G54
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.54Å | 1.57Å | |
| C8 | C7 | sing | 1.54Å | 1.55Å | |
| C9 | N4 | sing | 1.47Å | 1.49Å | |
| C9 | C5 | sing | 1.51Å | 1.52Å | |
| N4 | C17 | sing | 1.35Å | 1.37Å | |
| C17 | N5 | trip | 1.14Å | 1.16Å | |
| C7 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C11 | sing | 1.48Å | 1.49Å | |
| C16 | C15 | doub | 1.34Å | 1.36Å | Aromatic |
| C16 | C14 | sing | 1.46Å | 1.43Å | Aromatic |
| C15 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| C14 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.45Å | Aromatic |
| C11 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C13 | sing | 1.37Å | 1.36Å | Aromatic |
| N1 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | N2 | doub | 1.33Å | 1.35Å | Aromatic |
| C12 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 110.9° | 110.4° |
| C10 | C9 | N4 | 112.9° | 110.2° |
| C10 | C9 | C5 | 111.3° | 110.3° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H11 | 109.5° | 109.5° |
| C9 | C10 | H12 | 109.5° | 109.6° |
| C9 | C8 | C7 | 106.2° | 102.4° |
| C8 | C9 | N4 | 108.2° | 110.3° |
| C8 | C9 | C5 | 102.2° | 105.2° |
| C9 | C8 | H5 | 110.3° | 110.8° |
| C9 | C8 | H6 | 110.3° | 110.8° |
| C8 | C7 | C4 | 104.0° | 105.2° |
| C8 | C7 | H2 | 110.8° | 110.3° |
| C8 | C7 | H3 | 110.8° | 110.4° |
| C7 | C8 | H5 | 110.3° | 110.6° |
| C7 | C8 | H6 | 110.3° | 111.0° |
| N4 | C9 | C5 | 110.8° | 110.3° |
| C9 | N4 | C17 | 122.2° | 120.0° |
| C9 | N4 | H15 | 118.9° | 120.0° |
| C9 | C5 | C6 | 128.8° | 130.3° |
| C9 | C5 | C4 | 112.0° | 109.7° |
| N4 | C17 | N5 | 175.5° | 179.9° |
| C17 | N4 | H15 | 118.9° | 120.0° |
| C7 | C4 | C5 | 110.8° | 109.7° |
| C7 | C4 | C3 | 129.5° | 130.3° |
| C4 | C7 | H2 | 110.8° | 110.3° |
| C4 | C7 | H3 | 110.8° | 110.3° |
| C6 | C5 | C4 | 119.1° | 120.0° |
| C5 | C6 | C1 | 121.8° | 120.1° |
| C5 | C6 | H4 | 119.1° | 120.0° |
| C5 | C4 | C3 | 119.7° | 120.0° |
| C6 | C1 | C2 | 118.0° | 119.6° |
| C6 | C1 | C11 | 120.4° | 120.2° |
| C1 | C6 | H4 | 119.1° | 119.9° |
| C4 | C3 | C2 | 120.5° | 120.4° |
| C4 | C3 | H9 | 119.7° | 119.8° |
| C3 | C2 | C1 | 120.9° | 119.8° |
| C3 | C2 | H8 | 119.6° | 120.1° |
| C2 | C3 | H9 | 119.7° | 119.8° |
| C2 | C1 | C11 | 121.6° | 120.2° |
| C1 | C2 | H8 | 119.5° | 120.1° |
| C1 | C11 | C14 | 122.0° | 120.9° |
| C1 | C11 | N1 | 116.7° | 120.9° |
| C15 | C16 | C14 | 107.6° | 106.9° |
| C16 | C15 | N3 | 110.2° | 109.8° |
| C15 | C16 | H7 | 126.2° | 126.6° |
| C16 | C15 | H14 | 124.9° | 125.1° |
| C16 | C14 | C11 | 140.6° | 135.2° |
| C16 | C14 | C13 | 105.4° | 106.2° |
| C14 | C16 | H7 | 126.2° | 126.6° |
| C15 | N3 | C13 | 109.5° | 110.1° |
| C15 | N3 | H1 | 125.3° | 125.0° |
| N3 | C15 | H14 | 124.9° | 125.1° |
| C11 | C14 | C13 | 114.0° | 118.6° |
| C14 | C11 | N1 | 121.2° | 118.2° |
| C14 | C13 | N3 | 107.3° | 107.1° |
| C14 | C13 | N2 | 125.6° | 118.5° |
| C11 | N1 | C12 | 118.3° | 121.1° |
| N3 | C13 | N2 | 127.0° | 134.4° |
| C13 | N3 | H1 | 125.2° | 125.0° |
| N1 | C12 | N2 | 128.6° | 122.8° |
| N1 | C12 | H13 | 115.7° | 118.6° |
| C13 | N2 | C12 | 112.3° | 120.8° |
| N2 | C12 | H13 | 115.7° | 118.7° |
| H2 | C7 | H3 | 109.5° | 110.3° |
| H5 | C8 | H6 | 109.4° | 110.8° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| H10 | C10 | H12 | 109.5° | 109.4° |
| H11 | C10 | H12 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | N4 | 124.3° | 122.1° |
| C10 | C9 | C8 | C5 | 118.7° | 119.0° |
| C10 | C9 | C8 | C7 | 139.8° | 92.8° |
| C10 | C9 | N4 | C5 | 125.6° | 122.0° |
| C10 | C9 | N4 | C17 | 59.6° | 60.6° |
| C10 | C9 | C5 | C6 | 46.1° | 78.2° |
| C10 | C9 | C5 | C4 | 131.9° | 102.3° |
| C10 | C9 | C8 | H5 | 20.2° | 149.2° |
| C10 | C9 | C8 | H6 | 100.8° | 25.7° |
| C9 | C10 | H10 | H11 | 120.0° | 120.0° |
| C9 | C10 | H10 | H12 | 120.0° | 120.1° |
| C9 | C10 | H11 | H12 | 120.0° | 120.1° |
| C10 | C9 | N4 | H15 | 120.4° | 119.5° |
| C9 | C8 | C7 | H5 | 119.5° | 118.2° |
| C9 | C8 | C7 | H6 | 119.5° | 118.3° |
| C8 | C9 | N4 | C5 | 111.2° | 115.8° |
| C8 | C9 | N4 | C17 | 177.2° | 177.2° |
| C9 | C8 | C7 | C4 | 21.3° | 26.4° |
| C8 | C9 | C5 | C6 | 164.6° | 162.8° |
| C8 | C9 | C5 | C4 | 13.4° | 16.8° |
| C9 | C8 | C7 | H2 | 140.4° | 145.3° |
| C9 | C8 | C7 | H3 | 97.9° | 92.5° |
| C9 | C8 | H5 | H6 | 121.5° | 123.5° |
| C8 | C9 | C10 | H10 | 180.0° | 61.4° |
| C8 | C9 | C10 | H11 | 60.0° | 58.6° |
| C8 | C9 | C10 | H12 | 60.0° | 178.6° |
| C8 | C9 | N4 | H15 | 2.8° | 2.7° |
| C7 | C8 | C9 | N4 | 95.9° | 145.1° |
| C7 | C8 | C9 | C5 | 21.0° | 26.2° |
| C8 | C7 | C4 | H2 | 119.1° | 118.9° |
| C8 | C7 | C4 | H3 | 119.1° | 119.1° |
| C8 | C7 | C4 | C5 | 13.5° | 17.5° |
| C8 | C7 | C4 | C3 | 164.1° | 162.8° |
| C8 | C7 | H2 | H3 | 122.5° | 122.2° |
| C7 | C8 | H5 | H6 | 121.5° | 123.6° |
| C9 | N4 | C17 | H15 | 180.0° | 179.9° |
| C9 | N4 | C17 | N5 | 6.9° | 57.8° |
| N4 | C9 | C5 | C6 | 80.3° | 43.8° |
| N4 | C9 | C5 | C4 | 101.7° | 135.7° |
| N4 | C9 | C8 | H5 | 144.6° | 27.1° |
| N4 | C9 | C8 | H6 | 23.6° | 96.4° |
| N4 | C9 | C10 | H10 | 58.3° | 60.7° |
| N4 | C9 | C10 | H11 | 61.7° | 179.3° |
| N4 | C9 | C10 | H12 | 178.4° | 59.3° |
| C5 | C9 | N4 | C17 | 66.0° | 61.4° |
| C9 | C5 | C4 | C7 | 0.1° | 0.5° |
| C9 | C5 | C6 | C4 | 177.9° | 179.5° |
| C9 | C5 | C6 | C1 | 177.7° | 180.0° |
| C9 | C5 | C4 | C3 | 178.0° | 179.8° |
| C9 | C5 | C6 | H4 | 2.3° | 1.0° |
| C5 | C9 | C8 | H5 | 98.5° | 91.8° |
| C5 | C9 | C8 | H6 | 140.5° | 144.7° |
| C5 | C9 | C10 | H10 | 67.0° | 177.2° |
| C5 | C9 | C10 | H11 | 173.0° | 57.3° |
| C5 | C9 | C10 | H12 | 53.1° | 62.8° |
| C5 | C9 | N4 | H15 | 114.1° | 118.5° |
| N5 | C17 | N4 | H15 | 173.1° | 122.3° |
| C7 | C4 | C5 | C6 | 178.1° | 180.0° |
| C7 | C4 | C5 | C3 | 177.8° | 179.8° |
| C7 | C4 | C3 | C2 | 177.5° | 180.0° |
| C4 | C7 | H2 | H3 | 122.5° | 122.0° |
| C4 | C7 | C8 | H5 | 98.2° | 91.7° |
| C4 | C7 | C8 | H6 | 140.8° | 144.8° |
| C7 | C4 | C3 | H9 | 2.5° | 0.0° |
| C5 | C6 | C1 | H4 | 180.0° | 179.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.2° |
| C5 | C6 | C1 | C2 | 0.0° | 0.9° |
| C5 | C6 | C1 | C11 | 179.4° | 179.1° |
| C4 | C5 | C6 | C1 | 0.2° | 0.5° |
| C5 | C4 | C3 | C2 | 0.1° | 0.3° |
| C5 | C4 | C7 | H2 | 132.6° | 136.5° |
| C5 | C4 | C7 | H3 | 105.6° | 101.5° |
| C4 | C5 | C6 | H4 | 179.8° | 179.5° |
| C5 | C4 | C3 | H9 | 179.9° | 179.7° |
| C6 | C1 | C2 | C3 | 0.1° | 1.0° |
| C6 | C1 | C2 | C11 | 179.4° | 180.0° |
| C6 | C1 | C11 | C14 | 29.1° | 145.0° |
| C6 | C1 | C11 | N1 | 147.3° | 35.0° |
| C6 | C1 | C2 | H8 | 179.9° | 180.0° |
| C4 | C3 | C2 | H9 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.7° |
| C3 | C4 | C7 | H2 | 44.9° | 43.8° |
| C3 | C4 | C7 | H3 | 76.8° | 78.2° |
| C4 | C3 | C2 | H8 | 179.9° | 179.7° |
| C3 | C2 | C1 | H8 | 180.0° | 179.0° |
| C3 | C2 | C1 | C11 | 179.3° | 179.0° |
| C2 | C1 | C11 | C14 | 150.3° | 35.0° |
| C2 | C1 | C11 | N1 | 33.3° | 145.0° |
| C2 | C1 | C6 | H4 | 180.0° | 179.9° |
| C1 | C2 | C3 | H9 | 179.9° | 179.3° |
| C1 | C11 | C14 | C16 | 2.4° | 0.0° |
| C1 | C11 | C14 | N1 | 176.3° | 180.0° |
| C1 | C11 | C14 | C13 | 174.1° | 179.7° |
| C1 | C11 | N1 | C12 | 176.1° | 179.9° |
| C11 | C1 | C6 | H4 | 0.6° | 0.1° |
| C11 | C1 | C2 | H8 | 0.7° | 0.0° |
| C15 | C16 | C14 | H7 | 180.0° | 179.7° |
| C16 | C15 | N3 | H14 | 180.0° | 179.6° |
| C15 | C16 | C14 | C11 | 176.1° | 180.0° |
| C15 | C16 | C14 | C13 | 0.6° | 0.2° |
| C16 | C15 | N3 | C13 | 0.1° | 0.4° |
| C16 | C15 | N3 | H1 | 179.9° | 179.8° |
| C14 | C16 | C15 | N3 | 0.3° | 0.4° |
| C16 | C14 | C11 | C13 | 176.5° | 179.7° |
| C16 | C14 | C11 | N1 | 178.7° | 180.0° |
| C16 | C14 | C13 | N3 | 0.6° | 0.0° |
| C16 | C14 | C13 | N2 | 179.4° | 180.0° |
| C14 | C16 | C15 | H14 | 179.6° | 180.0° |
| C15 | N3 | C13 | C14 | 0.5° | 0.3° |
| C15 | N3 | C13 | H1 | 180.0° | 179.8° |
| C15 | N3 | C13 | N2 | 179.6° | 179.8° |
| N3 | C15 | C16 | H7 | 179.7° | 180.0° |
| C11 | C14 | C13 | N3 | 177.1° | 179.8° |
| C14 | C11 | N1 | C12 | 0.3° | 0.1° |
| C11 | C14 | C13 | N2 | 2.9° | 0.2° |
| C11 | C14 | C16 | H7 | 3.9° | 0.4° |
| C13 | C14 | C11 | N1 | 2.2° | 0.3° |
| C14 | C13 | N3 | N2 | 180.0° | 180.0° |
| C14 | C13 | N2 | C12 | 1.5° | 0.0° |
| C14 | C13 | N3 | H1 | 179.6° | 180.0° |
| C13 | C14 | C16 | H7 | 179.4° | 179.9° |
| C11 | N1 | C12 | N2 | 1.3° | 0.1° |
| C11 | N1 | C12 | H13 | 178.6° | 179.9° |
| N3 | C13 | N2 | C12 | 178.5° | 180.0° |
| C13 | N3 | C15 | H14 | 179.9° | 180.0° |
| N1 | C12 | N2 | C13 | 0.7° | 0.2° |
| N1 | C12 | N2 | H13 | 180.0° | 179.8° |
| N2 | C13 | N3 | H1 | 0.4° | 0.0° |
| C13 | N2 | C12 | H13 | 179.2° | 180.0° |
| H1 | N3 | C15 | H14 | 0.0° | 0.2° |
| H2 | C7 | C8 | H5 | 20.9° | 27.2° |
| H2 | C7 | C8 | H6 | 100.1° | 96.3° |
| H3 | C7 | C8 | H5 | 142.7° | 149.3° |
| H3 | C7 | C8 | H6 | 21.6° | 25.8° |
| H7 | C16 | C15 | H14 | 0.4° | 0.3° |
| H8 | C2 | C3 | H9 | 0.1° | 0.3° |
| H10 | C10 | H11 | H12 | 120.0° | 119.9° |
