | 109.5° |
| O5 | C8 | H14 | 109.7° | 109.4° |
| N1 | C2 | O1 | 121.9° | 120.0° |
| N1 | C2 | C1 | 116.8° | 120.0° |
| C2 | N1 | H4 | 116.4° | 119.9° |
| C8 | O6 | C9 | 113.9° | 114.0° |
| O6 | C8 | H14 | 110.2° | 109.6° |
| O1 | C2 | C1 | 121.3° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| O6 | C9 | C10 | 109.5° | 109.5° |
| O6 | C9 | H15 | 109.5° | 109.5° |
| O6 | C9 | H16 | 109.4° | 109.4° |
| C9 | C10 | C15 | 111.0° | 109.5° |
| C9 | C10 | C11 | 109.8° | 109.5° |
| C10 | C9 | H15 | 109.5° | 109.5° |
| C10 | C9 | H16 | 109.5° | 109.5° |
| C9 | C10 | H17 | 107.9° | 109.5° |
| C15 | C10 | C11 | 112.3° | 109.5° |
| C10 | C15 | C14 | 112.0° | 109.5° |
| C15 | C10 | H17 | 107.8° | 109.4° |
| C10 | C15 | H26 | 108.8° | 109.4° |
| C10 | C15 | H27 | 108.8° | 109.5° |
| C10 | C11 | C12 | 111.7° | 109.5° |
| C11 | C10 | H17 | 107.8° | 109.5° |
| C10 | C11 | H18 | 108.9° | 109.4° |
| C10 | C11 | H19 | 108.9° | 109.4° |
| C15 | C14 | C13 | 110.6° | 109.5° |
| C15 | C14 | H24 | 109.2° | 109.5° |
| C15 | C14 | H25 | 109.2° | 109.4° |
| C14 | C15 | H26 | 108.8° | 109.5° |
| C14 | C15 | H27 | 108.8° | 109.5° |
| C11 | C12 | C13 | 111.7° | 109.5° |
| C12 | C11 | H18 | 108.9° | 109.5° |
| C12 | C11 | H19 | 108.9° | 109.5° |
| C11 | C12 | H20 | 108.9° | 109.5° |
| C11 | C12 | H21 | 108.9° | 109.4° |
| C14 | C13 | C12 | 111.0° | 109.4° |
| C14 | C13 | H22 | 109.1° | 109.5° |
| C14 | C13 | H23 | 109.1° | 109.5° |
| C13 | C14 | H24 | 109.2° | 109.5° |
| C13 | C14 | H25 | 109.2° | 109.5° |
| C13 | C12 | H20 | 108.9° | 109.5° |
| C13 | C12 | H21 | 108.9° | 109.4° |
| C12 | C13 | H22 | 109.1° | 109.4° |
| C12 | C13 | H23 | 109.1° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.4° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C5 | C4 | O2 | 60.5° | 63.2° |
| O3 | C5 | C4 | C6 | 120.6° | 119.9° |
| O3 | C5 | C4 | H8 | 121.1° | 120.2° |
| O3 | C5 | C6 | H8 | 118.8° | 120.2° |
| O3 | C5 | C4 | C3 | 175.4° | 176.9° |
| O3 | C5 | C6 | C7 | 59.6° | 62.5° |
| O3 | C5 | C6 | O5 | 177.5° | 177.5° |
| O3 | C5 | C4 | H6 | 58.3° | 57.0° |
| O3 | C5 | C6 | H10 | 62.4° | 57.5° |
| O2 | C4 | C5 | C3 | 124.1° | 119.9° |
| O2 | C4 | C5 | H6 | 118.9° | 120.1° |
| O2 | C4 | C5 | C6 | 178.8° | 176.9° |
| O2 | C4 | C3 | H6 | 119.1° | 120.1° |
| O2 | C4 | C3 | N1 | 60.8° | 63.1° |
| O2 | C4 | C3 | C8 | 175.3° | 176.9° |
| O2 | C4 | C3 | H5 | 58.4° | 57.0° |
| O2 | C4 | C5 | H8 | 60.5° | 57.0° |
| C4 | C5 | C6 | H8 | 118.3° | 119.9° |
| C5 | C4 | C3 | H6 | 117.0° | 119.9° |
| C4 | C5 | C6 | C7 | 177.5° | 177.6° |
| C4 | C5 | C6 | O5 | 59.6° | 57.6° |
| C5 | C4 | C3 | N1 | 175.2° | 176.9° |
| C5 | C4 | C3 | C8 | 51.4° | 57.0° |
| C5 | C4 | C3 | H5 | 65.6° | 63.0° |
| C5 | C4 | O2 | H7 | 180.0° | 60.4° |
| C4 | C5 | O3 | H9 | 180.0° | 180.0° |
| C4 | C5 | C6 | H10 | 60.5° | 62.4° |
| C6 | C5 | C4 | C3 | 54.7° | 57.0° |
| C5 | C6 | C7 | O5 | 118.6° | 119.9° |
| C5 | C6 | C7 | H10 | 121.7° | 120.1° |
| C5 | C6 | C7 | O4 | 179.7° | 175.0° |
| C5 | C6 | O5 | H10 | 119.4° | 120.0° |
| C5 | C6 | O5 | C8 | 64.6° | 61.2° |
| C6 | C5 | C4 | H6 | 62.3° | 62.9° |
| C6 | C5 | O3 | H9 | 58.1° | 60.3° |
| C5 | C6 | C7 | H11 | 59.4° | 55.1° |
| C5 | C6 | C7 | H12 | 60.0° | 64.9° |
| C4 | C3 | N1 | C8 | 122.0° | 119.7° |
| C4 | C3 | N1 | H5 | 118.6° | 120.2° |
| C4 | C3 | C8 | H5 | 117.1° | 120.0° |
| C4 | C3 | C8 | O5 | 55.7° | 57.6° |
| C4 | C3 | N1 | C2 | 126.7° | 155.3° |
| C4 | C3 | C8 | O6 | 175.5° | 177.5° |
| C4 | C3 | N1 | H4 | 53.3° | 24.7° |
| C3 | C4 | O2 | H7 | 56.5° | 180.0° |
| C3 | C4 | C5 | H8 | 63.6° | 63.0° |
| C4 | C3 | C8 | H14 | 64.7° | 62.3° |
| C6 | C7 | O4 | H11 | 120.3° | 119.9° |
| C6 | C7 | O4 | H12 | 120.3° | 120.1° |
| C7 | C6 | O5 | H10 | 119.2° | 120.0° |
| C7 | C6 | O5 | C8 | 174.0° | 178.9° |
| C7 | C6 | C5 | H8 | 59.3° | 57.6° |
| C6 | C7 | H11 | H12 | 119.1° | 120.0° |
| C6 | C7 | O4 | H13 | 180.0° | 179.9° |
| O4 | C7 | C6 | O5 | 61.7° | 65.1° |
| O4 | C7 | C6 | H10 | 58.0° | 54.9° |
| O4 | C7 | H11 | H12 | 119.0° | 120.0° |
| C6 | O5 | C8 | C3 | 63.7° | 61.1° |
| C6 | O5 | C8 | O6 | 176.4° | 178.9° |
| O5 | C6 | C5 | H8 | 58.7° | 62.3° |
| O5 | C6 | C7 | H11 | 178.0° | 175.0° |
| O5 | C6 | C7 | H12 | 58.6° | 55.0° |
| C6 | O5 | C8 | H14 | 55.9° | 58.8° |
| N1 | C3 | C8 | H5 | 120.1° | 120.1° |
| N1 | C3 | C8 | O5 | 178.6° | 177.5° |
| C3 | N1 | C2 | H4 | 180.0° | 180.0° |
| N1 | C3 | C8 | O6 | 61.6° | 62.5° |
| C3 | N1 | C2 | O1 | 3.1° | 0.0° |
| C3 | N1 | C2 | C1 | 177.3° | 180.0° |
| N1 | C3 | C4 | H6 | 58.2° | 57.0° |
| N1 | C3 | C8 | H14 | 58.1° | 57.6° |
| C3 | C8 | O5 | O6 | 120.0° | 120.0° |
| C3 | C8 | O5 | H14 | 119.6° | 119.9° |
| C8 | C3 | N1 | C2 | 111.3° | 85.0° |
| C3 | C8 | O6 | H14 | 118.5° | 120.1° |
| C3 | C8 | O6 | C9 | 160.9° | 175.0° |
| C8 | C3 | N1 | H4 | 68.7° | 95.0° |
| C8 | C3 | C4 | H6 | 65.6° | 62.9° |
| O5 | C8 | O6 | H14 | 120.2° | 120.0° |
| O5 | C8 | O6 | C9 | 77.8° | 65.1° |
| O5 | C8 | C3 | H5 | 61.3° | 62.4° |
| C8 | O5 | C6 | H10 | 54.8° | 58.8° |
| N1 | C2 | O1 | C1 | 179.7° | 180.0° |
| N1 | C2 | C1 | H1 | 179.7° | 180.0° |
| N1 | C2 | C1 | H2 | 59.7° | 60.0° |
| N1 | C2 | C1 | H3 | 60.3° | 60.0° |
| C2 | N1 | C3 | H5 | 8.1° | 35.1° |
| C8 | O6 | C9 | C10 | 92.1° | 180.0° |
| O6 | C8 | C3 | H5 | 58.4° | 57.5° |
| C8 | O6 | C9 | H15 | 28.0° | 60.0° |
| C8 | O6 | C9 | H16 | 147.9° | 60.1° |
| O1 | C2 | C1 | H1 | 0.0° | 0.0° |
| O1 | C2 | C1 | H2 | 120.0° | 120.0° |
| O1 | C2 | C1 | H3 | 120.0° | 120.0° |
| O1 | C2 | N1 | H4 | 176.9° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | N1 | H4 | 2.7° | 0.0° |
| O6 | C9 | C10 | H15 | 120.0° | 120.0° |
| O6 | C9 | C10 | H16 | 120.0° | 120.0° |
| O6 | C9 | C10 | C15 | 58.5° | 175.0° |
| O6 | C9 | C10 | C11 | 176.6° | 65.0° |
| C9 | O6 | C8 | H14 | 42.4° | 54.9° |
| O6 | C9 | H15 | H16 | 119.9° | 120.0° |
| O6 | C9 | C10 | H17 | 59.4° | 55.0° |
| C9 | C10 | C15 | C11 | 123.4° | 120.0° |
| C9 | C10 | C15 | H17 | 118.0° | 120.0° |
| C9 | C10 | C11 | H17 | 117.3° | 120.0° |
| C9 | C10 | C15 | C14 | 175.7° | 180.0° |
| C9 | C10 | C11 | C12 | 175.1° | 180.0° |
| C10 | C9 | H15 | H16 | 120.0° | 120.0° |
| C9 | C10 | C11 | H18 | 64.5° | 60.0° |
| C9 | C10 | C11 | H19 | 54.7° | 60.0° |
| C9 | C10 | C15 | H26 | 55.4° | 60.0° |
| C9 | C10 | C15 | H27 | 63.9° | 60.0° |
| C15 | C10 | C11 | H17 | 118.6° | 119.9° |
| C10 | C15 | C14 | H26 | 120.4° | 120.0° |
| C10 | C15 | C14 | H27 | 120.4° | 120.0° |
| C15 | C10 | C11 | C12 | 51.0° | 60.0° |
| C10 | C15 | C14 | C13 | 55.3° | 60.0° |
| C15 | C10 | C9 | H15 | 178.6° | 65.0° |
| C15 | C10 | C9 | H16 | 61.4° | 55.0° |
| C15 | C10 | C11 | H18 | 171.4° | 180.0° |
| C15 | C10 | C11 | H19 | 69.4° | 60.0° |
| C10 | C15 | C14 | H24 | 175.5° | 60.0° |
| C10 | C15 | C14 | H25 | 64.8° | 180.0° |
| C10 | C15 | H26 | H27 | 118.8° | 120.0° |
| C11 | C10 | C15 | C14 | 52.3° | 60.0° |
| C10 | C11 | C12 | H18 | 120.4° | 120.0° |
| C10 | C11 | C12 | H19 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 53.4° | 60.0° |
| C11 | C10 | C9 | H15 | 56.6° | 55.0° |
| C11 | C10 | C9 | H16 | 63.4° | 175.0° |
| C10 | C11 | H18 | H19 | 118.9° | 120.0° |
| C10 | C11 | C12 | H20 | 66.9° | 60.0° |
| C10 | C11 | C12 | H21 | 173.7° | 180.0° |
| C11 | C10 | C15 | H26 | 68.0° | 60.0° |
| C11 | C10 | C15 | H27 | 172.7° | 180.0° |
| C15 | C14 | C13 | H24 | 120.2° | 120.1° |
| C15 | C14 | C13 | H25 | 120.2° | 119.9° |
| C15 | C14 | C13 | C12 | 57.5° | 60.0° |
| C14 | C15 | C10 | H17 | 66.3° | 60.0° |
| C15 | C14 | C13 | H22 | 62.8° | 180.0° |
| C15 | C14 | C13 | H23 | 177.7° | 60.0° |
| C15 | C14 | H24 | H25 | 119.5° | 120.0° |
| C14 | C15 | H26 | H27 | 118.8° | 120.0° |
| C11 | C12 | C13 | C14 | 56.9° | 60.0° |
| C11 | C12 | C13 | H20 | 120.3° | 120.0° |
| C11 | C12 | C13 | H21 | 120.4° | 119.9° |
| C12 | C11 | C10 | H17 | 67.6° | 60.0° |
| C12 | C11 | H18 | H19 | 119.0° | 120.0° |
| C11 | C12 | H20 | H21 | 119.0° | 120.0° |
| C11 | C12 | C13 | H22 | 63.3° | 180.0° |
| C11 | C12 | C13 | H23 | 177.2° | 60.0° |
| C14 | C13 | C12 | H22 | 120.2° | 119.9° |
| C14 | C13 | C12 | H23 | 120.2° | 120.0° |
| C14 | C13 | C12 | H20 | 63.4° | 60.0° |
| C14 | C13 | C12 | H21 | 177.3° | 180.0° |
| C14 | C13 | H22 | H23 | 119.3° | 120.0° |
| C13 | C14 | H24 | H25 | 119.5° | 120.0° |
| C13 | C14 | C15 | H26 | 65.0° | 59.9° |
| C13 | C14 | C15 | H27 | 175.7° | 180.0° |
| C13 | C12 | C11 | H18 | 173.7° | 180.0° |
| C13 | C12 | C11 | H19 | 67.0° | 60.0° |
| C13 | C12 | H20 | H21 | 119.0° | 120.0° |
| C12 | C13 | H22 | H23 | 119.3° | 120.1° |
| C12 | C13 | C14 | H24 | 177.6° | 60.0° |
| C12 | C13 | C14 | H25 | 62.7° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | N1 | C3 | H5 | 172.0° | 144.9° |
| H5 | C3 | C4 | H6 | 177.4° | 177.1° |
| H5 | C3 | C8 | H14 | 178.2° | 177.7° |
| H6 | C4 | O2 | H7 | 61.9° | 59.8° |
| H6 | C4 | C5 | H8 | 179.4° | 177.1° |
| H8 | C5 | O3 | H9 | 59.8° | 59.8° |
| H8 | C5 | C6 | H10 | 178.8° | 177.7° |
| H10 | C6 | C7 | H11 | 62.3° | 65.0° |
| H10 | C6 | C7 | H12 | 178.3° | 175.0° |
| H11 | C7 | O4 | H13 | 59.7° | 60.0° |
| H12 | C7 | O4 | H13 | 59.7° | 60.0° |
| H15 | C9 | C10 | H17 | 60.6° | 175.0° |
| H16 | C9 | C10 | H17 | 179.4° | 65.0° |
| H17 | C10 | C11 | H18 | 52.8° | 60.0° |
| H17 | C10 | C11 | H19 | 172.0° | 180.0° |
| H17 | C10 | C15 | H26 | 173.4° | 180.0° |
| H17 | C10 | C15 | H27 | 54.1° | 60.0° |
| H18 | C11 | C12 | H20 | 53.4° | 60.0° |
| H18 | C11 | C12 | H21 | 65.9° | 60.1° |
| H19 | C11 | C12 | H20 | 172.7° | 179.9° |
| H19 | C11 | C12 | H21 | 53.4° | 60.0° |
| H20 | C12 | C13 | H22 | 176.4° | 60.0° |
| H20 | C12 | C13 | H23 | 56.8° | 180.0° |
| H21 | C12 | C13 | H22 | 57.1° | 60.1° |
| H21 | C12 | C13 | H23 | 62.5° | 60.0° |
| H22 | C13 | C14 | H24 | 57.4° | 59.9° |
| H22 | C13 | C14 | H25 | 177.1° | 60.1° |
| H23 | C13 | C14 | H24 | 62.1° | 180.0° |
| H23 | C13 | C14 | H25 | 57.5° | 60.0° |
| H24 | C14 | C15 | H26 | 55.1° | 180.0° |
| H24 | C14 | C15 | H27 | 64.1° | 60.0° |
| H25 | C14 | C15 | H26 | 174.8° | 60.0° |
| H25 | C14 | C15 | H27 | 55.6° | 60.0° |
