ZG9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C2 | O1 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| O6 | C11 | doub | 1.21Å | 1.23Å | |
| C14 | O8 | sing | 1.43Å | 1.43Å | |
| C14 | C3 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| O2 | C3 | sing | 1.43Å | 1.43Å | |
| O2 | C4 | sing | 1.43Å | 1.42Å | |
| O7 | C13 | sing | 1.43Å | 1.43Å | |
| C10 | C13 | sing | 1.53Å | 1.53Å | |
| C10 | C4 | sing | 1.53Å | 1.55Å | |
| C10 | N1 | sing | 1.46Å | 1.46Å | |
| O3 | C4 | sing | 1.43Å | 1.39Å | |
| O3 | C5 | sing | 1.43Å | 1.45Å | |
| C11 | N1 | sing | 1.35Å | 1.35Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C7 | O4 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.53Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| O4 | C8 | sing | 1.43Å | 1.44Å | |
| C6 | O5 | sing | 1.43Å | 1.41Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| O5 | C9 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| 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 | |
| N1 | H18 | sing | 0.97Å | 1.00Å | |
| C12 | 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 | |
| O7 | H23 | sing | 0.97Å | 0.95Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| O8 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 114.9° | 114.0° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C2 | C3 | 110.2° | 109.5° |
| O1 | C2 | H4 | 109.3° | 109.5° |
| O1 | C2 | H5 | 109.3° | 109.4° |
| C2 | C3 | C14 | 113.5° | 109.5° |
| C2 | C3 | O2 | 105.2° | 109.4° |
| C3 | C2 | H4 | 109.3° | 109.5° |
| C3 | C2 | H5 | 109.3° | 109.4° |
| C2 | C3 | H6 | 109.3° | 109.5° |
| O6 | C11 | N1 | 121.2° | 120.0° |
| O6 | C11 | C12 | 121.1° | 120.0° |
| O8 | C14 | C3 | 106.8° | 109.5° |
| O8 | C14 | C13 | 110.6° | 109.6° |
| O8 | C14 | H24 | 110.4° | 109.5° |
| C14 | O8 | H25 | 109.5° | 114.0° |
| C3 | C14 | C13 | 111.3° | 109.1° |
| C14 | C3 | O2 | 109.6° | 109.4° |
| C14 | C3 | H6 | 108.9° | 109.5° |
| C3 | C14 | H24 | 109.0° | 109.5° |
| C14 | C13 | O7 | 112.5° | 109.6° |
| C14 | C13 | C10 | 110.7° | 109.0° |
| C14 | C13 | H22 | 106.8° | 109.5° |
| C13 | C14 | H24 | 108.9° | 109.6° |
| C3 | O2 | C4 | 112.8° | 114.0° |
| O2 | C3 | H6 | 110.3° | 109.5° |
| O2 | C4 | C10 | 111.4° | 109.4° |
| O2 | C4 | O3 | 102.9° | 109.4° |
| O2 | C4 | H7 | 111.0° | 109.5° |
| O7 | C13 | C10 | 111.5° | 109.5° |
| O7 | C13 | H22 | 108.1° | 109.5° |
| C13 | O7 | H23 | 109.5° | 114.0° |
| C13 | C10 | C4 | 108.3° | 109.1° |
| C13 | C10 | N1 | 110.4° | 109.5° |
| C13 | C10 | H17 | 107.3° | 109.5° |
| C10 | C13 | H22 | 106.9° | 109.6° |
| C4 | C10 | N1 | 115.4° | 109.5° |
| C10 | C4 | O3 | 110.8° | 109.5° |
| C10 | C4 | H7 | 109.2° | 109.5° |
| C4 | C10 | H17 | 107.1° | 109.6° |
| C10 | N1 | C11 | 125.6° | 120.0° |
| N1 | C10 | H17 | 108.1° | 109.6° |
| C10 | N1 | H18 | 117.2° | 120.0° |
| C4 | O3 | C5 | 116.8° | 114.0° |
| O3 | C4 | H7 | 111.5° | 109.4° |
| O3 | C5 | C6 | 104.5° | 109.5° |
| O3 | C5 | H8 | 110.7° | 109.4° |
| O3 | C5 | H9 | 110.7° | 109.5° |
| N1 | C11 | C12 | 117.5° | 120.0° |
| C11 | N1 | H18 | 117.2° | 120.0° |
| C11 | C12 | H19 | 109.5° | 109.5° |
| C11 | C12 | H20 | 109.4° | 109.5° |
| C11 | C12 | H21 | 109.5° | 109.5° |
| O4 | C7 | C6 | 108.3° | 109.2° |
| C7 | O4 | C8 | 111.3° | 113.6° |
| O4 | C7 | H11 | 109.7° | 109.5° |
| O4 | C7 | H12 | 109.7° | 109.6° |
| C7 | C6 | C5 | 121.5° | 109.5° |
| C7 | C6 | O5 | 109.8° | 109.1° |
| C7 | C6 | H10 | 104.8° | 109.6° |
| C6 | C7 | H11 | 109.8° | 109.5° |
| C6 | C7 | H12 | 109.8° | 109.5° |
| C5 | C6 | O5 | 109.3° | 109.5° |
| C6 | C5 | H8 | 110.7° | 109.5° |
| C6 | C5 | H9 | 110.7° | 109.5° |
| C5 | C6 | H10 | 104.5° | 109.6° |
| O4 | C8 | C9 | 112.5° | 109.2° |
| O4 | C8 | H13 | 108.7° | 109.5° |
| O4 | C8 | H14 | 108.7° | 109.5° |
| C6 | O5 | C9 | 109.7° | 113.6° |
| O5 | C6 | H10 | 105.5° | 109.5° |
| C8 | C9 | O5 | 111.0° | 109.1° |
| C9 | C8 | H13 | 108.7° | 109.6° |
| C9 | C8 | H14 | 108.7° | 109.5° |
| C8 | C9 | H15 | 109.1° | 109.5° |
| C8 | C9 | H16 | 109.1° | 109.6° |
| O5 | C9 | H15 | 109.1° | 109.5° |
| O5 | C9 | H16 | 109.1° | 109.6° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.4° |
| H11 | C7 | H12 | 109.5° | 109.6° |
| H13 | C8 | H14 | 109.5° | 109.6° |
| H15 | C9 | H16 | 109.5° | 109.6° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| H19 | C12 | H21 | 109.4° | 109.4° |
| H20 | C12 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 155.7° | 180.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | O1 | C2 | H4 | 35.6° | 60.0° |
| C1 | O1 | C2 | H5 | 84.2° | 60.0° |
| O1 | C2 | C3 | H4 | 120.1° | 120.0° |
| O1 | C2 | C3 | H5 | 120.1° | 120.0° |
| O1 | C2 | C3 | C14 | 178.2° | 175.0° |
| O1 | C2 | C3 | O2 | 62.0° | 65.1° |
| C2 | O1 | C1 | H1 | 180.0° | 180.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.1° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| O1 | C2 | H4 | H5 | 119.7° | 120.0° |
| O1 | C2 | C3 | H6 | 56.5° | 55.0° |
| C2 | C3 | C14 | O8 | 66.9° | 62.5° |
| C2 | C3 | C14 | O2 | 117.3° | 119.9° |
| C2 | C3 | C14 | H6 | 122.0° | 120.0° |
| C2 | C3 | C14 | C13 | 172.3° | 177.6° |
| C2 | C3 | O2 | H6 | 117.7° | 120.0° |
| C2 | C3 | O2 | C4 | 176.9° | 178.9° |
| C3 | C2 | H4 | H5 | 119.6° | 120.0° |
| C2 | C3 | C14 | H24 | 52.3° | 57.6° |
| O6 | C11 | N1 | C10 | 6.5° | 0.0° |
| O6 | C11 | N1 | C12 | 176.6° | 180.0° |
| O6 | C11 | N1 | H18 | 173.5° | 180.0° |
| O6 | C11 | C12 | H19 | 0.0° | 180.0° |
| O6 | C11 | C12 | H20 | 120.0° | 60.0° |
| O6 | C11 | C12 | H21 | 120.0° | 60.0° |
| O8 | C14 | C3 | C13 | 120.7° | 119.9° |
| O8 | C14 | C3 | H24 | 119.2° | 120.1° |
| O8 | C14 | C13 | H24 | 121.4° | 120.2° |
| O8 | C14 | C3 | O2 | 175.8° | 177.6° |
| O8 | C14 | C13 | O7 | 63.3° | 63.2° |
| O8 | C14 | C13 | C10 | 171.3° | 176.9° |
| O8 | C14 | C3 | H6 | 55.0° | 57.5° |
| O8 | C14 | C13 | H22 | 55.2° | 57.0° |
| C3 | C14 | C13 | H24 | 120.1° | 119.9° |
| C14 | C3 | O2 | H6 | 119.9° | 120.0° |
| C14 | C3 | O2 | C4 | 60.8° | 61.2° |
| C3 | C14 | C13 | O7 | 178.3° | 176.9° |
| C3 | C14 | C13 | C10 | 52.8° | 57.0° |
| C14 | C3 | C2 | H4 | 61.6° | 65.0° |
| C14 | C3 | C2 | H5 | 58.1° | 55.0° |
| C3 | C14 | C13 | H22 | 63.2° | 62.9° |
| C3 | C14 | O8 | H25 | 180.0° | 60.0° |
| C13 | C14 | C3 | O2 | 55.1° | 57.6° |
| C14 | C13 | O7 | C10 | 125.0° | 119.6° |
| C14 | C13 | O7 | H22 | 117.7° | 120.2° |
| C14 | C13 | C10 | H22 | 116.0° | 119.9° |
| C14 | C13 | C10 | C4 | 52.3° | 57.0° |
| C14 | C13 | C10 | N1 | 179.4° | 176.9° |
| C13 | C14 | C3 | H6 | 65.7° | 62.4° |
| C14 | C13 | C10 | H17 | 63.0° | 62.9° |
| C14 | C13 | O7 | H23 | 180.0° | 60.4° |
| C13 | C14 | O8 | H25 | 58.9° | 179.6° |
| C3 | O2 | C4 | C10 | 63.1° | 61.2° |
| C3 | O2 | C4 | O3 | 178.2° | 178.8° |
| O2 | C3 | C2 | H4 | 58.1° | 55.0° |
| O2 | C3 | C2 | H5 | 177.9° | 175.0° |
| C3 | O2 | C4 | H7 | 58.8° | 58.9° |
| O2 | C3 | C14 | H24 | 65.0° | 62.3° |
| O2 | C4 | C10 | C13 | 57.2° | 57.7° |
| O2 | C4 | C10 | O3 | 113.9° | 119.9° |
| O2 | C4 | C10 | H7 | 122.9° | 120.1° |
| O2 | C4 | C10 | N1 | 178.6° | 177.6° |
| O2 | C4 | O3 | H7 | 119.0° | 120.0° |
| O2 | C4 | O3 | C5 | 96.0° | 65.0° |
| C4 | O2 | C3 | H6 | 59.1° | 58.8° |
| O2 | C4 | C10 | H17 | 58.2° | 62.2° |
| O7 | C13 | C10 | H22 | 117.9° | 120.2° |
| O7 | C13 | C10 | C4 | 178.4° | 177.0° |
| O7 | C13 | C10 | N1 | 54.5° | 63.2° |
| O7 | C13 | C10 | H17 | 63.1° | 57.0° |
| O7 | C13 | C14 | H24 | 58.2° | 57.0° |
| C13 | C10 | C4 | N1 | 124.2° | 119.9° |
| C13 | C10 | C4 | H17 | 115.4° | 119.9° |
| C13 | C10 | N1 | H17 | 117.1° | 120.2° |
| C13 | C10 | C4 | O3 | 171.1° | 177.6° |
| C13 | C10 | N1 | C11 | 123.1° | 155.0° |
| C13 | C10 | C4 | H7 | 65.7° | 62.4° |
| C13 | C10 | N1 | H18 | 56.9° | 25.0° |
| C10 | C13 | O7 | H23 | 54.9° | 180.0° |
| C10 | C13 | C14 | H24 | 67.3° | 62.9° |
| C4 | C10 | N1 | H17 | 119.8° | 120.2° |
| C10 | C4 | O3 | H7 | 121.8° | 120.1° |
| C10 | C4 | O3 | C5 | 144.9° | 175.1° |
| C4 | C10 | N1 | C11 | 113.7° | 85.4° |
| C4 | C10 | N1 | H18 | 66.3° | 94.7° |
| C4 | C10 | C13 | H22 | 63.7° | 62.9° |
| N1 | C10 | C4 | O3 | 64.6° | 62.5° |
| C10 | N1 | C11 | H18 | 180.0° | 180.0° |
| C10 | N1 | C11 | C12 | 176.9° | 180.0° |
| N1 | C10 | C4 | H7 | 58.6° | 57.5° |
| N1 | C10 | C13 | H22 | 63.4° | 57.0° |
| C4 | O3 | C5 | C6 | 121.7° | 180.0° |
| C4 | O3 | C5 | H8 | 2.5° | 60.0° |
| C4 | O3 | C5 | H9 | 119.1° | 59.9° |
| O3 | C4 | C10 | H17 | 55.8° | 57.7° |
| O3 | C5 | C6 | C7 | 103.1° | 175.4° |
| O3 | C5 | C6 | H8 | 119.2° | 120.0° |
| O3 | C5 | C6 | H9 | 119.2° | 120.0° |
| O3 | C5 | C6 | O5 | 127.4° | 65.0° |
| C5 | O3 | C4 | H7 | 23.1° | 55.0° |
| O3 | C5 | H8 | H9 | 122.3° | 119.9° |
| O3 | C5 | C6 | H10 | 14.9° | 55.1° |
| C11 | N1 | C10 | H17 | 6.1° | 34.9° |
| N1 | C11 | C12 | H19 | 176.6° | 0.0° |
| N1 | C11 | C12 | H20 | 56.6° | 120.0° |
| N1 | C11 | C12 | H21 | 63.4° | 120.0° |
| C12 | C11 | N1 | H18 | 3.1° | 0.0° |
| C11 | C12 | H19 | H20 | 120.0° | 120.0° |
| C11 | C12 | H19 | H21 | 120.0° | 120.0° |
| C11 | C12 | H20 | H21 | 120.0° | 120.0° |
| O4 | C7 | C6 | H11 | 119.8° | 119.9° |
| O4 | C7 | C6 | H12 | 119.8° | 119.9° |
| O4 | C7 | C6 | C5 | 166.4° | 175.2° |
| O4 | C7 | C6 | O5 | 64.4° | 55.3° |
| C7 | O4 | C8 | C9 | 51.5° | 58.0° |
| O4 | C7 | C6 | H10 | 48.5° | 64.6° |
| O4 | C7 | H11 | H12 | 120.5° | 120.2° |
| C7 | O4 | C8 | H13 | 69.0° | 62.0° |
| C7 | O4 | C8 | H14 | 171.9° | 177.9° |
| C7 | C6 | C5 | O5 | 129.5° | 119.6° |
| C7 | C6 | C5 | H10 | 118.0° | 120.2° |
| C6 | C7 | O4 | C8 | 57.6° | 58.0° |
| C7 | C6 | O5 | H10 | 112.5° | 119.9° |
| C7 | C6 | O5 | C9 | 63.7° | 58.0° |
| C7 | C6 | C5 | H8 | 137.7° | 64.6° |
| C7 | C6 | C5 | H9 | 16.1° | 55.3° |
| C6 | C7 | H11 | H12 | 120.6° | 120.1° |
| C5 | C6 | O5 | H10 | 111.9° | 120.2° |
| C5 | C6 | O5 | C9 | 160.6° | 177.9° |
| C6 | C5 | H8 | H9 | 122.3° | 120.0° |
| C5 | C6 | C7 | H11 | 46.6° | 55.3° |
| C5 | C6 | C7 | H12 | 73.8° | 64.9° |
| O4 | C8 | C9 | H13 | 120.5° | 119.9° |
| O4 | C8 | C9 | H14 | 120.4° | 119.9° |
| O4 | C8 | C9 | O5 | 49.8° | 55.4° |
| C8 | O4 | C7 | H11 | 177.4° | 61.9° |
| C8 | O4 | C7 | H12 | 62.2° | 177.8° |
| O4 | C8 | H13 | H14 | 118.6° | 120.1° |
| O4 | C8 | C9 | H15 | 170.1° | 175.2° |
| O4 | C8 | C9 | H16 | 70.4° | 64.6° |
| C6 | O5 | C9 | C8 | 55.6° | 58.0° |
| O5 | C6 | C5 | H8 | 8.2° | 55.0° |
| O5 | C6 | C5 | H9 | 113.4° | 174.9° |
| O5 | C6 | C7 | H11 | 175.8° | 64.6° |
| O5 | C6 | C7 | H12 | 55.4° | 175.2° |
| C6 | O5 | C9 | H15 | 175.8° | 177.9° |
| C6 | O5 | C9 | H16 | 64.6° | 61.9° |
| C8 | C9 | O5 | H15 | 120.2° | 119.8° |
| C8 | C9 | O5 | H16 | 120.2° | 119.9° |
| C9 | C8 | H13 | H14 | 118.6° | 120.2° |
| C8 | C9 | H15 | H16 | 119.3° | 120.2° |
| C9 | O5 | C6 | H10 | 48.8° | 61.9° |
| O5 | C9 | C8 | H13 | 70.6° | 64.6° |
| O5 | C9 | C8 | H14 | 170.3° | 175.2° |
| O5 | C9 | H15 | H16 | 119.3° | 120.2° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C2 | C3 | H6 | 176.6° | 175.0° |
| H5 | C2 | C3 | H6 | 63.6° | 65.0° |
| H6 | C3 | C14 | H24 | 174.3° | 177.6° |
| H7 | C4 | C10 | H17 | 179.0° | 177.7° |
| H8 | C5 | C6 | H10 | 104.3° | 175.1° |
| H9 | C5 | C6 | H10 | 134.1° | 64.9° |
| H10 | C6 | C7 | H11 | 71.3° | 175.5° |
| H10 | C6 | C7 | H12 | 168.3° | 55.3° |
| H13 | C8 | C9 | H15 | 49.6° | 55.2° |
| H13 | C8 | C9 | H16 | 169.2° | 175.5° |
| H14 | C8 | C9 | H15 | 69.5° | 64.9° |
| H14 | C8 | C9 | H16 | 50.0° | 55.3° |
| H17 | C10 | N1 | H18 | 173.9° | 145.1° |
| H17 | C10 | C13 | H22 | 179.0° | 177.2° |
| H19 | C12 | H20 | H21 | 120.0° | 120.0° |
| H22 | C13 | O7 | H23 | 62.3° | 59.8° |
| H22 | C13 | C14 | H24 | 176.7° | 177.2° |
| H24 | C14 | O8 | H25 | 61.7° | 60.1° |
