ZGE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C12 | doub | 1.30Å | 1.35Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| O8 | C8 | sing | 1.43Å | 1.42Å | |
| N5 | C10 | sing | 1.35Å | 1.33Å | |
| N5 | C5 | sing | 1.46Å | 1.49Å | |
| O9 | C9 | sing | 1.43Å | 1.45Å | |
| C12 | N7 | sing | 1.37Å | 1.29Å | |
| C12 | N4 | sing | 1.37Å | 1.37Å | |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | N4 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.50Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.54Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.45Å | |
| C7 | O7 | sing | 1.43Å | 1.44Å | |
| C3 | F1 | sing | 1.35Å | 1.33Å | |
| C3 | C2 | doub | 1.33Å | 1.37Å | |
| O6 | C2 | sing | 1.36Å | 1.43Å | |
| C2 | C1 | sing | 1.47Å | 1.50Å | |
| C1 | O1B | sing | 1.35Å | 1.27Å | |
| C1 | O1A | doub | 1.22Å | 1.26Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| N5 | H4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| N4 | H7 | sing | 0.97Å | 1.00Å | |
| N7 | H8 | sing | 0.97Å | 1.00Å | |
| N7 | H9 | sing | 0.97Å | 1.00Å | |
| N6 | H10 | sing | 0.97Å | 1.00Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| O7 | H14 | sing | 0.97Å | 0.95Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| O8 | H16 | sing | 0.97Å | 0.95Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| O9 | H19 | sing | 0.97Å | 0.95Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C12 | N7 | 118.1° | 120.0° |
| N6 | C12 | N4 | 122.3° | 120.0° |
| C12 | N6 | H10 | 112.0° | 120.0° |
| C11 | C10 | N5 | 118.6° | 120.0° |
| C11 | C10 | O10 | 121.4° | 119.9° |
| C10 | C11 | H1 | 109.5° | 109.5° |
| C10 | C11 | H2 | 109.5° | 109.4° |
| C10 | C11 | H3 | 109.5° | 109.5° |
| O8 | C8 | C9 | 109.3° | 109.4° |
| O8 | C8 | C7 | 108.3° | 109.5° |
| O8 | C8 | H15 | 109.3° | 109.4° |
| C8 | O8 | H16 | 109.5° | 113.9° |
| C10 | N5 | C5 | 121.4° | 120.0° |
| N5 | C10 | O10 | 120.0° | 120.0° |
| C10 | N5 | H4 | 119.3° | 120.0° |
| N5 | C5 | C4 | 107.7° | 109.8° |
| N5 | C5 | C6 | 106.9° | 109.7° |
| C5 | N5 | H4 | 119.3° | 120.0° |
| N5 | C5 | H5 | 112.3° | 109.7° |
| O9 | C9 | C8 | 111.4° | 109.5° |
| O9 | C9 | H17 | 109.0° | 109.5° |
| O9 | C9 | H18 | 109.0° | 109.5° |
| C9 | O9 | H19 | 109.5° | 114.0° |
| N7 | C12 | N4 | 119.6° | 120.0° |
| C12 | N7 | H8 | 120.0° | 120.0° |
| C12 | N7 | H9 | 120.0° | 120.0° |
| C12 | N4 | C4 | 124.6° | 120.0° |
| C12 | N4 | H7 | 117.7° | 120.0° |
| C9 | C8 | C7 | 114.1° | 109.5° |
| C9 | C8 | H15 | 107.6° | 109.5° |
| C8 | C9 | H17 | 109.0° | 109.4° |
| C8 | C9 | H18 | 109.0° | 109.5° |
| C8 | C7 | C6 | 114.9° | 109.5° |
| C8 | C7 | O7 | 106.5° | 109.5° |
| C8 | C7 | H13 | 109.2° | 109.5° |
| C7 | C8 | H15 | 108.0° | 109.5° |
| C5 | C4 | N4 | 107.7° | 109.4° |
| C5 | C4 | C3 | 112.0° | 109.5° |
| C4 | C5 | C6 | 106.8° | 108.3° |
| C4 | C5 | H5 | 111.4° | 109.7° |
| C5 | C4 | H6 | 106.5° | 109.5° |
| N4 | C4 | C3 | 116.0° | 109.5° |
| N4 | C4 | H6 | 107.4° | 109.4° |
| C4 | N4 | H7 | 117.7° | 120.0° |
| C4 | C3 | F1 | 118.7° | 118.9° |
| C4 | C3 | C2 | 123.0° | 122.2° |
| C3 | C4 | H6 | 106.6° | 109.5° |
| C7 | C6 | C5 | 115.1° | 109.7° |
| C7 | C6 | O6 | 106.3° | 109.7° |
| C6 | C7 | O7 | 106.8° | 109.5° |
| C7 | C6 | H11 | 107.5° | 109.7° |
| C6 | C7 | H13 | 109.0° | 109.5° |
| C5 | C6 | O6 | 111.5° | 108.4° |
| C6 | C5 | H5 | 111.5° | 109.6° |
| C5 | C6 | H11 | 107.5° | 109.6° |
| C6 | O6 | C2 | 121.5° | 117.5° |
| O6 | C6 | H11 | 108.7° | 109.7° |
| O7 | C7 | H13 | 110.4° | 109.4° |
| C7 | O7 | H14 | 109.5° | 114.0° |
| F1 | C3 | C2 | 117.6° | 118.9° |
| C3 | C2 | O6 | 118.0° | 122.9° |
| C3 | C2 | C1 | 125.6° | 118.6° |
| O6 | C2 | C1 | 116.2° | 118.5° |
| C2 | C1 | O1B | 118.0° | 120.0° |
| C2 | C1 | O1A | 122.4° | 120.0° |
| O1B | C1 | O1A | 119.5° | 120.0° |
| C1 | O1B | HO1B | 109.5° | 117.0° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H1 | C11 | H3 | 109.4° | 109.5° |
| H2 | C11 | H3 | 109.4° | 109.5° |
| H8 | N7 | H9 | 120.0° | 120.0° |
| H17 | C9 | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C12 | N7 | N4 | 179.2° | 179.9° |
| N6 | C12 | N4 | C4 | 4.1° | 180.0° |
| N6 | C12 | N4 | H7 | 175.9° | 0.0° |
| N6 | C12 | N7 | H8 | 179.2° | 180.0° |
| N6 | C12 | N7 | H9 | 0.8° | 0.1° |
| C11 | C10 | N5 | O10 | 178.9° | 179.7° |
| C11 | C10 | N5 | C5 | 177.1° | 179.7° |
| C10 | C11 | H1 | H2 | 120.0° | 120.0° |
| C10 | C11 | H1 | H3 | 120.0° | 120.0° |
| C10 | C11 | H2 | H3 | 120.0° | 120.0° |
| C11 | C10 | N5 | H4 | 2.9° | 0.3° |
| O8 | C8 | C9 | O9 | 63.6° | 65.0° |
| O8 | C8 | C9 | C7 | 121.5° | 120.1° |
| O8 | C8 | C9 | H15 | 118.7° | 119.9° |
| O8 | C8 | C7 | H15 | 118.3° | 120.0° |
| O8 | C8 | C7 | C6 | 57.6° | 60.0° |
| O8 | C8 | C7 | O7 | 175.7° | 180.0° |
| O8 | C8 | C7 | H13 | 65.1° | 60.0° |
| O8 | C8 | C9 | H17 | 176.1° | 175.0° |
| O8 | C8 | C9 | H18 | 56.7° | 55.1° |
| C10 | N5 | C5 | H4 | 180.0° | 180.0° |
| C10 | N5 | C5 | C4 | 108.2° | 85.6° |
| C10 | N5 | C5 | C6 | 137.3° | 155.5° |
| N5 | C10 | C11 | H1 | 178.9° | 179.7° |
| N5 | C10 | C11 | H2 | 58.9° | 59.7° |
| N5 | C10 | C11 | H3 | 61.1° | 60.3° |
| C10 | N5 | C5 | H5 | 14.8° | 35.0° |
| C5 | N5 | C10 | O10 | 1.8° | 0.0° |
| N5 | C5 | C4 | C6 | 114.5° | 119.8° |
| N5 | C5 | C4 | H5 | 123.5° | 120.6° |
| N5 | C5 | C4 | N4 | 68.8° | 73.0° |
| N5 | C5 | C4 | C3 | 162.5° | 167.0° |
| N5 | C5 | C6 | C7 | 65.1° | 57.4° |
| N5 | C5 | C6 | H5 | 123.0° | 120.5° |
| N5 | C5 | C6 | O6 | 173.7° | 177.1° |
| N5 | C5 | C4 | H6 | 46.2° | 47.0° |
| N5 | C5 | C6 | H11 | 54.7° | 63.1° |
| O9 | C9 | C8 | H17 | 120.3° | 120.0° |
| O9 | C9 | C8 | H18 | 120.3° | 120.0° |
| O9 | C9 | C8 | C7 | 57.9° | 175.0° |
| O9 | C9 | C8 | H15 | 177.8° | 55.0° |
| O9 | C9 | H17 | H18 | 119.1° | 120.0° |
| N7 | C12 | N4 | C4 | 176.7° | 0.1° |
| N7 | C12 | N4 | H7 | 3.3° | 180.0° |
| C12 | N7 | H8 | H9 | 180.0° | 179.9° |
| N7 | C12 | N6 | H10 | 179.2° | 180.0° |
| C12 | N4 | C4 | C5 | 92.9° | 155.0° |
| C12 | N4 | C4 | H7 | 180.0° | 180.0° |
| C12 | N4 | C4 | C3 | 140.6° | 85.0° |
| C12 | N4 | C4 | H6 | 21.5° | 35.0° |
| N4 | C12 | N7 | H8 | 0.0° | 0.1° |
| N4 | C12 | N7 | H9 | 180.0° | 180.0° |
| N4 | C12 | N6 | H10 | 0.0° | 0.0° |
| O10 | C10 | C11 | H1 | 0.0° | 0.0° |
| O10 | C10 | C11 | H2 | 120.0° | 120.0° |
| O10 | C10 | C11 | H3 | 120.0° | 120.0° |
| O10 | C10 | N5 | H4 | 178.2° | 180.0° |
| C9 | C8 | C7 | H15 | 119.6° | 120.0° |
| C9 | C8 | C7 | C6 | 179.7° | 180.0° |
| C9 | C8 | C7 | O7 | 62.3° | 60.0° |
| C9 | C8 | C7 | H13 | 56.9° | 60.0° |
| C9 | C8 | O8 | H16 | 180.0° | 60.1° |
| C8 | C9 | H17 | H18 | 119.1° | 120.0° |
| C8 | C9 | O9 | H19 | 180.0° | 180.0° |
| C8 | C7 | C6 | O7 | 117.9° | 120.0° |
| C8 | C7 | C6 | H13 | 122.9° | 120.0° |
| C8 | C7 | C6 | C5 | 177.3° | 175.1° |
| C8 | C7 | C6 | O6 | 58.8° | 56.1° |
| C8 | C7 | O7 | H13 | 118.4° | 120.0° |
| C8 | C7 | C6 | H11 | 57.5° | 64.5° |
| C8 | C7 | O7 | H14 | 180.0° | 60.0° |
| C7 | C8 | O8 | H16 | 55.1° | 60.0° |
| C7 | C8 | C9 | H17 | 62.4° | 55.0° |
| C7 | C8 | C9 | H18 | 178.2° | 65.0° |
| C5 | C4 | N4 | C3 | 126.4° | 120.0° |
| C5 | C4 | N4 | H6 | 114.4° | 120.0° |
| C5 | C4 | C3 | H6 | 116.2° | 120.1° |
| C4 | C5 | C6 | C7 | 179.8° | 177.1° |
| C4 | C5 | C6 | H5 | 121.9° | 119.7° |
| C4 | C5 | C6 | O6 | 58.7° | 63.1° |
| C5 | C4 | C3 | F1 | 172.7° | 162.4° |
| C5 | C4 | C3 | C2 | 16.9° | 17.6° |
| C4 | C5 | N5 | H4 | 71.8° | 94.4° |
| C5 | C4 | N4 | H7 | 87.1° | 25.0° |
| C4 | C5 | C6 | H11 | 60.4° | 56.7° |
| N4 | C4 | C3 | H6 | 119.6° | 120.0° |
| N4 | C4 | C5 | C6 | 176.7° | 167.3° |
| N4 | C4 | C3 | F1 | 48.5° | 42.4° |
| N4 | C4 | C3 | C2 | 141.1° | 137.6° |
| N4 | C4 | C5 | H5 | 54.7° | 47.6° |
| C3 | C4 | C5 | C6 | 47.9° | 47.2° |
| C4 | C3 | F1 | C2 | 170.9° | 179.9° |
| C4 | C3 | C2 | O6 | 7.6° | 0.4° |
| C4 | C3 | C2 | C1 | 178.4° | 179.6° |
| C3 | C4 | C5 | H5 | 74.0° | 72.4° |
| C3 | C4 | N4 | H7 | 39.4° | 95.0° |
| C7 | C6 | C5 | O6 | 121.2° | 119.7° |
| C7 | C6 | C5 | H11 | 119.8° | 120.5° |
| C7 | C6 | O6 | H11 | 115.5° | 120.6° |
| C6 | C7 | O7 | H13 | 118.3° | 120.0° |
| C7 | C6 | O6 | C2 | 164.3° | 167.6° |
| C7 | C6 | C5 | H5 | 57.9° | 63.2° |
| C6 | C7 | O7 | H14 | 56.7° | 60.0° |
| C6 | C7 | C8 | H15 | 60.7° | 60.0° |
| C5 | C6 | O6 | H11 | 118.3° | 119.7° |
| C5 | C6 | C7 | O7 | 64.9° | 55.0° |
| C5 | C6 | O6 | C2 | 38.1° | 47.9° |
| C6 | C5 | N5 | H4 | 42.7° | 24.5° |
| C6 | C5 | C4 | H6 | 68.3° | 72.8° |
| C5 | C6 | C7 | H13 | 54.4° | 64.9° |
| O6 | C6 | C7 | O7 | 59.1° | 63.9° |
| C6 | O6 | C2 | C3 | 3.5° | 16.7° |
| C6 | O6 | C2 | C1 | 171.1° | 163.3° |
| O6 | C6 | C5 | H5 | 63.3° | 56.6° |
| O6 | C6 | C7 | H13 | 178.3° | 176.1° |
| O7 | C7 | C6 | H11 | 175.4° | 175.5° |
| O7 | C7 | C8 | H15 | 57.4° | 60.0° |
| F1 | C3 | C2 | O6 | 162.9° | 179.5° |
| F1 | C3 | C2 | C1 | 11.1° | 0.4° |
| F1 | C3 | C4 | H6 | 71.1° | 77.6° |
| C3 | C2 | O6 | C1 | 174.5° | 180.0° |
| C3 | C2 | C1 | O1B | 165.3° | 180.0° |
| C3 | C2 | C1 | O1A | 11.4° | 0.0° |
| C2 | C3 | C4 | H6 | 99.3° | 102.5° |
| O6 | C2 | C1 | O1B | 8.8° | 0.0° |
| O6 | C2 | C1 | O1A | 174.5° | 180.0° |
| C2 | O6 | C6 | H11 | 80.2° | 71.8° |
| C2 | C1 | O1B | O1A | 176.8° | 180.0° |
| C2 | C1 | O1B | HO1B | 176.8° | 180.0° |
| O1A | C1 | O1B | HO1B | 0.0° | 0.1° |
| H1 | C11 | H2 | H3 | 119.9° | 120.0° |
| H4 | N5 | C5 | H5 | 165.2° | 145.0° |
| H5 | C5 | C4 | H6 | 169.7° | 167.6° |
| H5 | C5 | C6 | H11 | 177.7° | 176.3° |
| H6 | C4 | N4 | H7 | 158.5° | 145.0° |
| H11 | C6 | C7 | H13 | 65.4° | 55.5° |
| H13 | C7 | O7 | H14 | 61.6° | 180.0° |
| H13 | C7 | C8 | H15 | 176.6° | 180.0° |
| H15 | C8 | O8 | H16 | 62.4° | 180.0° |
| H15 | C8 | C9 | H17 | 57.4° | 65.0° |
| H15 | C8 | C9 | H18 | 61.9° | 175.0° |
| H17 | C9 | O9 | H19 | 59.7° | 60.0° |
| H18 | C9 | O9 | H19 | 59.7° | 60.0° |
