GEH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | N09 | sing | 1.47Å | 1.45Å | |
| C11 | S12 | sing | 1.81Å | 1.81Å | |
| N09 | C08 | sing | 1.35Å | 1.33Å | |
| O13 | C08 | doub | 1.21Å | 1.22Å | |
| C08 | C07 | sing | 1.51Å | 1.51Å | |
| C14 | C07 | sing | 1.53Å | 1.52Å | |
| C07 | O06 | sing | 1.43Å | 1.43Å | |
| C07 | C15 | sing | 1.53Å | 1.53Å | |
| O06 | C05 | sing | 1.36Å | 1.38Å | |
| C05 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | CL1 | sing | 1.74Å | 1.78Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| N09 | H15 | sing | 0.97Å | 1.00Å | |
| S12 | H16 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N09 | 112.3° | 109.5° |
| C10 | C11 | S12 | 111.8° | 109.4° |
| C10 | C11 | H2 | 108.9° | 109.5° |
| C10 | C11 | H3 | 108.9° | 109.5° |
| C11 | C10 | H8 | 108.8° | 109.5° |
| C11 | C10 | H9 | 108.7° | 109.5° |
| C10 | N09 | C08 | 121.3° | 120.0° |
| N09 | C10 | H8 | 108.8° | 109.4° |
| N09 | C10 | H9 | 108.8° | 109.5° |
| C10 | N09 | H15 | 119.4° | 120.0° |
| S12 | C11 | H2 | 108.9° | 109.5° |
| S12 | C11 | H3 | 108.9° | 109.4° |
| C11 | S12 | H16 | 102.0° | 103.0° |
| N09 | C08 | O13 | 122.2° | 120.0° |
| N09 | C08 | C07 | 117.1° | 120.0° |
| C08 | N09 | H15 | 119.3° | 120.0° |
| O13 | C08 | C07 | 120.7° | 120.0° |
| C08 | C07 | C14 | 107.8° | 109.5° |
| C08 | C07 | O06 | 111.2° | 109.5° |
| C08 | C07 | C15 | 111.0° | 109.5° |
| C14 | C07 | O06 | 107.0° | 109.5° |
| C14 | C07 | C15 | 108.8° | 109.4° |
| C07 | C14 | H4 | 109.5° | 109.5° |
| C07 | C14 | H5 | 109.5° | 109.5° |
| C07 | C14 | H6 | 109.5° | 109.5° |
| O06 | C07 | C15 | 111.0° | 109.5° |
| C07 | O06 | C05 | 127.0° | 117.0° |
| C07 | C15 | H10 | 109.5° | 109.4° |
| C07 | C15 | H11 | 109.4° | 109.5° |
| C07 | C15 | H12 | 109.5° | 109.5° |
| O06 | C05 | C16 | 123.9° | 120.1° |
| O06 | C05 | C04 | 115.8° | 120.0° |
| C16 | C05 | C04 | 120.3° | 119.9° |
| C05 | C16 | C17 | 119.6° | 120.0° |
| C05 | C16 | H13 | 120.2° | 120.0° |
| C05 | C04 | C03 | 120.2° | 119.9° |
| C05 | C04 | H7 | 119.9° | 120.0° |
| C16 | C17 | C02 | 118.8° | 120.1° |
| C17 | C16 | H13 | 120.2° | 120.0° |
| C16 | C17 | H14 | 120.6° | 120.0° |
| C04 | C03 | C02 | 119.0° | 120.1° |
| C04 | C03 | H1 | 120.5° | 120.0° |
| C03 | C04 | H7 | 119.9° | 120.0° |
| C17 | C02 | C03 | 122.0° | 120.1° |
| C17 | C02 | CL1 | 119.3° | 120.0° |
| C02 | C17 | H14 | 120.6° | 120.0° |
| C03 | C02 | CL1 | 118.7° | 120.0° |
| C02 | C03 | H1 | 120.5° | 119.9° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H4 | C14 | H6 | 109.4° | 109.4° |
| H5 | C14 | H6 | 109.5° | 109.4° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N09 | H8 | 120.5° | 120.0° |
| C11 | C10 | N09 | H9 | 120.4° | 120.0° |
| C10 | C11 | S12 | H2 | 120.3° | 120.0° |
| C10 | C11 | S12 | H3 | 120.4° | 120.0° |
| C11 | C10 | N09 | C08 | 82.9° | 180.0° |
| C10 | C11 | H2 | H3 | 118.9° | 120.1° |
| C11 | C10 | H8 | H9 | 118.7° | 120.1° |
| C11 | C10 | N09 | H15 | 97.1° | 0.0° |
| C10 | C11 | S12 | H16 | 180.0° | 180.0° |
| N09 | C10 | C11 | S12 | 75.7° | 180.0° |
| C10 | N09 | C08 | H15 | 180.0° | 180.0° |
| C10 | N09 | C08 | O13 | 6.0° | 0.1° |
| C10 | N09 | C08 | C07 | 173.3° | 180.0° |
| N09 | C10 | C11 | H2 | 44.6° | 60.0° |
| N09 | C10 | C11 | H3 | 163.9° | 60.0° |
| N09 | C10 | H8 | H9 | 118.7° | 120.0° |
| S12 | C11 | H2 | H3 | 119.0° | 119.9° |
| S12 | C11 | C10 | H8 | 44.7° | 60.0° |
| S12 | C11 | C10 | H9 | 163.8° | 60.0° |
| N09 | C08 | O13 | C07 | 179.3° | 179.9° |
| N09 | C08 | C07 | C14 | 97.7° | 59.9° |
| N09 | C08 | C07 | O06 | 19.2° | 180.0° |
| N09 | C08 | C07 | C15 | 143.3° | 60.0° |
| C08 | N09 | C10 | H8 | 156.7° | 60.0° |
| C08 | N09 | C10 | H9 | 37.6° | 59.9° |
| O13 | C08 | C07 | C14 | 81.6° | 120.0° |
| O13 | C08 | C07 | O06 | 161.4° | 0.1° |
| O13 | C08 | C07 | C15 | 37.4° | 120.1° |
| O13 | C08 | N09 | H15 | 173.9° | 179.9° |
| C08 | C07 | C14 | O06 | 119.7° | 120.0° |
| C08 | C07 | C14 | C15 | 120.4° | 120.0° |
| C08 | C07 | O06 | C15 | 124.0° | 120.0° |
| C08 | C07 | O06 | C05 | 71.9° | 60.0° |
| C08 | C07 | C14 | H4 | 180.0° | 171.6° |
| C08 | C07 | C14 | H5 | 60.0° | 51.5° |
| C08 | C07 | C14 | H6 | 60.0° | 68.4° |
| C08 | C07 | C15 | H10 | 180.0° | 55.3° |
| C08 | C07 | C15 | H11 | 60.0° | 64.7° |
| C08 | C07 | C15 | H12 | 60.0° | 175.2° |
| C07 | C08 | N09 | H15 | 6.8° | 0.0° |
| C14 | C07 | O06 | C15 | 118.6° | 120.0° |
| C14 | C07 | O06 | C05 | 170.7° | 60.0° |
| C07 | C14 | H4 | H5 | 120.0° | 120.1° |
| C07 | C14 | H4 | H6 | 120.0° | 120.0° |
| C07 | C14 | H5 | H6 | 120.0° | 120.0° |
| C14 | C07 | C15 | H10 | 61.6° | 175.2° |
| C14 | C07 | C15 | H11 | 58.4° | 55.3° |
| C14 | C07 | C15 | H12 | 178.4° | 64.8° |
| C07 | O06 | C05 | C16 | 26.7° | 175.1° |
| C07 | O06 | C05 | C04 | 154.9° | 5.0° |
| O06 | C07 | C14 | H4 | 60.4° | 68.4° |
| O06 | C07 | C14 | H5 | 59.7° | 171.5° |
| O06 | C07 | C14 | H6 | 179.7° | 51.6° |
| O06 | C07 | C15 | H10 | 55.9° | 64.8° |
| O06 | C07 | C15 | H11 | 175.9° | 175.3° |
| O06 | C07 | C15 | H12 | 64.2° | 55.2° |
| C15 | C07 | O06 | C05 | 52.1° | 180.0° |
| C15 | C07 | C14 | H4 | 59.6° | 51.6° |
| C15 | C07 | C14 | H5 | 179.6° | 68.5° |
| C15 | C07 | C14 | H6 | 60.4° | 171.6° |
| C07 | C15 | H10 | H11 | 120.0° | 120.0° |
| C07 | C15 | H10 | H12 | 120.0° | 120.0° |
| C07 | C15 | H11 | H12 | 120.0° | 120.0° |
| O06 | C05 | C16 | C04 | 178.3° | 179.9° |
| O06 | C05 | C16 | C17 | 179.0° | 179.8° |
| O06 | C05 | C04 | C03 | 179.2° | 180.0° |
| O06 | C05 | C04 | H7 | 0.9° | 0.1° |
| O06 | C05 | C16 | H13 | 1.0° | 0.0° |
| C05 | C16 | C17 | H13 | 180.0° | 179.7° |
| C16 | C05 | C04 | C03 | 0.7° | 0.1° |
| C05 | C16 | C17 | C02 | 0.4° | 0.6° |
| C16 | C05 | C04 | H7 | 179.3° | 180.0° |
| C05 | C16 | C17 | H14 | 179.5° | 179.9° |
| C04 | C05 | C16 | C17 | 0.7° | 0.3° |
| C05 | C04 | C03 | H7 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.5° | 0.0° |
| C05 | C04 | C03 | H1 | 179.5° | 180.0° |
| C04 | C05 | C16 | H13 | 179.3° | 179.9° |
| C16 | C17 | C02 | H14 | 180.0° | 179.5° |
| C16 | C17 | C02 | C03 | 0.2° | 0.5° |
| C16 | C17 | C02 | CL1 | 179.6° | 179.7° |
| C04 | C03 | C02 | C17 | 0.2° | 0.3° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C04 | C03 | C02 | CL1 | 179.5° | 180.0° |
| C17 | C02 | C03 | CL1 | 179.7° | 179.7° |
| C17 | C02 | C03 | H1 | 179.8° | 179.7° |
| C02 | C17 | C16 | H13 | 179.6° | 179.7° |
| C02 | C03 | C04 | H7 | 179.6° | 180.0° |
| C03 | C02 | C17 | H14 | 179.8° | 180.0° |
| CL1 | C02 | C03 | H1 | 0.5° | 0.0° |
| CL1 | C02 | C17 | H14 | 0.5° | 0.2° |
| H1 | C03 | C04 | H7 | 0.5° | 0.0° |
| H2 | C11 | C10 | H8 | 165.1° | 60.0° |
| H2 | C11 | C10 | H9 | 75.8° | NaN° |
| H2 | C11 | S12 | H16 | 59.7° | 60.0° |
| H3 | C11 | C10 | H8 | 75.6° | 180.0° |
| H3 | C11 | C10 | H9 | 43.5° | 60.0° |
| H3 | C11 | S12 | H16 | 59.6° | 60.0° |
| H4 | C14 | H5 | H6 | 120.0° | 119.9° |
| H8 | C10 | N09 | H15 | 23.3° | 120.0° |
| H9 | C10 | N09 | H15 | 142.5° | 120.0° |
| H10 | C15 | H11 | H12 | 120.0° | 120.0° |
| H13 | C16 | C17 | H14 | 0.5° | 0.2° |
