ZIA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C5 | sing | 1.43Å | 1.43Å | |
| O2 | C4 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | O4 | sing | 1.43Å | 1.42Å | |
| C6 | O5 | sing | 1.43Å | 1.44Å | |
| C3 | N1 | sing | 1.46Å | 1.46Å | |
| C3 | C8 | sing | 1.53Å | 1.55Å | |
| O5 | C8 | sing | 1.43Å | 1.43Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| C8 | O6 | sing | 1.43Å | 1.41Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| O6 | C9 | sing | 1.43Å | 1.45Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| N2 | C13 | sing | 1.34Å | 1.34Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.55Å | 1.53Å | |
| C13 | O7 | doub | 1.21Å | 1.24Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| O4 | H19 | sing | 0.97Å | 0.95Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C5 | C4 | 112.6° | 109.5° |
| O3 | C5 | C6 | 106.2° | 109.5° |
| O3 | C5 | H7 | 110.1° | 109.6° |
| C5 | O3 | H16 | 109.5° | 114.0° |
| O2 | C4 | C5 | 112.6° | 109.6° |
| O2 | C4 | C3 | 112.8° | 109.5° |
| O2 | C4 | H4 | 107.7° | 109.6° |
| C4 | O2 | H15 | 109.5° | 114.0° |
| C4 | C5 | C6 | 110.5° | 109.1° |
| C5 | C4 | C3 | 110.6° | 109.0° |
| C5 | C4 | H4 | 106.3° | 109.6° |
| C4 | C5 | H7 | 108.6° | 109.5° |
| C5 | C6 | C7 | 113.8° | 109.5° |
| C5 | C6 | O5 | 111.1° | 109.4° |
| C5 | C6 | H6 | 108.2° | 109.5° |
| C6 | C5 | H7 | 108.7° | 109.5° |
| C4 | C3 | N1 | 110.9° | 109.5° |
| C4 | C3 | C8 | 110.0° | 109.2° |
| C3 | C4 | H4 | 106.4° | 109.5° |
| C4 | C3 | H14 | 106.9° | 109.5° |
| C6 | C7 | O4 | 110.4° | 109.5° |
| C7 | C6 | O5 | 105.7° | 109.5° |
| C7 | C6 | H6 | 108.5° | 109.4° |
| C6 | C7 | H17 | 109.3° | 109.4° |
| C6 | C7 | H18 | 109.3° | 109.5° |
| O4 | C7 | H17 | 109.2° | 109.5° |
| O4 | C7 | H18 | 109.2° | 109.5° |
| C7 | O4 | H19 | 109.5° | 114.0° |
| C6 | O5 | C8 | 113.7° | 114.1° |
| O5 | C6 | H6 | 109.4° | 109.5° |
| N1 | C3 | C8 | 114.1° | 109.5° |
| C3 | N1 | C2 | 125.3° | 120.0° |
| C3 | N1 | H5 | 117.4° | 120.1° |
| N1 | C3 | H14 | 107.9° | 109.5° |
| C3 | C8 | O5 | 112.0° | 109.4° |
| C3 | C8 | O6 | 111.2° | 109.5° |
| C3 | C8 | H8 | 108.3° | 109.5° |
| C8 | C3 | H14 | 106.8° | 109.6° |
| O5 | C8 | O6 | 104.9° | 109.5° |
| O5 | C8 | H8 | 110.1° | 109.5° |
| N1 | C2 | O1 | 120.8° | 120.0° |
| N1 | C2 | C1 | 117.7° | 120.0° |
| C2 | N1 | H5 | 117.3° | 120.0° |
| C8 | O6 | C9 | 115.3° | 114.0° |
| O6 | C8 | H8 | 110.3° | 109.4° |
| O1 | C2 | C1 | 121.5° | 120.0° |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| O6 | C9 | C10 | 108.8° | 109.5° |
| O6 | C9 | H2 | 109.7° | 109.5° |
| O6 | C9 | H3 | 109.6° | 109.5° |
| C9 | C10 | N2 | 112.0° | 110.3° |
| C9 | C10 | C11 | 113.8° | 110.3° |
| C9 | C10 | H1 | 109.0° | 110.2° |
| C10 | C9 | H2 | 109.6° | 109.5° |
| C10 | C9 | H3 | 109.7° | 109.5° |
| C10 | N2 | C13 | 113.9° | 111.3° |
| N2 | C10 | C11 | 103.4° | 105.4° |
| N2 | C10 | H1 | 109.7° | 110.3° |
| C10 | N2 | H22 | 123.1° | 124.3° |
| N2 | C13 | C12 | 107.5° | 110.1° |
| N2 | C13 | O7 | 125.7° | 124.9° |
| C13 | N2 | H22 | 123.0° | 124.4° |
| C10 | C11 | C12 | 104.5° | 101.8° |
| C11 | C10 | H1 | 108.8° | 110.3° |
| C10 | C11 | H9 | 110.7° | 111.0° |
| C10 | C11 | H10 | 110.7° | 110.9° |
| C13 | C12 | C11 | 103.5° | 104.2° |
| C12 | C13 | O7 | 126.8° | 125.0° |
| C13 | C12 | H20 | 111.0° | 110.5° |
| C13 | C12 | H21 | 111.0° | 110.5° |
| C12 | C11 | H9 | 110.7° | 111.0° |
| C12 | C11 | H10 | 110.7° | 111.0° |
| C11 | C12 | H20 | 110.9° | 110.5° |
| C11 | C12 | H21 | 110.9° | 110.5° |
| H2 | C9 | H3 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 110.8° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H17 | C7 | H18 | 109.4° | 109.4° |
| H20 | C12 | H21 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C5 | C4 | O2 | 61.4° | 63.2° |
| O3 | C5 | C4 | C6 | 118.7° | 119.9° |
| O3 | C5 | C4 | H7 | 122.2° | 120.2° |
| O3 | C5 | C6 | H7 | 118.5° | 120.2° |
| O3 | C5 | C4 | C3 | 171.3° | 176.9° |
| O3 | C5 | C6 | C7 | 63.3° | 62.5° |
| O3 | C5 | C6 | O5 | 177.5° | 177.6° |
| O3 | C5 | C4 | H4 | 56.2° | 57.1° |
| O3 | C5 | C6 | H6 | 57.4° | 57.5° |
| O2 | C4 | C5 | C3 | 127.3° | 119.9° |
| O2 | C4 | C5 | H4 | 117.6° | 120.3° |
| O2 | C4 | C5 | C6 | 179.9° | 176.9° |
| O2 | C4 | C3 | H4 | 117.8° | 120.1° |
| O2 | C4 | C3 | N1 | 54.2° | 63.1° |
| O2 | C4 | C3 | C8 | 178.7° | 177.0° |
| O2 | C4 | C5 | H7 | 60.8° | 57.0° |
| O2 | C4 | C3 | H14 | 63.2° | 57.0° |
| C4 | C5 | C6 | H7 | 119.0° | 119.9° |
| C5 | C4 | C3 | H4 | 115.1° | 119.9° |
| C4 | C5 | C6 | C7 | 174.2° | 177.6° |
| C4 | C5 | C6 | O5 | 55.0° | 57.6° |
| C5 | C4 | C3 | N1 | 178.7° | 176.9° |
| C5 | C4 | C3 | C8 | 51.6° | 57.0° |
| C4 | C5 | C6 | H6 | 65.1° | 62.4° |
| C5 | C4 | C3 | H14 | 63.9° | 63.0° |
| C5 | C4 | O2 | H15 | 180.0° | 60.4° |
| C4 | C5 | O3 | H16 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 52.7° | 57.0° |
| C5 | C6 | C7 | O5 | 122.2° | 119.9° |
| C5 | C6 | C7 | H6 | 120.5° | 120.0° |
| C5 | C6 | C7 | O4 | 174.8° | 175.1° |
| C5 | C6 | O5 | H6 | 119.4° | 120.1° |
| C5 | C6 | O5 | C8 | 58.9° | 61.2° |
| C6 | C5 | C4 | H4 | 62.4° | 62.8° |
| C6 | C5 | O3 | H16 | 58.9° | 60.3° |
| C5 | C6 | C7 | H17 | 54.6° | 55.0° |
| C5 | C6 | C7 | H18 | 65.1° | 64.9° |
| C4 | C3 | N1 | C8 | 124.8° | 119.7° |
| C4 | C3 | N1 | H14 | 116.8° | 120.1° |
| C4 | C3 | C8 | H14 | 115.7° | 119.9° |
| C4 | C3 | C8 | O5 | 54.2° | 57.6° |
| C4 | C3 | N1 | C2 | 125.3° | 155.0° |
| C4 | C3 | C8 | O6 | 171.2° | 177.6° |
| C4 | C3 | N1 | H5 | 54.7° | 25.1° |
| C3 | C4 | C5 | H7 | 66.5° | 62.9° |
| C4 | C3 | C8 | H8 | 67.4° | 62.4° |
| C3 | C4 | O2 | H15 | 53.9° | 180.0° |
| C6 | C7 | O4 | H17 | 120.2° | 120.0° |
| C6 | C7 | O4 | H18 | 120.2° | 120.0° |
| C7 | C6 | O5 | H6 | 116.7° | 120.0° |
| C7 | C6 | O5 | C8 | 177.2° | 178.9° |
| C7 | C6 | C5 | H7 | 55.2° | 57.7° |
| C6 | C7 | H17 | H18 | 119.6° | 120.0° |
| C6 | C7 | O4 | H19 | 180.0° | 180.0° |
| O4 | C7 | C6 | O5 | 63.0° | 65.0° |
| O4 | C7 | C6 | H6 | 54.3° | 55.0° |
| O4 | C7 | H17 | H18 | 119.5° | 120.0° |
| C6 | O5 | C8 | C3 | 58.6° | 61.2° |
| C6 | O5 | C8 | O6 | 179.3° | 178.8° |
| O5 | C6 | C5 | H7 | 64.0° | 62.3° |
| C6 | O5 | C8 | H8 | 62.0° | 58.8° |
| O5 | C6 | C7 | H17 | 176.8° | 174.9° |
| O5 | C6 | C7 | H18 | 57.1° | 55.0° |
| N1 | C3 | C8 | H14 | 119.1° | 120.2° |
| N1 | C3 | C8 | O5 | 179.5° | 177.5° |
| C3 | N1 | C2 | H5 | 180.0° | 179.9° |
| N1 | C3 | C8 | O6 | 63.6° | 62.5° |
| C3 | N1 | C2 | O1 | 10.7° | 0.0° |
| C3 | N1 | C2 | C1 | 170.5° | 180.0° |
| N1 | C3 | C4 | H4 | 63.6° | 57.0° |
| N1 | C3 | C8 | H8 | 57.9° | 57.5° |
| C3 | C8 | O5 | O6 | 120.7° | 120.0° |
| C3 | C8 | O5 | H8 | 120.6° | 120.0° |
| C8 | C3 | N1 | C2 | 109.9° | 85.3° |
| C3 | C8 | O6 | H8 | 120.2° | 120.0° |
| C3 | C8 | O6 | C9 | 169.3° | 175.0° |
| C8 | C3 | C4 | H4 | 63.5° | 62.9° |
| C8 | C3 | N1 | H5 | 70.1° | 94.6° |
| O5 | C8 | O6 | H8 | 118.6° | 120.0° |
| O5 | C8 | O6 | C9 | 69.5° | 65.0° |
| C8 | O5 | C6 | H6 | 60.5° | 58.9° |
| O5 | C8 | C3 | H14 | 61.4° | 62.3° |
| N1 | C2 | O1 | C1 | 178.8° | 180.0° |
| N1 | C2 | C1 | H11 | 178.8° | 90.0° |
| N1 | C2 | C1 | H12 | 58.8° | 30.0° |
| N1 | C2 | C1 | H13 | 61.2° | 150.0° |
| C2 | N1 | C3 | H14 | 8.6° | 34.9° |
| C8 | O6 | C9 | C10 | 139.4° | 180.0° |
| C8 | O6 | C9 | H2 | 19.5° | 60.0° |
| C8 | O6 | C9 | H3 | 100.7° | 60.0° |
| O6 | C8 | C3 | H14 | 55.5° | 57.7° |
| O1 | C2 | N1 | H5 | 169.3° | 179.9° |
| O1 | C2 | C1 | H11 | 0.0° | 90.0° |
| O1 | C2 | C1 | H12 | 120.0° | 150.0° |
| O1 | C2 | C1 | H13 | 120.0° | 30.0° |
| C1 | C2 | N1 | H5 | 9.5° | 0.1° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| O6 | C9 | C10 | H2 | 119.9° | 120.1° |
| O6 | C9 | C10 | H3 | 119.9° | 120.0° |
| O6 | C9 | C10 | N2 | 85.0° | 69.0° |
| O6 | C9 | C10 | C11 | 31.8° | 175.0° |
| O6 | C9 | C10 | H1 | 153.4° | 53.0° |
| O6 | C9 | H2 | H3 | 120.3° | 120.0° |
| C9 | O6 | C8 | H8 | 49.1° | 55.0° |
| C9 | C10 | N2 | C11 | 123.0° | 119.0° |
| C9 | C10 | N2 | H1 | 121.1° | 121.9° |
| C9 | C10 | N2 | C13 | 123.2° | 102.0° |
| C9 | C10 | C11 | H1 | 121.7° | 121.9° |
| C9 | C10 | C11 | C12 | 105.7° | 93.6° |
| C10 | C9 | H2 | H3 | 120.3° | 120.0° |
| C9 | C10 | C11 | H9 | 135.0° | 148.2° |
| C9 | C10 | C11 | H10 | 13.5° | 24.5° |
| C9 | C10 | N2 | H22 | 56.9° | 78.0° |
| C10 | N2 | C13 | H22 | 180.0° | 180.0° |
| N2 | C10 | C11 | H1 | 116.6° | 119.0° |
| C10 | N2 | C13 | C12 | 16.8° | 0.4° |
| N2 | C10 | C11 | C12 | 16.0° | 25.4° |
| C10 | N2 | C13 | O7 | 162.2° | 179.6° |
| N2 | C10 | C9 | H2 | 34.9° | 51.1° |
| N2 | C10 | C9 | H3 | 155.1° | 171.1° |
| N2 | C10 | C11 | H9 | 103.2° | 92.7° |
| N2 | C10 | C11 | H10 | 135.2° | 143.6° |
| C13 | N2 | C10 | C11 | 0.2° | 17.0° |
| N2 | C13 | C12 | O7 | 179.0° | 180.0° |
| N2 | C13 | C12 | C11 | 26.1° | 16.3° |
| C13 | N2 | C10 | H1 | 115.7° | 136.0° |
| N2 | C13 | C12 | H20 | 93.0° | 134.9° |
| N2 | C13 | C12 | H21 | 145.1° | 102.4° |
| C10 | C11 | C12 | C13 | 25.1° | 24.8° |
| C10 | C11 | C12 | H9 | 119.2° | 118.2° |
| C10 | C11 | C12 | H10 | 119.2° | 118.1° |
| C11 | C10 | C9 | H2 | 151.7° | 65.0° |
| C11 | C10 | C9 | H3 | 88.0° | 55.0° |
| C10 | C11 | H9 | H10 | 122.3° | 123.8° |
| C10 | C11 | C12 | H20 | 93.9° | 143.5° |
| C10 | C11 | C12 | H21 | 144.2° | 93.8° |
| C11 | C10 | N2 | H22 | 179.8° | 163.0° |
| C13 | C12 | C11 | H20 | 119.0° | 118.6° |
| C13 | C12 | C11 | H21 | 119.0° | 118.6° |
| C13 | C12 | C11 | H9 | 94.1° | 93.4° |
| C13 | C12 | C11 | H10 | 144.3° | 142.9° |
| C13 | C12 | H20 | H21 | 122.8° | 122.6° |
| C12 | C13 | N2 | H22 | 163.2° | 179.6° |
| C11 | C12 | C13 | O7 | 152.9° | 163.7° |
| C12 | C11 | C10 | H1 | 132.6° | 144.5° |
| C12 | C11 | H9 | H10 | 122.3° | 123.8° |
| C11 | C12 | H20 | H21 | 122.8° | 122.7° |
| O7 | C13 | C12 | H20 | 88.1° | 45.1° |
| O7 | C13 | C12 | H21 | 33.9° | 77.6° |
| O7 | C13 | N2 | H22 | 17.8° | 0.4° |
| H1 | C10 | C9 | H2 | 86.7° | 173.1° |
| H1 | C10 | C9 | H3 | 33.5° | 66.9° |
| H1 | C10 | C11 | H9 | 13.4° | 26.3° |
| H1 | C10 | C11 | H10 | 108.2° | 97.4° |
| H1 | C10 | N2 | H22 | 64.3° | 44.0° |
| H4 | C4 | C5 | H7 | 178.4° | 177.3° |
| H4 | C4 | C3 | H14 | 179.0° | 177.1° |
| H4 | C4 | O2 | H15 | 63.2° | 59.9° |
| H5 | N1 | C3 | H14 | 171.5° | 145.2° |
| H6 | C6 | C5 | H7 | 175.8° | 177.7° |
| H6 | C6 | C7 | H17 | 65.9° | 65.0° |
| H6 | C6 | C7 | H18 | 174.4° | 175.1° |
| H7 | C5 | O3 | H16 | 58.6° | 59.8° |
| H8 | C8 | C3 | H14 | 176.9° | 177.6° |
| H9 | C11 | C12 | H20 | 146.9° | 25.3° |
| H9 | C11 | C12 | H21 | 24.9° | 148.0° |
| H10 | C11 | C12 | H20 | 25.3° | 98.5° |
| H10 | C11 | C12 | H21 | 96.6° | 24.3° |
| H11 | C1 | H12 | H13 | 120.0° | 120.1° |
| H17 | C7 | O4 | H19 | 59.8° | 60.0° |
| H18 | C7 | O4 | H19 | 59.8° | 60.0° |
