5GH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.33Å | 1.54Å | |
| C14 | C10 | sing | 1.51Å | 1.56Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | N | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| O1 | C13 | doub | 1.21Å | 1.23Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C26 | sing | 1.54Å | 1.54Å | |
| C13 | N1 | sing | 1.34Å | 1.33Å | |
| C26 | C25 | sing | 1.54Å | 1.53Å | |
| N1 | C25 | sing | 1.47Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N | C1 | sing | 1.35Å | 9.91Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C3 | C4 | sing | 1.51Å | 0.00Å | |
| C4 | C5 | sing | 1.38Å | 0.00Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 0.00Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 0.00Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 0.00Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 0.00Å | Aromatic |
| C9 | C4 | doub | 1.38Å | 0.00Å | Aromatic |
| C1 | O2 | doub | 1.21Å | 0.00Å | |
| C15 | C16 | sing | 1.47Å | 12.16Å | |
| C16 | O3 | sing | 1.35Å | 0.00Å | |
| O3 | C18 | sing | 1.45Å | 0.00Å | |
| C18 | C19 | sing | 1.53Å | 0.00Å | |
| C16 | O4 | doub | 1.22Å | 0.00Å | |
| C2 | H3 | sing | 1.09Å | 0.00Å | |
| C2 | H4 | sing | 1.09Å | 0.00Å | |
| C3 | H14 | sing | 1.09Å | 0.00Å | |
| C3 | H16 | sing | 1.09Å | 0.00Å | |
| C5 | H17 | sing | 1.08Å | 0.00Å | |
| C6 | H18 | sing | 1.08Å | 0.00Å | |
| C7 | H19 | sing | 1.08Å | 0.00Å | |
| C8 | H20 | sing | 1.08Å | 0.00Å | |
| C9 | H21 | sing | 1.08Å | 0.00Å | |
| C18 | H22 | sing | 1.09Å | 0.00Å | |
| C18 | H23 | sing | 1.09Å | 0.00Å | |
| C19 | H24 | sing | 1.09Å | 0.00Å | |
| C19 | H25 | sing | 1.09Å | 0.00Å | |
| C19 | H26 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C10 | 112.7° | 120.0° |
| C15 | C14 | H13 | 123.6° | 120.0° |
| C14 | C15 | H15 | 140.0° | 120.0° |
| C14 | C15 | C16 | 79.9° | 120.0° |
| C14 | C10 | C11 | 112.8° | 109.5° |
| C14 | C10 | N | 107.9° | 109.5° |
| C14 | C10 | H5 | 107.8° | 109.5° |
| C10 | C14 | H13 | 123.7° | 120.0° |
| C11 | C10 | N | 111.4° | 109.5° |
| C10 | C11 | C12 | 115.7° | 109.5° |
| C11 | C10 | H5 | 107.8° | 109.5° |
| C10 | C11 | H6 | 107.9° | 109.5° |
| C10 | C11 | H7 | 107.9° | 109.5° |
| C10 | N | H2 | 124.1° | 119.9° |
| N | C10 | H5 | 109.0° | 109.4° |
| C10 | N | C1 | 111.7° | 120.0° |
| C11 | C12 | C13 | 112.3° | 110.5° |
| C11 | C12 | C26 | 115.8° | 110.3° |
| C12 | C11 | H6 | 107.9° | 109.5° |
| C12 | C11 | H7 | 107.9° | 109.4° |
| C11 | C12 | H8 | 108.1° | 110.5° |
| O1 | C13 | C12 | 126.1° | 125.0° |
| O1 | C13 | N1 | 125.5° | 124.9° |
| C13 | C12 | C26 | 103.9° | 104.3° |
| C12 | C13 | N1 | 108.5° | 110.1° |
| C13 | C12 | H8 | 108.4° | 110.4° |
| C12 | C26 | C25 | 104.0° | 101.9° |
| C26 | C12 | H8 | 108.1° | 110.7° |
| C12 | C26 | H11 | 110.8° | 110.9° |
| C12 | C26 | H12 | 110.8° | 111.0° |
| C13 | N1 | C25 | 114.8° | 111.3° |
| C13 | N1 | H1 | 122.6° | 124.4° |
| C26 | C25 | N1 | 103.9° | 105.5° |
| C26 | C25 | H9 | 110.9° | 110.2° |
| C26 | C25 | H10 | 110.9° | 110.4° |
| C25 | C26 | H11 | 110.8° | 111.2° |
| C25 | C26 | H12 | 110.8° | 110.6° |
| C25 | N1 | H1 | 122.6° | 124.3° |
| N1 | C25 | H9 | 110.9° | 110.3° |
| N1 | C25 | H10 | 110.9° | 110.2° |
| H2 | N | C1 | 124.1° | 120.1° |
| H6 | C11 | H7 | 109.4° | 109.5° |
| H9 | C25 | H10 | 109.4° | 110.2° |
| H11 | C26 | H12 | 109.5° | 110.9° |
| H15 | C15 | C16 | 140.0° | 120.0° |
| N | C1 | C2 | 90.0° | 119.9° |
| N | C1 | O2 | 90.0° | 120.0° |
| C1 | C2 | C3 | 90.0° | 109.5° |
| C2 | C1 | O2 | 90.0° | 120.1° |
| C1 | C2 | H3 | 90.0° | 109.5° |
| C1 | C2 | H4 | 90.0° | 109.5° |
| C2 | C3 | C4 | 90.0° | 109.5° |
| C3 | C2 | H3 | 90.0° | 109.4° |
| C3 | C2 | H4 | 90.0° | 109.4° |
| C2 | C3 | H14 | 90.0° | 109.5° |
| C2 | C3 | H16 | 90.0° | 109.5° |
| C3 | C4 | C5 | 90.0° | 120.0° |
| C3 | C4 | C9 | 90.0° | 120.0° |
| C4 | C3 | H14 | 90.0° | 109.5° |
| C4 | C3 | H16 | 90.0° | 109.5° |
| C4 | C5 | C6 | 90.0° | 120.0° |
| C5 | C4 | C9 | 90.0° | 120.0° |
| C4 | C5 | H17 | 90.0° | 120.0° |
| C5 | C6 | C7 | 90.0° | 120.0° |
| C6 | C5 | H17 | 90.0° | 120.0° |
| C5 | C6 | H18 | 90.0° | 119.9° |
| C6 | C7 | C8 | 90.0° | 120.0° |
| C7 | C6 | H18 | 90.0° | 120.0° |
| C6 | C7 | H19 | 90.0° | 120.0° |
| C7 | C8 | C9 | 90.0° | 120.0° |
| C8 | C7 | H19 | 90.0° | 120.0° |
| C7 | C8 | H20 | 90.0° | 120.0° |
| C8 | C9 | C4 | 90.0° | 120.0° |
| C9 | C8 | H20 | 90.0° | 120.0° |
| C8 | C9 | H21 | 90.0° | 120.0° |
| C4 | C9 | H21 | 90.0° | 120.0° |
| C15 | C16 | O3 | 90.0° | 120.0° |
| C15 | C16 | O4 | 90.0° | 120.0° |
| C16 | O3 | C18 | 90.0° | 117.0° |
| O3 | C16 | O4 | 90.0° | 120.0° |
| O3 | C18 | C19 | 90.0° | 109.5° |
| O3 | C18 | H22 | 90.0° | 109.4° |
| O3 | C18 | H23 | 90.0° | 109.5° |
| C19 | C18 | H22 | 90.0° | 109.5° |
| C19 | C18 | H23 | 90.0° | 109.5° |
| C18 | C19 | H24 | 90.0° | 109.4° |
| C18 | C19 | H25 | 90.0° | 109.5° |
| C18 | C19 | H26 | 90.0° | 109.5° |
| H3 | C2 | H4 | 90.0° | 109.5° |
| H14 | C3 | H16 | 90.0° | 109.5° |
| H22 | C18 | H23 | 90.0° | 109.4° |
| H24 | C19 | H25 | 90.0° | 109.5° |
| H24 | C19 | H26 | 90.0° | 109.5° |
| H25 | C19 | H26 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C10 | H13 | 180.0° | 179.9° |
| C15 | C14 | C10 | C11 | 170.4° | 161.5° |
| C15 | C14 | C10 | N | 47.0° | 78.5° |
| C15 | C14 | C10 | H5 | 70.7° | 41.5° |
| C14 | C15 | H15 | C16 | 179.9° | 179.9° |
| C14 | C15 | C16 | O3 | 90.0° | 177.7° |
| C14 | C15 | C16 | O4 | 90.0° | 2.2° |
| C14 | C10 | C11 | N | 121.5° | 120.1° |
| C14 | C10 | C11 | H5 | 118.9° | 120.0° |
| C14 | C10 | N | H5 | 116.8° | 120.0° |
| C14 | C10 | C11 | C12 | 154.0° | 61.2° |
| C14 | C10 | N | H2 | 22.1° | 27.1° |
| C14 | C10 | C11 | H6 | 33.0° | 178.7° |
| C14 | C10 | C11 | H7 | 85.1° | 58.7° |
| C10 | C14 | C15 | H15 | 176.6° | 173.4° |
| C14 | C10 | N | C1 | 157.8° | 153.0° |
| C10 | C14 | C15 | C16 | 3.5° | 6.5° |
| C11 | C10 | N | H5 | 118.8° | 120.0° |
| C10 | C11 | C12 | H6 | 120.9° | 120.0° |
| C10 | C11 | C12 | H7 | 120.9° | 120.0° |
| C10 | C11 | C12 | C13 | 161.6° | 63.8° |
| C10 | C11 | C12 | C26 | 42.4° | 178.5° |
| C11 | C10 | N | H2 | 102.2° | 93.0° |
| C10 | C11 | H6 | H7 | 117.1° | 120.0° |
| C10 | C11 | C12 | H8 | 78.9° | 58.7° |
| C11 | C10 | C14 | H13 | 9.6° | 18.7° |
| C11 | C10 | N | C1 | 77.8° | 87.0° |
| N | C10 | C11 | C12 | 32.4° | 178.7° |
| C10 | N | H2 | C1 | 180.0° | 179.9° |
| N | C10 | C11 | H6 | 88.5° | 58.7° |
| N | C10 | C11 | H7 | 153.4° | 61.3° |
| N | C10 | C14 | H13 | 133.0° | 101.4° |
| C10 | N | C1 | C2 | 90.0° | 174.7° |
| C10 | N | C1 | O2 | 90.0° | 5.4° |
| C11 | C12 | C13 | O1 | 40.3° | 77.6° |
| C11 | C12 | C13 | C26 | 125.9° | 118.5° |
| C11 | C12 | C13 | H8 | 119.3° | 122.6° |
| C11 | C12 | C26 | H8 | 121.4° | 122.6° |
| C11 | C12 | C13 | N1 | 139.9° | 102.4° |
| C11 | C12 | C26 | C25 | 144.9° | 94.1° |
| C12 | C11 | C10 | H5 | 87.2° | 58.8° |
| C12 | C11 | H6 | H7 | 117.2° | 120.0° |
| C11 | C12 | C26 | H11 | 25.7° | 24.3° |
| C11 | C12 | C26 | H12 | 96.0° | 148.1° |
| O1 | C13 | C12 | N1 | 179.7° | 180.0° |
| O1 | C13 | C12 | C26 | 166.2° | 163.9° |
| O1 | C13 | N1 | C25 | 179.8° | 179.6° |
| O1 | C13 | N1 | H1 | 0.2° | 0.7° |
| O1 | C13 | C12 | H8 | 79.0° | 45.0° |
| C13 | C12 | C26 | H8 | 115.0° | 118.8° |
| C13 | C12 | C26 | C25 | 21.2° | 24.5° |
| C12 | C13 | N1 | C25 | 0.4° | 0.4° |
| C12 | C13 | N1 | H1 | 179.6° | 179.3° |
| C13 | C12 | C11 | H6 | 77.5° | 56.2° |
| C13 | C12 | C11 | H7 | 40.7° | 176.2° |
| C13 | C12 | C26 | H11 | 97.9° | 142.9° |
| C13 | C12 | C26 | H12 | 140.4° | 93.3° |
| C26 | C12 | C13 | N1 | 14.1° | 16.0° |
| C12 | C26 | C25 | H11 | 119.1° | 118.2° |
| C12 | C26 | C25 | H12 | 119.1° | 118.1° |
| C12 | C26 | C25 | N1 | 20.9° | 25.1° |
| C26 | C12 | C11 | H6 | 163.4° | 58.5° |
| C26 | C12 | C11 | H7 | 78.5° | 61.5° |
| C12 | C26 | C25 | H9 | 140.1° | 144.1° |
| C12 | C26 | C25 | H10 | 98.2° | 93.9° |
| C12 | C26 | H11 | H12 | 122.5° | 123.8° |
| C13 | N1 | C25 | C26 | 13.5° | 16.8° |
| C13 | N1 | C25 | H1 | 180.0° | 179.7° |
| N1 | C13 | C12 | H8 | 100.7° | 135.0° |
| C13 | N1 | C25 | H9 | 132.6° | 135.8° |
| C13 | N1 | C25 | H10 | 105.6° | 102.4° |
| C26 | C25 | N1 | H9 | 119.1° | 119.0° |
| C26 | C25 | N1 | H10 | 119.1° | 119.1° |
| C26 | C25 | N1 | H1 | 166.5° | 162.9° |
| C25 | C26 | C12 | H8 | 93.8° | 143.3° |
| C26 | C25 | H9 | H10 | 122.6° | 122.1° |
| C25 | C26 | H11 | H12 | 122.6° | 123.5° |
| N1 | C25 | H9 | H10 | 122.6° | 121.9° |
| N1 | C25 | C26 | H11 | 98.2° | 143.3° |
| N1 | C25 | C26 | H12 | 140.1° | 93.0° |
| H1 | N1 | C25 | H9 | 47.4° | 43.9° |
| H1 | N1 | C25 | H10 | 74.4° | 77.9° |
| H2 | N | C10 | H5 | 139.0° | 147.0° |
| H2 | N | C1 | C2 | 90.0° | 5.4° |
| H2 | N | C1 | O2 | 90.0° | 174.6° |
| H5 | C10 | C11 | H6 | 151.9° | 61.3° |
| H5 | C10 | C11 | H7 | 33.8° | 178.7° |
| H5 | C10 | C14 | H13 | 109.3° | 138.7° |
| H5 | C10 | N | C1 | 41.0° | 33.0° |
| H6 | C11 | C12 | H8 | 42.0° | 178.8° |
| H7 | C11 | C12 | H8 | 160.2° | 61.2° |
| H8 | C12 | C26 | H11 | 147.1° | 98.3° |
| H8 | C12 | C26 | H12 | 25.4° | 25.4° |
| H9 | C25 | C26 | H11 | 21.0° | 97.6° |
| H9 | C25 | C26 | H12 | 100.8° | 26.0° |
| H10 | C25 | C26 | H11 | 142.7° | 24.3° |
| H10 | C25 | C26 | H12 | 20.9° | 148.0° |
| H13 | C14 | C15 | H15 | 3.4° | 6.7° |
| H13 | C14 | C15 | C16 | 176.5° | 173.4° |
| H15 | C15 | C16 | O3 | 90.0° | 2.4° |
| H15 | C15 | C16 | O4 | 90.0° | 177.7° |
| N | C1 | C2 | O2 | 90.0° | 180.0° |
| N | C1 | C2 | C3 | 90.0° | 180.0° |
| N | C1 | C2 | H3 | 90.0° | 60.0° |
| N | C1 | C2 | H4 | 90.0° | 60.0° |
| C1 | C2 | C3 | H3 | 90.0° | 120.0° |
| C1 | C2 | C3 | H4 | 90.0° | 120.0° |
| C1 | C2 | C3 | C4 | 90.0° | 180.0° |
| C1 | C2 | H3 | H4 | 90.0° | 120.1° |
| C1 | C2 | C3 | H14 | 90.0° | 60.0° |
| C1 | C2 | C3 | H16 | 90.0° | 60.0° |
| C2 | C3 | C4 | H14 | 90.0° | 120.0° |
| C2 | C3 | C4 | H16 | 90.0° | 120.0° |
| C2 | C3 | C4 | C5 | 90.0° | 90.0° |
| C2 | C3 | C4 | C9 | 90.0° | 90.3° |
| C3 | C2 | C1 | O2 | 90.0° | 0.0° |
| C3 | C2 | H3 | H4 | 90.0° | 119.9° |
| C2 | C3 | H14 | H16 | 90.0° | 120.0° |
| C3 | C4 | C5 | C9 | 90.0° | 179.8° |
| C3 | C4 | C5 | C6 | 90.0° | 180.0° |
| C3 | C4 | C9 | C8 | 90.0° | 179.8° |
| C4 | C3 | C2 | H3 | 90.0° | 60.0° |
| C4 | C3 | C2 | H4 | 90.0° | 60.0° |
| C4 | C3 | H14 | H16 | 90.0° | 120.0° |
| C3 | C4 | C5 | H17 | 90.0° | 0.0° |
| C3 | C4 | C9 | H21 | 90.0° | 0.2° |
| C4 | C5 | C6 | H17 | 90.0° | 180.0° |
| C4 | C5 | C6 | C7 | 90.0° | 0.0° |
| C5 | C4 | C9 | C8 | 90.0° | 0.5° |
| C5 | C4 | C3 | H14 | 90.0° | 30.0° |
| C5 | C4 | C3 | H16 | 90.0° | 150.0° |
| C4 | C5 | C6 | H18 | 90.0° | 180.0° |
| C5 | C4 | C9 | H21 | 90.0° | 180.0° |
| C5 | C6 | C7 | H18 | 90.0° | 180.0° |
| C5 | C6 | C7 | C8 | 90.0° | 0.0° |
| C6 | C5 | C4 | C9 | 90.0° | 0.3° |
| C5 | C6 | C7 | H19 | 90.0° | 180.0° |
| C6 | C7 | C8 | H19 | 90.0° | 180.0° |
| C6 | C7 | C8 | C9 | 90.0° | 0.2° |
| C7 | C6 | C5 | H17 | 90.0° | 180.0° |
| C6 | C7 | C8 | H20 | 90.0° | 180.0° |
| C7 | C8 | C9 | H20 | 90.0° | 179.9° |
| C7 | C8 | C9 | C4 | 90.0° | 0.4° |
| C8 | C7 | C6 | H18 | 90.0° | 180.0° |
| C7 | C8 | C9 | H21 | 90.0° | 180.0° |
| C8 | C9 | C4 | H21 | 90.0° | 179.6° |
| C9 | C8 | C7 | H19 | 90.0° | 179.8° |
| C9 | C4 | C3 | H14 | 90.0° | 149.7° |
| C9 | C4 | C3 | H16 | 90.0° | 29.7° |
| C9 | C4 | C5 | H17 | 90.0° | 179.8° |
| C4 | C9 | C8 | H20 | 90.0° | 179.7° |
| O2 | C1 | C2 | H3 | 90.0° | 120.0° |
| O2 | C1 | C2 | H4 | 90.0° | 120.0° |
| C15 | C16 | O3 | O4 | 90.0° | 179.9° |
| C15 | C16 | O3 | C18 | 90.0° | 180.0° |
| C16 | O3 | C18 | C19 | 90.0° | 180.0° |
| C16 | O3 | C18 | H22 | 90.0° | 60.0° |
| C16 | O3 | C18 | H23 | 90.0° | 59.9° |
| O3 | C18 | C19 | H22 | 90.0° | 120.0° |
| O3 | C18 | C19 | H23 | 90.0° | 120.1° |
| C18 | O3 | C16 | O4 | 90.0° | 0.1° |
| O3 | C18 | H22 | H23 | 90.0° | 119.9° |
| O3 | C18 | C19 | H24 | 90.0° | 60.0° |
| O3 | C18 | C19 | H25 | 90.0° | 60.0° |
| O3 | C18 | C19 | H26 | 90.0° | 179.9° |
| C19 | C18 | H22 | H23 | 90.0° | 120.0° |
| C18 | C19 | H24 | H25 | 90.0° | 120.0° |
| C18 | C19 | H24 | H26 | 90.0° | 120.0° |
| C18 | C19 | H25 | H26 | 90.0° | 120.0° |
| H3 | C2 | C3 | H14 | 90.0° | 180.0° |
| H3 | C2 | C3 | H16 | 90.0° | 60.0° |
| H4 | C2 | C3 | H14 | 90.0° | 60.0° |
| H4 | C2 | C3 | H16 | 90.0° | 180.0° |
| H17 | C5 | C6 | H18 | 90.0° | 0.0° |
| H18 | C6 | C7 | H19 | 90.0° | 0.0° |
| H19 | C7 | C8 | H20 | 90.0° | 0.1° |
| H20 | C8 | C9 | H21 | 90.0° | 0.1° |
| H22 | C18 | C19 | H24 | 90.0° | 180.0° |
| H22 | C18 | C19 | H25 | 90.0° | 60.0° |
| H22 | C18 | C19 | H26 | 90.0° | 60.0° |
| H23 | C18 | C19 | H24 | 90.0° | 60.0° |
| H23 | C18 | C19 | H25 | 90.0° | 180.0° |
| H23 | C18 | C19 | H26 | 90.0° | 60.0° |
| H24 | C19 | H25 | H26 | 90.0° | 120.1° |
