GHE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.34Å | 1.26Å | |
| C1 | O2 | doub | 1.21Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.54Å | 1.46Å | |
| C2 | N1 | sing | 1.47Å | 1.42Å | |
| C3 | C4 | sing | 1.55Å | 1.49Å | |
| C4 | C5 | sing | 1.55Å | 1.48Å | |
| C5 | N1 | sing | 1.47Å | 1.42Å | |
| N1 | C6 | sing | 1.35Å | 1.46Å | |
| C6 | O6 | doub | 1.21Å | 1.21Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | O11 | doub | 1.21Å | 1.21Å | |
| C11 | N2 | sing | 1.35Å | 1.42Å | |
| N2 | C12 | sing | 1.47Å | 1.42Å | |
| N2 | C15 | sing | 1.47Å | 1.42Å | |
| C12 | C13 | sing | 1.55Å | 1.49Å | |
| C13 | C14 | sing | 1.55Å | 1.50Å | |
| C14 | C15 | sing | 1.54Å | 1.49Å | |
| C15 | C16 | sing | 1.51Å | 1.49Å | |
| C16 | O16 | doub | 1.21Å | 1.26Å | |
| C16 | O17 | sing | 1.34Å | 1.26Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 116.6° | 120.0° |
| O1 | C1 | C2 | 120.9° | 120.0° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| O2 | C1 | C2 | 122.5° | 120.0° |
| C1 | C2 | C3 | 109.8° | 109.9° |
| C1 | C2 | N1 | 110.7° | 109.9° |
| C1 | C2 | H2 | 109.7° | 110.1° |
| C3 | C2 | N1 | 105.7° | 107.2° |
| C2 | C3 | C4 | 105.8° | 103.0° |
| C3 | C2 | H2 | 110.2° | 109.9° |
| C2 | C3 | H31C | 110.4° | 110.7° |
| C2 | C3 | H32C | 110.4° | 110.8° |
| C2 | N1 | C5 | 110.9° | 108.7° |
| C2 | N1 | C6 | 125.8° | 125.6° |
| N1 | C2 | H2 | 110.8° | 109.9° |
| C3 | C4 | C5 | 104.1° | 101.5° |
| C4 | C3 | H31C | 110.4° | 110.7° |
| C4 | C3 | H32C | 110.4° | 110.7° |
| C3 | C4 | H41C | 110.8° | 111.0° |
| C3 | C4 | H42C | 110.8° | 111.0° |
| C4 | C5 | N1 | 102.8° | 104.7° |
| C5 | C4 | H41C | 110.8° | 111.2° |
| C5 | C4 | H42C | 110.8° | 110.9° |
| C4 | C5 | H51C | 111.1° | 110.4° |
| C4 | C5 | H52C | 111.1° | 110.3° |
| C5 | N1 | C6 | 123.3° | 125.7° |
| N1 | C5 | H51C | 111.1° | 110.7° |
| N1 | C5 | H52C | 111.1° | 110.2° |
| N1 | C6 | O6 | 122.5° | 120.1° |
| N1 | C6 | C7 | 119.4° | 119.9° |
| O6 | C6 | C7 | 118.1° | 120.0° |
| C6 | C7 | C8 | 112.1° | 109.4° |
| C6 | C7 | H71C | 108.8° | 109.5° |
| C6 | C7 | H72C | 108.8° | 109.5° |
| C7 | C8 | C9 | 114.9° | 109.5° |
| C8 | C7 | H71C | 108.8° | 109.5° |
| C8 | C7 | H72C | 108.8° | 109.5° |
| C7 | C8 | H81C | 108.1° | 109.5° |
| C7 | C8 | H82C | 108.1° | 109.4° |
| C8 | C9 | C10 | 116.4° | 109.5° |
| C9 | C8 | H81C | 108.1° | 109.5° |
| C9 | C8 | H82C | 108.1° | 109.5° |
| C8 | C9 | H91C | 107.7° | 109.5° |
| C8 | C9 | H92C | 107.7° | 109.5° |
| C9 | C10 | C11 | 115.9° | 109.5° |
| C10 | C9 | H91C | 107.7° | 109.5° |
| C10 | C9 | H92C | 107.7° | 109.4° |
| C9 | C10 | H101 | 107.8° | 109.5° |
| C9 | C10 | H102 | 107.8° | 109.4° |
| C10 | C11 | O11 | 120.8° | 120.0° |
| C10 | C11 | N2 | 120.1° | 120.0° |
| C11 | C10 | H101 | 107.8° | 109.5° |
| C11 | C10 | H102 | 107.8° | 109.5° |
| O11 | C11 | N2 | 119.1° | 120.0° |
| C11 | N2 | C12 | 123.2° | 125.6° |
| C11 | N2 | C15 | 126.8° | 125.7° |
| C12 | N2 | C15 | 110.0° | 108.7° |
| N2 | C12 | C13 | 101.8° | 104.7° |
| N2 | C12 | H121 | 111.3° | 110.4° |
| N2 | C12 | H122 | 111.3° | 110.3° |
| N2 | C15 | C14 | 102.4° | 107.3° |
| N2 | C15 | C16 | 116.5° | 109.9° |
| N2 | C15 | H15 | 109.8° | 109.9° |
| C12 | C13 | C14 | 105.6° | 101.5° |
| C13 | C12 | H121 | 111.4° | 110.5° |
| C13 | C12 | H122 | 111.4° | 110.4° |
| C12 | C13 | H131 | 110.4° | 111.2° |
| C12 | C13 | H132 | 110.5° | 111.0° |
| C13 | C14 | C15 | 106.4° | 102.9° |
| C14 | C13 | H131 | 110.4° | 111.0° |
| C14 | C13 | H132 | 110.4° | 111.0° |
| C13 | C14 | H141 | 110.2° | 110.7° |
| C13 | C14 | H142 | 110.3° | 110.9° |
| C14 | C15 | C16 | 110.2° | 109.9° |
| C14 | C15 | H15 | 108.9° | 110.0° |
| C15 | C14 | H141 | 110.2° | 110.7° |
| C15 | C14 | H142 | 110.2° | 110.7° |
| C15 | C16 | O16 | 119.7° | 120.0° |
| C15 | C16 | O17 | 122.6° | 120.0° |
| C16 | C15 | H15 | 108.9° | 109.8° |
| O16 | C16 | O17 | 117.7° | 120.0° |
| C16 | O17 | H17 | 109.5° | 117.0° |
| H31C | C3 | H32C | 109.5° | 110.8° |
| H41C | C4 | H42C | 109.5° | 110.9° |
| H51C | C5 | H52C | 109.5° | 110.4° |
| H71C | C7 | H72C | 109.5° | 109.5° |
| H81C | C8 | H82C | 109.4° | 109.4° |
| H91C | C9 | H92C | 109.4° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 110.4° |
| H131 | C13 | H132 | 109.5° | 110.9° |
| H141 | C14 | H142 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.7° | 179.9° |
| O1 | C1 | C2 | C3 | 101.7° | 61.5° |
| O1 | C1 | C2 | N1 | 142.1° | 179.3° |
| O1 | C1 | C2 | H2 | 19.6° | 59.6° |
| O2 | C1 | C2 | C3 | 78.7° | 118.6° |
| O2 | C1 | C2 | N1 | 37.6° | 0.8° |
| O2 | C1 | O1 | H1 | 0.0° | 0.1° |
| O2 | C1 | C2 | H2 | 160.0° | 120.3° |
| C1 | C2 | C3 | N1 | 119.4° | 119.4° |
| C1 | C2 | C3 | H2 | 120.9° | 121.2° |
| C1 | C2 | N1 | H2 | 121.8° | 121.2° |
| C1 | C2 | C3 | C4 | 129.2° | 141.6° |
| C1 | C2 | N1 | C5 | 107.2° | 118.1° |
| C1 | C2 | N1 | C6 | 72.7° | 61.7° |
| C2 | C1 | O1 | H1 | 179.7° | 180.0° |
| C1 | C2 | C3 | H31C | 111.4° | 100.1° |
| C1 | C2 | C3 | H32C | 9.8° | 23.2° |
| C3 | C2 | N1 | H2 | 119.4° | 119.4° |
| C2 | C3 | C4 | H31C | 119.4° | 118.4° |
| C2 | C3 | C4 | H32C | 119.4° | 118.4° |
| C2 | C3 | C4 | C5 | 26.4° | 35.7° |
| C3 | C2 | N1 | C5 | 11.6° | 1.3° |
| C3 | C2 | N1 | C6 | 168.5° | 179.0° |
| C2 | C3 | H31C | H32C | 121.7° | 123.3° |
| C2 | C3 | C4 | H41C | 92.7° | 82.6° |
| C2 | C3 | C4 | H42C | 145.5° | 153.6° |
| N1 | C2 | C3 | C4 | 9.8° | 22.2° |
| C2 | N1 | C5 | C4 | 28.0° | 24.4° |
| C2 | N1 | C5 | C6 | 179.9° | 179.8° |
| C2 | N1 | C6 | O6 | 0.4° | 0.1° |
| C2 | N1 | C6 | C7 | 178.6° | 180.0° |
| N1 | C2 | C3 | H31C | 129.2° | 140.5° |
| N1 | C2 | C3 | H32C | 109.6° | 96.2° |
| C2 | N1 | C5 | H51C | 146.9° | 94.5° |
| C2 | N1 | C5 | H52C | 91.0° | 143.1° |
| C3 | C4 | C5 | H41C | 119.1° | 118.1° |
| C3 | C4 | C5 | H42C | 119.1° | 118.0° |
| C3 | C4 | C5 | N1 | 32.6° | 37.3° |
| C4 | C3 | C2 | H2 | 109.9° | 97.2° |
| C4 | C3 | H31C | H32C | 121.7° | 123.2° |
| C3 | C4 | H41C | H42C | 122.5° | 123.9° |
| C3 | C4 | C5 | H51C | 151.5° | 81.8° |
| C3 | C4 | C5 | H52C | 86.4° | 155.9° |
| C4 | C5 | N1 | H51C | 119.0° | 118.9° |
| C4 | C5 | N1 | H52C | 118.9° | 118.7° |
| C4 | C5 | N1 | C6 | 152.1° | 155.8° |
| C5 | C4 | C3 | H31C | 145.8° | 154.1° |
| C5 | C4 | C3 | H32C | 93.0° | 82.7° |
| C5 | C4 | H41C | H42C | 122.5° | 123.9° |
| C4 | C5 | H51C | H52C | 123.1° | 122.3° |
| C5 | N1 | C6 | O6 | 179.6° | 179.7° |
| C5 | N1 | C6 | C7 | 1.3° | 0.3° |
| C5 | N1 | C2 | H2 | 130.9° | 120.7° |
| N1 | C5 | C4 | H41C | 86.6° | 80.8° |
| N1 | C5 | C4 | H42C | 151.7° | 155.3° |
| N1 | C5 | H51C | H52C | 123.1° | 122.3° |
| N1 | C6 | O6 | C7 | 178.3° | 179.9° |
| N1 | C6 | C7 | C8 | 138.9° | 180.0° |
| C6 | N1 | C2 | H2 | 49.1° | 59.6° |
| C6 | N1 | C5 | H51C | 33.2° | 85.3° |
| C6 | N1 | C5 | H52C | 89.0° | 37.1° |
| N1 | C6 | C7 | H71C | 100.7° | 60.1° |
| N1 | C6 | C7 | H72C | 18.5° | 60.0° |
| O6 | C6 | C7 | C8 | 39.4° | 0.0° |
| O6 | C6 | C7 | H71C | 81.0° | 120.0° |
| O6 | C6 | C7 | H72C | 159.8° | 120.0° |
| C6 | C7 | C8 | H71C | 120.4° | 120.0° |
| C6 | C7 | C8 | H72C | 120.4° | 120.0° |
| C6 | C7 | C8 | C9 | 27.7° | 180.0° |
| C6 | C7 | H71C | H72C | 118.8° | 120.0° |
| C6 | C7 | C8 | H81C | 93.2° | 60.0° |
| C6 | C7 | C8 | H82C | 148.5° | 60.0° |
| C7 | C8 | C9 | H81C | 120.8° | 120.1° |
| C7 | C8 | C9 | H82C | 120.8° | 120.0° |
| C7 | C8 | C9 | C10 | 156.6° | 180.0° |
| C8 | C7 | H71C | H72C | 118.8° | 120.0° |
| C7 | C8 | H81C | H82C | 117.5° | 120.0° |
| C7 | C8 | C9 | H91C | 35.6° | 60.0° |
| C7 | C8 | C9 | H92C | 82.3° | 60.1° |
| C8 | C9 | C10 | H91C | 121.0° | 120.0° |
| C8 | C9 | C10 | H92C | 121.0° | 120.0° |
| C8 | C9 | C10 | C11 | 47.9° | 180.0° |
| C9 | C8 | C7 | H71C | 148.1° | 60.0° |
| C9 | C8 | C7 | H72C | 92.7° | 60.1° |
| C9 | C8 | H81C | H82C | 117.5° | 120.0° |
| C8 | C9 | H91C | H92C | 116.8° | 120.0° |
| C8 | C9 | C10 | H101 | 73.1° | 60.0° |
| C8 | C9 | C10 | H102 | 168.8° | 60.0° |
| C9 | C10 | C11 | H101 | 121.0° | 120.0° |
| C9 | C10 | C11 | H102 | 120.9° | 120.0° |
| C9 | C10 | C11 | O11 | 80.3° | 0.0° |
| C9 | C10 | C11 | N2 | 98.9° | 180.0° |
| C10 | C9 | C8 | H81C | 82.6° | 59.9° |
| C10 | C9 | C8 | H82C | 35.8° | 60.0° |
| C10 | C9 | H91C | H92C | 116.9° | 120.0° |
| C9 | C10 | H101 | H102 | 117.1° | 120.0° |
| C10 | C11 | O11 | N2 | 179.2° | 179.9° |
| C10 | C11 | N2 | C12 | 178.2° | 0.1° |
| C10 | C11 | N2 | C15 | 2.6° | 179.7° |
| C11 | C10 | C9 | H91C | 168.9° | 60.0° |
| C11 | C10 | C9 | H92C | 73.1° | 60.0° |
| C11 | C10 | H101 | H102 | 117.0° | 120.0° |
| O11 | C11 | N2 | C12 | 2.6° | 180.0° |
| O11 | C11 | N2 | C15 | 178.2° | 0.3° |
| O11 | C11 | C10 | H101 | 40.7° | 120.0° |
| O11 | C11 | C10 | H102 | 158.8° | 119.9° |
| C11 | N2 | C12 | C15 | 176.3° | 179.7° |
| C11 | N2 | C12 | C13 | 137.8° | 155.8° |
| C11 | N2 | C15 | C14 | 140.9° | 179.0° |
| C11 | N2 | C15 | C16 | 98.9° | 61.6° |
| N2 | C11 | C10 | H101 | 140.1° | 60.1° |
| N2 | C11 | C10 | H102 | 22.0° | 60.0° |
| C11 | N2 | C12 | H121 | 103.4° | 85.2° |
| C11 | N2 | C12 | H122 | 19.0° | 37.1° |
| C11 | N2 | C15 | H15 | 25.4° | 59.4° |
| N2 | C12 | C13 | H121 | 118.8° | 118.8° |
| N2 | C12 | C13 | H122 | 118.7° | 118.7° |
| N2 | C12 | C13 | C14 | 25.1° | 37.3° |
| C12 | N2 | C15 | C14 | 35.2° | 1.3° |
| C12 | N2 | C15 | C16 | 85.1° | 118.1° |
| N2 | C12 | H121 | H122 | 123.5° | 122.3° |
| C12 | N2 | C15 | H15 | 150.7° | 120.9° |
| N2 | C12 | C13 | H131 | 144.5° | 80.8° |
| N2 | C12 | C13 | H132 | 94.2° | 155.3° |
| C15 | N2 | C12 | C13 | 38.5° | 24.5° |
| N2 | C15 | C14 | C13 | 16.8° | 22.2° |
| N2 | C15 | C14 | C16 | 124.5° | 119.4° |
| N2 | C15 | C14 | H15 | 116.1° | 119.5° |
| N2 | C15 | C16 | H15 | 124.7° | 121.0° |
| N2 | C15 | C16 | O16 | 155.8° | 0.1° |
| N2 | C15 | C16 | O17 | 24.8° | 180.0° |
| C15 | N2 | C12 | H121 | 80.3° | 94.5° |
| C15 | N2 | C12 | H122 | 157.2° | 143.2° |
| N2 | C15 | C14 | H141 | 136.3° | 140.5° |
| N2 | C15 | C14 | H142 | 102.8° | 96.4° |
| C12 | C13 | C14 | H131 | 119.4° | 118.2° |
| C12 | C13 | C14 | H132 | 119.4° | 118.0° |
| C12 | C13 | C14 | C15 | 5.2° | 35.7° |
| C13 | C12 | H121 | H122 | 123.6° | 122.4° |
| C12 | C13 | H131 | H132 | 121.8° | 123.9° |
| C12 | C13 | C14 | H141 | 114.3° | 154.0° |
| C12 | C13 | C14 | H142 | 124.7° | 82.7° |
| C13 | C14 | C15 | H141 | 119.5° | 118.4° |
| C13 | C14 | C15 | H142 | 119.5° | 118.6° |
| C13 | C14 | C15 | C16 | 107.8° | 141.6° |
| C14 | C13 | C12 | H121 | 93.6° | 81.5° |
| C14 | C13 | C12 | H122 | 143.9° | 156.1° |
| C13 | C14 | C15 | H15 | 132.9° | 97.3° |
| C14 | C13 | H131 | H132 | 121.8° | 123.9° |
| C13 | C14 | H141 | H142 | 121.5° | 123.4° |
| C14 | C15 | C16 | H15 | 119.3° | 121.2° |
| C14 | C15 | C16 | O16 | 39.8° | 117.8° |
| C14 | C15 | C16 | O17 | 140.8° | 62.2° |
| C15 | C14 | C13 | H131 | 124.6° | 82.6° |
| C15 | C14 | C13 | H132 | 114.2° | 153.6° |
| C15 | C14 | H141 | H142 | 121.4° | 123.1° |
| C15 | C16 | O16 | O17 | 179.4° | 180.0° |
| C16 | C15 | C14 | H141 | 11.7° | 100.0° |
| C16 | C15 | C14 | H142 | 132.7° | 23.1° |
| C15 | C16 | O17 | H17 | 179.4° | 180.0° |
| O16 | C16 | C15 | H15 | 79.6° | 121.1° |
| O16 | C16 | O17 | H17 | 0.0° | 0.0° |
| O17 | C16 | C15 | H15 | 99.9° | 59.0° |
| H2 | C2 | C3 | H31C | 9.5° | 21.2° |
| H2 | C2 | C3 | H32C | 130.7° | 144.4° |
| H31C | C3 | C4 | H41C | 26.7° | 35.8° |
| H31C | C3 | C4 | H42C | 95.1° | 88.0° |
| H32C | C3 | C4 | H41C | 147.9° | 159.0° |
| H32C | C3 | C4 | H42C | 26.1° | 35.2° |
| H41C | C4 | C5 | H51C | 32.3° | 160.0° |
| H41C | C4 | C5 | H52C | 154.5° | 37.8° |
| H42C | C4 | C5 | H51C | 89.4° | 36.1° |
| H42C | C4 | C5 | H52C | 32.7° | 86.1° |
| H71C | C7 | C8 | H81C | 27.2° | 179.9° |
| H71C | C7 | C8 | H82C | 91.1° | 60.0° |
| H72C | C7 | C8 | H81C | 146.4° | 60.0° |
| H72C | C7 | C8 | H82C | 28.1° | 180.0° |
| H81C | C8 | C9 | H91C | 156.4° | 179.9° |
| H81C | C8 | C9 | H92C | 38.5° | 60.0° |
| H82C | C8 | C9 | H91C | 85.2° | 60.0° |
| H82C | C8 | C9 | H92C | 156.9° | 180.0° |
| H91C | C9 | C10 | H101 | 47.9° | 180.0° |
| H91C | C9 | C10 | H102 | 70.2° | 60.0° |
| H92C | C9 | C10 | H101 | 165.9° | 60.0° |
| H92C | C9 | C10 | H102 | 47.8° | 180.0° |
| H121 | C12 | C13 | H131 | 25.8° | 160.3° |
| H121 | C12 | C13 | H132 | 147.0° | 36.4° |
| H122 | C12 | C13 | H131 | 96.7° | 37.9° |
| H122 | C12 | C13 | H132 | 24.5° | 86.0° |
| H15 | C15 | C14 | H141 | 107.6° | 21.1° |
| H15 | C15 | C14 | H142 | 13.4° | 144.1° |
| H131 | C13 | C14 | H141 | 5.1° | 35.8° |
| H131 | C13 | C14 | H142 | 115.9° | 159.0° |
| H132 | C13 | C14 | H141 | 126.3° | 88.0° |
| H132 | C13 | C14 | H142 | 5.3° | 35.2° |
