ZI2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O3 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C5 | N2 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O4 | C6 | sing | 1.43Å | 1.42Å | |
| O4 | C8 | sing | 1.43Å | 1.43Å | |
| O5 | C8 | sing | 1.43Å | 1.41Å | |
| O5 | C9 | sing | 1.43Å | 1.44Å | |
| O2 | C4 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C8 | sing | 1.53Å | 1.55Å | |
| C3 | N1 | sing | 1.47Å | 1.45Å | |
| C2 | N1 | sing | 1.35Å | 1.34Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C11 | O6 | sing | 1.43Å | 1.42Å | |
| C10 | O7 | sing | 1.43Å | 1.43Å | |
| O6 | C12 | sing | 1.43Å | 1.43Å | |
| O7 | C13 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| 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 | |
| N2 | H9 | sing | 1.01Å | 1.00Å | |
| N2 | H10 | sing | 1.01Å | 1.00Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| O3 | H15 | sing | 0.97Å | 0.95Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C7 | C6 | 109.0° | 109.5° |
| O3 | C7 | H13 | 109.6° | 109.5° |
| O3 | C7 | H14 | 109.6° | 109.5° |
| C7 | O3 | H15 | 109.5° | 113.9° |
| C7 | C6 | C5 | 113.3° | 109.5° |
| C7 | C6 | O4 | 105.6° | 109.5° |
| C7 | C6 | H12 | 109.7° | 109.5° |
| C6 | C7 | H13 | 109.6° | 109.4° |
| C6 | C7 | H14 | 109.6° | 109.4° |
| O1 | C2 | N1 | 120.9° | 120.0° |
| O1 | C2 | C1 | 121.0° | 120.0° |
| N2 | C5 | C6 | 110.9° | 109.6° |
| N2 | C5 | C4 | 112.8° | 109.5° |
| N2 | C5 | H8 | 108.3° | 109.5° |
| C5 | N2 | H9 | 109.5° | 111.0° |
| C5 | N2 | H10 | 109.4° | 111.0° |
| C6 | C5 | C4 | 109.7° | 109.2° |
| C5 | C6 | O4 | 107.9° | 109.4° |
| C6 | C5 | H8 | 107.5° | 109.6° |
| C5 | C6 | H12 | 109.4° | 109.5° |
| C5 | C4 | O2 | 110.2° | 109.6° |
| C5 | C4 | C3 | 109.5° | 109.1° |
| C5 | C4 | H6 | 107.5° | 109.6° |
| C4 | C5 | H8 | 107.5° | 109.5° |
| C6 | O4 | C8 | 116.2° | 114.1° |
| O4 | C6 | H12 | 110.9° | 109.4° |
| O4 | C8 | O5 | 104.6° | 109.5° |
| O4 | C8 | C3 | 112.3° | 109.4° |
| O4 | C8 | H16 | 110.0° | 109.5° |
| C8 | O5 | C9 | 115.2° | 114.0° |
| O5 | C8 | C3 | 111.4° | 109.4° |
| O5 | C8 | H16 | 110.3° | 109.5° |
| O5 | C9 | C10 | 106.8° | 109.4° |
| O5 | C9 | H17 | 110.1° | 109.5° |
| O5 | C9 | H18 | 110.1° | 109.5° |
| O2 | C4 | C3 | 113.1° | 109.5° |
| O2 | C4 | H6 | 108.9° | 109.5° |
| C4 | O2 | H7 | 109.5° | 114.0° |
| C4 | C3 | C8 | 109.2° | 109.1° |
| C4 | C3 | N1 | 108.6° | 109.5° |
| C4 | C3 | H5 | 107.5° | 109.5° |
| C3 | C4 | H6 | 107.6° | 109.6° |
| C8 | C3 | N1 | 115.5° | 109.5° |
| C8 | C3 | H5 | 107.3° | 109.6° |
| C3 | C8 | H16 | 108.3° | 109.5° |
| C3 | N1 | C2 | 125.7° | 120.0° |
| C3 | N1 | H4 | 117.1° | 120.0° |
| N1 | C3 | H5 | 108.4° | 109.6° |
| N1 | C2 | C1 | 118.1° | 120.1° |
| C2 | N1 | H4 | 117.1° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C9 | C10 | C11 | 115.0° | 109.5° |
| C9 | C10 | O7 | 108.0° | 109.5° |
| C10 | C9 | H17 | 110.1° | 109.5° |
| C10 | C9 | H18 | 110.1° | 109.4° |
| C9 | C10 | H19 | 106.4° | 109.5° |
| C10 | C11 | O6 | 110.9° | 109.1° |
| C11 | C10 | O7 | 113.0° | 109.2° |
| C11 | C10 | H19 | 106.5° | 109.6° |
| C10 | C11 | H20 | 109.1° | 109.5° |
| C10 | C11 | H21 | 109.1° | 109.5° |
| C11 | O6 | C12 | 110.1° | 113.6° |
| O6 | C11 | H20 | 109.1° | 109.6° |
| O6 | C11 | H21 | 109.1° | 109.5° |
| C10 | O7 | C13 | 112.6° | 113.5° |
| O7 | C10 | H19 | 107.4° | 109.6° |
| O6 | C12 | C13 | 112.0° | 109.1° |
| O6 | C12 | H22 | 108.9° | 109.5° |
| O6 | C12 | H23 | 108.8° | 109.5° |
| O7 | C13 | C12 | 112.6° | 109.2° |
| O7 | C13 | H24 | 108.7° | 109.5° |
| O7 | C13 | H25 | 108.7° | 109.6° |
| C13 | C12 | H22 | 108.8° | 109.5° |
| C13 | C12 | H23 | 108.9° | 109.5° |
| C12 | C13 | H24 | 108.7° | 109.5° |
| C12 | C13 | H25 | 108.7° | 109.6° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H9 | N2 | H10 | 109.4° | 111.0° |
| H13 | C7 | H14 | 109.4° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.6° |
| H22 | C12 | H23 | 109.5° | 109.6° |
| H24 | C13 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C7 | C6 | H13 | 119.9° | 120.1° |
| O3 | C7 | C6 | H14 | 119.9° | 120.0° |
| O3 | C7 | C6 | C5 | 178.2° | 175.0° |
| O3 | C7 | C6 | O4 | 60.3° | 65.0° |
| O3 | C7 | C6 | H12 | 59.3° | 55.0° |
| O3 | C7 | H13 | H14 | 120.2° | 120.1° |
| C7 | C6 | C5 | N2 | 58.4° | 62.5° |
| C7 | C6 | C5 | O4 | 116.6° | 120.0° |
| C7 | C6 | C5 | H12 | 122.7° | 120.1° |
| C7 | C6 | C5 | C4 | 176.3° | 177.6° |
| C7 | C6 | O4 | H12 | 118.8° | 120.0° |
| C7 | C6 | O4 | C8 | 179.3° | 178.8° |
| C7 | C6 | C5 | H8 | 59.8° | 57.7° |
| C6 | C7 | H13 | H14 | 120.2° | 119.9° |
| C6 | C7 | O3 | H15 | 180.0° | 180.0° |
| O1 | C2 | N1 | C3 | 5.3° | 0.0° |
| O1 | C2 | N1 | C1 | 178.3° | 180.0° |
| O1 | C2 | C1 | H1 | 0.0° | 179.9° |
| O1 | C2 | C1 | H2 | 120.0° | 60.1° |
| O1 | C2 | C1 | H3 | 120.0° | 60.0° |
| O1 | C2 | N1 | H4 | 174.8° | 180.0° |
| N2 | C5 | C6 | C4 | 125.2° | 119.9° |
| N2 | C5 | C6 | H8 | 118.2° | 120.2° |
| N2 | C5 | C4 | H8 | 119.3° | 120.1° |
| N2 | C5 | C6 | O4 | 175.0° | 177.5° |
| N2 | C5 | C4 | O2 | 51.4° | 63.2° |
| N2 | C5 | C4 | C3 | 176.4° | 176.9° |
| N2 | C5 | C4 | H6 | 67.1° | 57.0° |
| C5 | N2 | H9 | H10 | 120.0° | 123.9° |
| N2 | C5 | C6 | H12 | 64.3° | 57.6° |
| C6 | C5 | C4 | H8 | 116.6° | 119.9° |
| C5 | C6 | O4 | H12 | 119.8° | 119.9° |
| C5 | C6 | O4 | C8 | 59.2° | 61.2° |
| C6 | C5 | C4 | O2 | 175.5° | 176.9° |
| C6 | C5 | C4 | C3 | 59.5° | 57.0° |
| C6 | C5 | C4 | H6 | 57.0° | 63.0° |
| C6 | C5 | N2 | H9 | 180.0° | 59.9° |
| C6 | C5 | N2 | H10 | 60.0° | 64.0° |
| C5 | C6 | C7 | H13 | 58.3° | 54.9° |
| C5 | C6 | C7 | H14 | 61.9° | 65.0° |
| C4 | C5 | C6 | O4 | 59.8° | 57.6° |
| C5 | C4 | O2 | C3 | 122.9° | 119.6° |
| C5 | C4 | O2 | H6 | 117.7° | 120.2° |
| C5 | C4 | C3 | H6 | 116.5° | 119.9° |
| C5 | C4 | C3 | C8 | 53.6° | 57.0° |
| C5 | C4 | C3 | N1 | 179.6° | 176.9° |
| C5 | C4 | C3 | H5 | 62.5° | 62.9° |
| C5 | C4 | O2 | H7 | 180.0° | 60.4° |
| C4 | C5 | N2 | H9 | 56.6° | 179.6° |
| C4 | C5 | N2 | H10 | 176.5° | 55.7° |
| C4 | C5 | C6 | H12 | 60.9° | 62.4° |
| C6 | O4 | C8 | O5 | 176.8° | 178.9° |
| C6 | O4 | C8 | C3 | 55.8° | 61.2° |
| O4 | C6 | C5 | H8 | 56.8° | 62.3° |
| O4 | C6 | C7 | H13 | 59.6° | 174.9° |
| O4 | C6 | C7 | H14 | 179.8° | 54.9° |
| C6 | O4 | C8 | H16 | 64.8° | 58.8° |
| O4 | C8 | O5 | C3 | 121.5° | 119.9° |
| O4 | C8 | O5 | H16 | 118.2° | 120.1° |
| O4 | C8 | O5 | C9 | 97.2° | 65.1° |
| O4 | C8 | C3 | C4 | 50.8° | 57.6° |
| O4 | C8 | C3 | H16 | 121.6° | 120.0° |
| O4 | C8 | C3 | N1 | 173.6° | 177.5° |
| O4 | C8 | C3 | H5 | 65.4° | 62.3° |
| C8 | O4 | C6 | H12 | 60.5° | 58.8° |
| O5 | C8 | C3 | C4 | 167.8° | 177.6° |
| O5 | C8 | C3 | H16 | 121.4° | 120.0° |
| O5 | C8 | C3 | N1 | 69.4° | 62.5° |
| C8 | O5 | C9 | C10 | 90.7° | 180.0° |
| O5 | C8 | C3 | H5 | 51.6° | 57.7° |
| C8 | O5 | C9 | H17 | 28.9° | 60.0° |
| C8 | O5 | C9 | H18 | 149.7° | 60.0° |
| C9 | O5 | C8 | C3 | 141.3° | 175.1° |
| O5 | C9 | C10 | H17 | 119.6° | 120.0° |
| O5 | C9 | C10 | H18 | 119.6° | 120.0° |
| O5 | C9 | C10 | C11 | 63.4° | 175.4° |
| O5 | C9 | C10 | O7 | 169.3° | 65.0° |
| C9 | O5 | C8 | H16 | 21.0° | 55.0° |
| O5 | C9 | H17 | H18 | 121.2° | 120.0° |
| O5 | C9 | C10 | H19 | 54.3° | 55.2° |
| O2 | C4 | C3 | H6 | 120.2° | 120.1° |
| O2 | C4 | C3 | C8 | 176.9° | 177.0° |
| O2 | C4 | C3 | N1 | 56.3° | 63.2° |
| O2 | C4 | C3 | H5 | 60.8° | 57.0° |
| O2 | C4 | C5 | H8 | 67.9° | 56.9° |
| C4 | C3 | C8 | N1 | 122.8° | 119.9° |
| C4 | C3 | C8 | H5 | 116.2° | 119.9° |
| C4 | C3 | N1 | H5 | 116.5° | 120.1° |
| C4 | C3 | N1 | C2 | 119.2° | 155.0° |
| C4 | C3 | N1 | H4 | 60.8° | 25.0° |
| C3 | C4 | O2 | H7 | 57.1° | 180.0° |
| C3 | C4 | C5 | H8 | 57.1° | 62.9° |
| C4 | C3 | C8 | H16 | 70.8° | 62.4° |
| C8 | C3 | N1 | H5 | 120.4° | 120.2° |
| C8 | C3 | N1 | C2 | 117.7° | 85.3° |
| C8 | C3 | N1 | H4 | 62.3° | 94.6° |
| C8 | C3 | C4 | H6 | 62.9° | 62.9° |
| C3 | N1 | C2 | H4 | 180.0° | 180.0° |
| C3 | N1 | C2 | C1 | 176.4° | 180.0° |
| N1 | C3 | C4 | H6 | 63.9° | 57.0° |
| N1 | C3 | C8 | H16 | 52.0° | 57.5° |
| N1 | C2 | C1 | H1 | 178.3° | 0.0° |
| N1 | C2 | C1 | H2 | 58.3° | 120.0° |
| N1 | C2 | C1 | H3 | 61.6° | 120.0° |
| C2 | N1 | C3 | H5 | 2.7° | 34.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | N1 | H4 | 3.6° | 0.0° |
| C9 | C10 | C11 | O7 | 124.7° | 119.9° |
| C9 | C10 | C11 | H19 | 117.6° | 120.1° |
| C9 | C10 | C11 | O6 | 179.6° | 175.2° |
| C9 | C10 | O7 | H19 | 114.4° | 120.1° |
| C9 | C10 | O7 | C13 | 177.9° | 177.8° |
| C10 | C9 | H17 | H18 | 121.3° | 120.0° |
| C9 | C10 | C11 | H20 | 59.4° | 55.3° |
| C9 | C10 | C11 | H21 | 60.1° | 64.9° |
| C10 | C11 | O6 | H20 | 120.2° | 119.9° |
| C10 | C11 | O6 | H21 | 120.2° | 119.8° |
| C11 | C10 | O7 | H19 | 117.2° | 120.0° |
| C10 | C11 | O6 | C12 | 58.1° | 58.0° |
| C11 | C10 | O7 | C13 | 49.5° | 58.0° |
| C11 | C10 | C9 | H17 | 177.1° | 64.7° |
| C11 | C10 | C9 | H18 | 56.2° | 55.4° |
| C10 | C11 | H20 | H21 | 119.3° | 120.1° |
| O6 | C11 | C10 | O7 | 54.9° | 55.4° |
| C11 | O6 | C12 | C13 | 57.2° | 58.0° |
| O6 | C11 | C10 | H19 | 62.7° | 64.7° |
| O6 | C11 | H20 | H21 | 119.3° | 120.2° |
| C11 | O6 | C12 | H22 | 63.2° | 61.9° |
| C11 | O6 | C12 | H23 | 177.6° | 177.9° |
| C10 | O7 | C13 | C12 | 47.8° | 58.0° |
| O7 | C10 | C9 | H17 | 49.8° | 55.0° |
| O7 | C10 | C9 | H18 | 71.1° | 175.0° |
| O7 | C10 | C11 | H20 | 65.3° | 64.6° |
| O7 | C10 | C11 | H21 | 175.2° | 175.2° |
| C10 | O7 | C13 | H24 | 72.6° | 177.9° |
| C10 | O7 | C13 | H25 | 168.3° | 62.0° |
| O6 | C12 | C13 | O7 | 52.2° | 55.4° |
| O6 | C12 | C13 | H22 | 120.4° | 119.9° |
| O6 | C12 | C13 | H23 | 120.4° | 119.8° |
| C12 | O6 | C11 | H20 | 62.0° | 61.9° |
| C12 | O6 | C11 | H21 | 178.4° | 177.8° |
| O6 | C12 | H22 | H23 | 118.9° | 120.1° |
| O6 | C12 | C13 | H24 | 68.2° | 175.2° |
| O6 | C12 | C13 | H25 | 172.7° | 64.6° |
| O7 | C13 | C12 | H24 | 120.5° | 119.8° |
| O7 | C13 | C12 | H25 | 120.5° | 120.0° |
| C13 | O7 | C10 | H19 | 67.7° | 62.0° |
| O7 | C13 | C12 | H22 | 68.1° | 64.5° |
| O7 | C13 | C12 | H23 | 172.6° | 175.2° |
| O7 | C13 | H24 | H25 | 118.5° | 120.2° |
| C13 | C12 | H22 | H23 | 118.9° | 120.2° |
| C12 | C13 | H24 | H25 | 118.6° | 120.2° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | N1 | C3 | H5 | 177.3° | 145.1° |
| H5 | C3 | C4 | H6 | 179.0° | 177.1° |
| H5 | C3 | C8 | H16 | 173.0° | 177.7° |
| H6 | C4 | O2 | H7 | 62.3° | 59.8° |
| H6 | C4 | C5 | H8 | 173.6° | 177.1° |
| H8 | C5 | N2 | H9 | 62.3° | 60.3° |
| H8 | C5 | N2 | H10 | 57.7° | 175.8° |
| H8 | C5 | C6 | H12 | 177.5° | 177.8° |
| H12 | C6 | C7 | H13 | 179.2° | 65.1° |
| H12 | C6 | C7 | H14 | 60.7° | 174.9° |
| H13 | C7 | O3 | H15 | 60.0° | 60.0° |
| H14 | C7 | O3 | H15 | 60.1° | 60.1° |
| H17 | C9 | C10 | H19 | 65.2° | 175.2° |
| H18 | C9 | C10 | H19 | 173.9° | 64.8° |
| H19 | C10 | C11 | H20 | 177.1° | 175.4° |
| H19 | C10 | C11 | H21 | 57.5° | 55.2° |
| H22 | C12 | C13 | H24 | 171.4° | 55.3° |
| H22 | C12 | C13 | H25 | 52.3° | 175.5° |
| H23 | C12 | C13 | H24 | 52.1° | 64.9° |
| H23 | C12 | C13 | H25 | 66.9° | 55.2° |
