H1G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C15 | sing | 1.46Å | 1.46Å | |
| N3 | C16 | sing | 1.33Å | 1.39Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| O2 | C16 | doub | 1.21Å | 1.22Å | |
| C16 | C17 | sing | 1.50Å | 1.55Å | |
| C14 | N2 | sing | 1.47Å | 1.45Å | |
| C17 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C13 | sing | 1.35Å | 1.39Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| C12 | O1 | sing | 1.43Å | 1.41Å | |
| O1 | C9 | sing | 1.36Å | 1.37Å | |
| C9 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.35Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| O4 | C6 | doub | 1.21Å | 1.23Å | |
| C | O | sing | 1.43Å | 1.43Å | |
| C10 | N1 | doub | 1.32Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N | sing | 1.35Å | 1.40Å | |
| C6 | C5 | sing | 1.51Å | 1.47Å | |
| C7 | N | sing | 1.40Å | 1.35Å | |
| C7 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.37Å | |
| C1 | C2 | doub | 1.39Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.48Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C11 | sing | 1.32Å | 1.25Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N3 | C16 | 122.9° | 124.6° |
| N3 | C15 | C14 | 109.6° | 110.8° |
| C15 | N3 | H1 | 118.6° | 117.7° |
| N3 | C15 | H6 | 109.4° | 109.2° |
| N3 | C15 | H7 | 109.4° | 109.2° |
| N3 | C16 | O2 | 117.8° | 118.5° |
| N3 | C16 | C17 | 120.6° | 123.0° |
| C16 | N3 | H1 | 118.5° | 117.7° |
| C15 | C14 | N2 | 108.6° | 108.2° |
| C14 | C15 | H6 | 109.4° | 109.2° |
| C14 | C15 | H7 | 109.4° | 109.2° |
| C15 | C14 | H21 | 109.7° | 109.7° |
| C15 | C14 | H22 | 109.7° | 109.7° |
| O2 | C16 | C17 | 121.6° | 118.5° |
| C16 | C17 | N2 | 111.4° | 108.9° |
| C16 | C17 | H8 | 109.0° | 109.6° |
| C16 | C17 | H9 | 109.0° | 109.6° |
| C14 | N2 | C17 | 118.1° | 117.4° |
| C14 | N2 | C13 | 121.9° | 121.3° |
| N2 | C14 | H21 | 109.7° | 109.8° |
| N2 | C14 | H22 | 109.7° | 109.7° |
| C17 | N2 | C13 | 119.9° | 121.3° |
| N2 | C17 | H8 | 109.0° | 109.6° |
| N2 | C17 | H9 | 109.0° | 109.6° |
| N2 | C13 | C12 | 118.3° | 120.0° |
| N2 | C13 | O3 | 121.0° | 120.0° |
| C12 | C13 | O3 | 120.7° | 120.0° |
| C13 | C12 | O1 | 107.0° | 109.5° |
| C13 | C12 | H19 | 110.1° | 109.5° |
| C13 | C12 | H20 | 110.1° | 109.5° |
| C12 | O1 | C9 | 118.0° | 117.0° |
| O1 | C12 | H19 | 110.1° | 109.5° |
| O1 | C12 | H20 | 110.1° | 109.4° |
| O1 | C9 | C8 | 118.9° | 120.5° |
| O1 | C9 | C10 | 122.2° | 120.4° |
| C8 | C9 | C10 | 118.9° | 119.1° |
| C9 | C8 | C7 | 116.4° | 118.3° |
| C9 | C8 | H4 | 121.8° | 120.8° |
| C9 | C10 | N1 | 123.6° | 120.8° |
| C9 | C10 | H5 | 118.2° | 119.6° |
| C8 | C7 | N | 127.3° | 120.5° |
| C8 | C7 | C11 | 119.4° | 119.1° |
| C7 | C8 | H4 | 121.8° | 120.8° |
| O4 | C6 | N | 124.9° | 120.0° |
| O4 | C6 | C5 | 122.0° | 119.9° |
| C | O | C1 | 113.5° | 117.0° |
| O | C | H14 | 109.5° | 109.5° |
| O | C | H15 | 109.5° | 109.4° |
| O | C | H16 | 109.4° | 109.5° |
| C10 | N1 | C11 | 118.7° | 121.9° |
| N1 | C10 | H5 | 118.2° | 119.6° |
| C19 | C18 | C4 | 118.3° | 120.1° |
| C18 | C19 | C1 | 120.3° | 119.9° |
| C19 | C18 | H12 | 120.9° | 120.0° |
| C18 | C19 | H13 | 119.8° | 120.0° |
| C18 | C4 | C5 | 121.3° | 120.0° |
| C18 | C4 | C3 | 119.8° | 120.1° |
| C4 | C18 | H12 | 120.8° | 120.0° |
| C19 | C1 | O | 124.3° | 120.1° |
| C19 | C1 | C2 | 121.1° | 119.9° |
| C1 | C19 | H13 | 119.9° | 120.1° |
| N | C6 | C5 | 113.0° | 120.0° |
| C6 | N | C7 | 125.5° | 120.0° |
| C6 | N | H17 | 117.2° | 120.0° |
| C6 | C5 | C4 | 108.9° | 109.5° |
| C6 | C5 | H2 | 109.6° | 109.4° |
| C6 | C5 | H3 | 109.6° | 109.5° |
| N | C7 | C11 | 113.2° | 120.4° |
| C7 | N | H17 | 117.2° | 120.0° |
| C7 | C11 | N1 | 123.0° | 120.7° |
| C7 | C11 | H18 | 118.5° | 119.6° |
| O | C1 | C2 | 114.5° | 120.0° |
| C1 | C2 | C3 | 118.5° | 120.0° |
| C1 | C2 | H11 | 120.8° | 120.1° |
| C5 | C4 | C3 | 118.7° | 119.9° |
| C4 | C5 | H2 | 109.6° | 109.5° |
| C4 | C5 | H3 | 109.6° | 109.5° |
| C4 | C3 | C2 | 122.0° | 120.0° |
| C4 | C3 | H10 | 119.0° | 120.0° |
| N1 | C11 | H18 | 118.5° | 119.7° |
| C2 | C3 | H10 | 119.0° | 120.0° |
| C3 | C2 | H11 | 120.8° | 120.0° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.2° |
| H8 | C17 | H9 | 109.5° | 109.6° |
| H14 | C | H15 | 109.4° | 109.5° |
| H14 | C | H16 | 109.5° | 109.5° |
| H15 | C | H16 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H21 | C14 | H22 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N3 | C16 | H1 | 180.0° | 179.7° |
| N3 | C15 | C14 | H6 | 120.0° | 120.3° |
| N3 | C15 | C14 | H7 | 120.0° | 120.3° |
| C15 | N3 | C16 | O2 | 178.6° | 175.7° |
| C15 | N3 | C16 | C17 | 0.6° | 4.3° |
| N3 | C15 | C14 | N2 | 55.0° | 46.7° |
| N3 | C15 | H6 | H7 | 119.9° | 119.3° |
| N3 | C15 | C14 | H21 | 64.9° | 166.4° |
| N3 | C15 | C14 | H22 | 174.8° | 72.9° |
| C16 | N3 | C15 | C14 | 27.3° | 21.9° |
| N3 | C16 | O2 | C17 | 179.1° | 180.0° |
| N3 | C16 | C17 | N2 | 0.2° | 12.7° |
| C16 | N3 | C15 | H6 | 147.3° | 98.4° |
| C16 | N3 | C15 | H7 | 92.7° | 142.2° |
| N3 | C16 | C17 | H8 | 120.0° | 132.6° |
| N3 | C16 | C17 | H9 | 120.5° | 107.2° |
| C15 | C14 | N2 | H21 | 119.9° | 119.6° |
| C15 | C14 | N2 | H22 | 119.9° | 119.7° |
| C15 | C14 | N2 | C17 | 60.7° | 61.5° |
| C15 | C14 | N2 | C13 | 119.9° | 118.5° |
| C14 | C15 | N3 | H1 | 152.7° | 157.8° |
| C14 | C15 | H6 | H7 | 119.9° | 119.4° |
| C15 | C14 | H21 | H22 | 120.4° | 120.7° |
| O2 | C16 | C17 | N2 | 178.9° | 167.3° |
| O2 | C16 | N3 | H1 | 1.4° | 4.6° |
| O2 | C16 | C17 | H8 | 60.8° | 47.4° |
| O2 | C16 | C17 | H9 | 58.6° | 72.8° |
| C16 | C17 | N2 | C14 | 31.8° | 42.7° |
| C16 | C17 | N2 | H8 | 120.3° | 119.8° |
| C16 | C17 | N2 | H9 | 120.3° | 119.9° |
| C16 | C17 | N2 | C13 | 148.8° | 137.3° |
| C17 | C16 | N3 | H1 | 179.4° | 175.4° |
| C16 | C17 | H8 | H9 | 119.1° | 120.3° |
| C14 | N2 | C17 | C13 | 179.4° | 180.0° |
| C14 | N2 | C13 | C12 | 0.6° | 180.0° |
| C14 | N2 | C13 | O3 | 179.9° | 0.0° |
| N2 | C14 | C15 | H6 | 175.0° | 73.6° |
| N2 | C14 | C15 | H7 | 65.1° | 167.0° |
| C14 | N2 | C17 | H8 | 152.0° | 162.6° |
| C14 | N2 | C17 | H9 | 88.5° | 77.2° |
| N2 | C14 | H21 | H22 | 120.4° | 120.6° |
| C17 | N2 | C13 | C12 | 178.8° | 0.0° |
| C17 | N2 | C13 | O3 | 0.5° | 180.0° |
| N2 | C17 | H8 | H9 | 119.1° | 120.3° |
| C17 | N2 | C14 | H21 | 59.1° | 178.8° |
| C17 | N2 | C14 | H22 | 179.4° | 58.1° |
| N2 | C13 | C12 | O3 | 179.3° | 180.0° |
| N2 | C13 | C12 | O1 | 155.5° | 180.0° |
| C13 | N2 | C17 | H8 | 28.5° | 17.4° |
| C13 | N2 | C17 | H9 | 90.9° | 102.9° |
| N2 | C13 | C12 | H19 | 84.9° | 60.0° |
| N2 | C13 | C12 | H20 | 35.9° | 60.0° |
| C13 | N2 | C14 | H21 | 120.3° | 1.2° |
| C13 | N2 | C14 | H22 | 0.0° | 121.9° |
| C13 | C12 | O1 | H19 | 119.6° | 120.0° |
| C13 | C12 | O1 | H20 | 119.6° | 120.0° |
| C13 | C12 | O1 | C9 | 92.7° | 180.0° |
| C13 | C12 | H19 | H20 | 121.1° | 120.0° |
| O3 | C13 | C12 | O1 | 25.2° | 0.0° |
| O3 | C13 | C12 | H19 | 94.4° | 120.0° |
| O3 | C13 | C12 | H20 | 144.8° | 120.0° |
| C12 | O1 | C9 | C8 | 23.8° | 180.0° |
| C12 | O1 | C9 | C10 | 155.7° | 0.0° |
| O1 | C12 | H19 | H20 | 121.1° | 119.9° |
| O1 | C9 | C8 | C10 | 179.5° | 180.0° |
| O1 | C9 | C8 | C7 | 179.5° | 180.0° |
| O1 | C9 | C10 | N1 | 177.2° | 180.0° |
| O1 | C9 | C8 | H4 | 0.5° | 0.0° |
| O1 | C9 | C10 | H5 | 2.8° | 0.0° |
| C9 | O1 | C12 | H19 | 26.9° | 60.0° |
| C9 | O1 | C12 | H20 | 147.7° | 60.0° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C8 | C9 | C10 | N1 | 2.3° | 0.1° |
| C9 | C8 | C7 | N | 173.4° | 180.0° |
| C9 | C8 | C7 | C11 | 2.0° | 0.0° |
| C8 | C9 | C10 | H5 | 177.8° | 180.0° |
| C10 | C9 | C8 | C7 | 0.0° | 0.0° |
| C9 | C10 | N1 | H5 | 180.0° | 179.9° |
| C9 | C10 | N1 | C11 | 2.4° | 0.0° |
| C10 | C9 | C8 | H4 | 180.0° | 180.0° |
| C8 | C7 | N | C6 | 24.8° | 32.7° |
| C8 | C7 | N | C11 | 175.6° | 180.0° |
| C8 | C7 | C11 | N1 | 2.0° | 0.0° |
| C8 | C7 | N | H17 | 155.2° | 147.3° |
| C8 | C7 | C11 | H18 | 178.0° | 180.0° |
| O4 | C6 | N | C5 | 177.5° | 179.9° |
| O4 | C6 | N | C7 | 4.3° | 5.2° |
| O4 | C6 | C5 | C4 | 25.4° | 0.1° |
| O4 | C6 | C5 | H2 | 94.5° | 120.1° |
| O4 | C6 | C5 | H3 | 145.3° | 120.0° |
| O4 | C6 | N | H17 | 175.7° | 174.7° |
| C | O | C1 | C19 | 57.6° | 180.0° |
| C | O | C1 | C2 | 122.1° | 0.2° |
| O | C | H14 | H15 | 120.0° | 119.9° |
| O | C | H14 | H16 | 120.0° | 120.0° |
| O | C | H15 | H16 | 120.0° | 120.0° |
| C10 | N1 | C11 | C7 | 0.2° | 0.0° |
| C10 | N1 | C11 | H18 | 179.8° | 180.0° |
| C19 | C18 | C4 | H12 | 180.0° | 179.9° |
| C18 | C19 | C1 | H13 | 180.0° | 180.0° |
| C18 | C19 | C1 | O | 179.4° | 180.0° |
| C18 | C19 | C1 | C2 | 1.0° | 0.3° |
| C19 | C18 | C4 | C5 | 171.5° | 180.0° |
| C19 | C18 | C4 | C3 | 2.7° | 0.2° |
| C4 | C18 | C19 | C1 | 0.4° | 0.1° |
| C18 | C4 | C5 | C6 | 120.4° | 90.2° |
| C18 | C4 | C5 | C3 | 174.3° | 179.7° |
| C18 | C4 | C3 | C2 | 3.9° | 0.3° |
| C18 | C4 | C5 | H2 | 0.5° | 29.7° |
| C18 | C4 | C5 | H3 | 119.7° | 149.7° |
| C18 | C4 | C3 | H10 | 176.1° | 179.8° |
| C4 | C18 | C19 | H13 | 179.6° | 180.0° |
| C19 | C1 | O | C2 | 179.7° | 179.7° |
| C19 | C1 | C2 | C3 | 0.1° | 0.2° |
| C19 | C1 | C2 | H11 | 179.9° | 179.7° |
| C1 | C19 | C18 | H12 | 179.6° | 179.9° |
| C6 | N | C7 | H17 | 180.0° | 180.0° |
| C6 | N | C7 | C11 | 150.8° | 147.3° |
| N | C6 | C5 | C4 | 157.0° | 180.0° |
| N | C6 | C5 | H2 | 83.0° | 60.0° |
| N | C6 | C5 | H3 | 37.1° | 59.9° |
| C5 | C6 | N | C7 | 178.2° | 174.7° |
| C6 | C5 | C4 | H2 | 119.9° | 119.9° |
| C6 | C5 | C4 | H3 | 119.9° | 120.1° |
| C6 | C5 | C4 | C3 | 65.3° | 90.0° |
| C6 | C5 | H2 | H3 | 120.2° | 120.0° |
| C5 | C6 | N | H17 | 1.8° | 5.3° |
| N | C7 | C11 | N1 | 174.0° | 180.0° |
| N | C7 | C8 | H4 | 6.6° | 0.0° |
| N | C7 | C11 | H18 | 6.0° | 0.0° |
| C7 | C11 | N1 | H18 | 180.0° | 180.0° |
| C11 | C7 | C8 | H4 | 178.0° | 180.0° |
| C11 | C7 | N | H17 | 29.2° | 32.7° |
| O | C1 | C2 | C3 | 179.6° | 180.0° |
| O | C1 | C2 | H11 | 0.4° | 0.0° |
| O | C1 | C19 | H13 | 0.6° | 0.0° |
| C1 | O | C | H14 | 180.0° | 180.0° |
| C1 | O | C | H15 | 60.0° | 60.0° |
| C1 | O | C | H16 | 60.0° | 59.9° |
| C1 | C2 | C3 | C4 | 2.5° | 0.1° |
| C1 | C2 | C3 | H11 | 180.0° | 180.0° |
| C1 | C2 | C3 | H10 | 177.5° | 180.0° |
| C2 | C1 | C19 | H13 | 179.0° | 179.8° |
| C5 | C4 | C3 | C2 | 170.5° | 180.0° |
| C4 | C5 | H2 | H3 | 120.3° | 120.0° |
| C5 | C4 | C3 | H10 | 9.5° | 0.0° |
| C5 | C4 | C18 | H12 | 8.5° | 0.1° |
| C4 | C3 | C2 | H10 | 180.0° | 180.0° |
| C3 | C4 | C5 | H2 | 174.8° | 150.0° |
| C3 | C4 | C5 | H3 | 54.6° | 30.0° |
| C4 | C3 | C2 | H11 | 177.5° | 180.0° |
| C3 | C4 | C18 | H12 | 177.3° | 179.7° |
| C11 | N1 | C10 | H5 | 177.6° | 180.0° |
| H1 | N3 | C15 | H6 | 32.7° | 81.9° |
| H1 | N3 | C15 | H7 | 87.3° | 37.5° |
| H6 | C15 | C14 | H21 | 55.1° | 46.1° |
| H6 | C15 | C14 | H22 | 65.1° | 166.8° |
| H7 | C15 | C14 | H21 | 175.1° | 73.3° |
| H7 | C15 | C14 | H22 | 54.8° | 47.4° |
| H10 | C3 | C2 | H11 | 2.5° | 0.0° |
| H12 | C18 | C19 | H13 | 0.4° | 0.1° |
| H14 | C | H15 | H16 | 120.0° | 120.0° |
