A1C5G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O | sing | 1.43Å | 1.41Å | |
| C7 | C6 | sing | 1.54Å | 1.53Å | |
| O | C8 | sing | 1.43Å | 1.42Å | |
| C6 | C9 | sing | 1.54Å | 1.51Å | |
| C6 | C5 | sing | 1.54Å | 1.54Å | |
| F2 | C | sing | 1.40Å | 1.34Å | |
| C9 | O1 | sing | 1.43Å | 1.44Å | |
| C8 | C5 | sing | 1.54Å | 1.53Å | |
| O1 | C10 | sing | 1.36Å | 1.36Å | |
| C5 | N2 | sing | 1.49Å | 1.46Å | |
| N2 | C4 | sing | 1.41Å | 1.35Å | |
| C | F1 | sing | 1.40Å | 1.33Å | |
| C | F | sing | 1.40Å | 1.33Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C4 | C1 | doub | 1.39Å | 1.43Å | Aromatic |
| C4 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C16 | sing | 1.40Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.40Å | Aromatic |
| N1 | C3 | doub | 1.32Å | 1.33Å | Aromatic |
| C16 | N5 | doub | 1.31Å | 1.32Å | Aromatic |
| C2 | N | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | N | sing | 1.33Å | 1.34Å | Aromatic |
| C3 | N3 | sing | 1.41Å | 1.38Å | |
| C11 | N3 | sing | 1.42Å | 1.37Å | |
| C11 | N4 | sing | 1.36Å | 1.35Å | Aromatic |
| N5 | N4 | sing | 1.40Å | 1.39Å | Aromatic |
| N4 | C12 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.54Å | 1.52Å | |
| C12 | C15 | sing | 1.54Å | 1.55Å | |
| C13 | C14 | sing | 1.54Å | 1.55Å | |
| C15 | C14 | sing | 1.54Å | 1.52Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C7 | C6 | 105.8° | 106.4° |
| C7 | O | C8 | 104.5° | 109.8° |
| O | C7 | H4 | 110.4° | 110.0° |
| O | C7 | H5 | 110.4° | 110.0° |
| C7 | C6 | C9 | 109.1° | 110.4° |
| C7 | C6 | C5 | 103.0° | 105.0° |
| C7 | C6 | H3 | 110.0° | 110.2° |
| C6 | C7 | H4 | 110.4° | 110.1° |
| C6 | C7 | H5 | 110.4° | 110.0° |
| O | C8 | C5 | 105.3° | 107.6° |
| O | C8 | H6 | 110.5° | 109.8° |
| O | C8 | H7 | 110.5° | 109.8° |
| C9 | C6 | C5 | 114.6° | 109.9° |
| C6 | C9 | O1 | 110.0° | 108.1° |
| C9 | C6 | H3 | 110.2° | 110.5° |
| C6 | C9 | H16 | 109.3° | 109.7° |
| C6 | C9 | H17 | 109.4° | 109.8° |
| C6 | C5 | C8 | 103.1° | 105.1° |
| C6 | C5 | N2 | 114.4° | 109.9° |
| C6 | C5 | H2 | 108.2° | 111.7° |
| C5 | C6 | H3 | 109.7° | 110.7° |
| F2 | C | F1 | 105.7° | 109.5° |
| F2 | C | F | 106.3° | 109.5° |
| F2 | C | C1 | 112.7° | 109.4° |
| C9 | O1 | C10 | 119.3° | 117.1° |
| O1 | C9 | H16 | 109.4° | 109.7° |
| O1 | C9 | H17 | 109.4° | 109.8° |
| C8 | C5 | N2 | 113.3° | 109.3° |
| C8 | C5 | H2 | 108.4° | 111.0° |
| C5 | C8 | H6 | 110.5° | 109.8° |
| C5 | C8 | H7 | 110.5° | 109.9° |
| O1 | C10 | C16 | 124.9° | 126.5° |
| O1 | C10 | C11 | 129.5° | 125.7° |
| C5 | N2 | C4 | 123.1° | 114.7° |
| N2 | C5 | H2 | 109.2° | 109.8° |
| C5 | N2 | H15 | 106.0° | 122.7° |
| N2 | C4 | C1 | 121.5° | 117.9° |
| N2 | C4 | N1 | 117.2° | 123.1° |
| C4 | N2 | H15 | 106.0° | 122.6° |
| F1 | C | F | 105.4° | 109.5° |
| F1 | C | C1 | 113.2° | 109.5° |
| F | C | C1 | 112.9° | 109.5° |
| C | C1 | C4 | 125.6° | 120.7° |
| C | C1 | C2 | 119.1° | 120.7° |
| C17 | C16 | C10 | 129.1° | 125.8° |
| C17 | C16 | N5 | 120.1° | 125.8° |
| C16 | C17 | H12 | 109.5° | 109.4° |
| C16 | C17 | H13 | 109.5° | 109.5° |
| C16 | C17 | H14 | 109.5° | 109.4° |
| C1 | C4 | N1 | 121.1° | 119.0° |
| C4 | C1 | C2 | 115.2° | 118.6° |
| C4 | N1 | C3 | 117.5° | 120.6° |
| C1 | C2 | N | 124.1° | 119.1° |
| C1 | C2 | H21 | 118.0° | 120.4° |
| C16 | C10 | C11 | 105.5° | 107.7° |
| C10 | C16 | N5 | 110.8° | 108.4° |
| C10 | C11 | N3 | 131.7° | 127.9° |
| C10 | C11 | N4 | 106.3° | 107.5° |
| N1 | C3 | N | 126.4° | 121.6° |
| N1 | C3 | N3 | 115.8° | 123.0° |
| C16 | N5 | N4 | 105.3° | 108.4° |
| C2 | N | C3 | 115.6° | 121.0° |
| N | C2 | H21 | 117.9° | 120.4° |
| N | C3 | N3 | 117.7° | 115.4° |
| C3 | N3 | C11 | 123.8° | 114.8° |
| C3 | N3 | H1 | 118.1° | 122.6° |
| N3 | C11 | N4 | 121.9° | 124.7° |
| C11 | N3 | H1 | 118.1° | 122.6° |
| C11 | N4 | N5 | 112.1° | 108.0° |
| C11 | N4 | C12 | 125.9° | 126.0° |
| N5 | N4 | C12 | 121.9° | 126.0° |
| N4 | C12 | C13 | 117.2° | 113.6° |
| N4 | C12 | C15 | 118.8° | 113.6° |
| N4 | C12 | H18 | 110.7° | 112.8° |
| C13 | C12 | C15 | 88.6° | 87.1° |
| C12 | C13 | C14 | 86.8° | 87.0° |
| C12 | C13 | H8 | 114.8° | 113.6° |
| C12 | C13 | H9 | 114.8° | 113.7° |
| C13 | C12 | H18 | 110.0° | 113.6° |
| C12 | C15 | C14 | 86.6° | 87.1° |
| C12 | C15 | H10 | 114.8° | 113.6° |
| C12 | C15 | H11 | 114.8° | 113.7° |
| C15 | C12 | H18 | 109.6° | 113.7° |
| C13 | C14 | C15 | 88.7° | 87.1° |
| C14 | C13 | H8 | 114.8° | 113.6° |
| C14 | C13 | H9 | 114.8° | 113.6° |
| C13 | C14 | H19 | 114.4° | 113.6° |
| C13 | C14 | H20 | 114.4° | 113.6° |
| C14 | C15 | H10 | 114.9° | 113.6° |
| C14 | C15 | H11 | 114.8° | 113.6° |
| C15 | C14 | H19 | 114.4° | 113.6° |
| C15 | C14 | H20 | 114.4° | 113.6° |
| H4 | C7 | H5 | 109.5° | 110.1° |
| H6 | C8 | H7 | 109.5° | 109.9° |
| H8 | C13 | H9 | 109.5° | 112.9° |
| H10 | C15 | H11 | 109.5° | 112.9° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H12 | C17 | H14 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.4° | 109.8° |
| H19 | C14 | H20 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C7 | C6 | H4 | 119.4° | 119.2° |
| O | C7 | C6 | H5 | 119.4° | 119.2° |
| O | C7 | C6 | C9 | 146.6° | 137.9° |
| O | C7 | C6 | C5 | 24.5° | 19.5° |
| C7 | O | C8 | C5 | 42.3° | 22.0° |
| O | C7 | C6 | H3 | 92.4° | 99.7° |
| O | C7 | H4 | H5 | 121.7° | 121.5° |
| C7 | O | C8 | H6 | 77.0° | 141.5° |
| C7 | O | C8 | H7 | 161.7° | 97.6° |
| C6 | C7 | O | C8 | 42.0° | 26.2° |
| C7 | C6 | C9 | C5 | 114.9° | 115.3° |
| C7 | C6 | C9 | H3 | 120.8° | 122.2° |
| C7 | C6 | C5 | H3 | 117.1° | 118.9° |
| C7 | C6 | C9 | O1 | 157.4° | 166.5° |
| C7 | C6 | C5 | C8 | 0.7° | 6.6° |
| C7 | C6 | C5 | N2 | 122.8° | 124.0° |
| C7 | C6 | C5 | H2 | 115.3° | 113.8° |
| C6 | C7 | H4 | H5 | 121.7° | 121.5° |
| C7 | C6 | C9 | H16 | 37.3° | 46.9° |
| C7 | C6 | C9 | H17 | 82.5° | 73.9° |
| O | C8 | C5 | C6 | 25.4° | 8.6° |
| O | C8 | C5 | H6 | 119.3° | 119.5° |
| O | C8 | C5 | H7 | 119.3° | 119.6° |
| O | C8 | C5 | N2 | 98.8° | 109.3° |
| O | C8 | C5 | H2 | 139.8° | 129.5° |
| C8 | O | C7 | H4 | 161.4° | 93.1° |
| C8 | O | C7 | H5 | 77.4° | 145.4° |
| O | C8 | H6 | H7 | 121.9° | 120.9° |
| C9 | C6 | C5 | H3 | 124.5° | 122.3° |
| C6 | C9 | O1 | H16 | 120.1° | 119.6° |
| C6 | C9 | O1 | H17 | 120.1° | 119.7° |
| C9 | C6 | C5 | C8 | 117.7° | 125.3° |
| C6 | C9 | O1 | C10 | 132.8° | 148.2° |
| C9 | C6 | C5 | N2 | 118.8° | 117.2° |
| C9 | C6 | C5 | H2 | 3.1° | 4.9° |
| C9 | C6 | C7 | H4 | 94.0° | 18.7° |
| C9 | C6 | C7 | H5 | 27.2° | 102.9° |
| C6 | C9 | H16 | H17 | 119.8° | 120.7° |
| C5 | C6 | C9 | O1 | 87.7° | 78.2° |
| C6 | C5 | C8 | N2 | 124.2° | 117.9° |
| C6 | C5 | C8 | H2 | 114.5° | 120.9° |
| C6 | C5 | N2 | H2 | 121.4° | 123.2° |
| C6 | C5 | N2 | C4 | 76.3° | 86.8° |
| C5 | C6 | C7 | H4 | 143.9° | 99.7° |
| C5 | C6 | C7 | H5 | 94.9° | 138.7° |
| C6 | C5 | C8 | H6 | 93.9° | 128.1° |
| C6 | C5 | C8 | H7 | 144.7° | 110.9° |
| C6 | C5 | N2 | H15 | 161.8° | 93.1° |
| C5 | C6 | C9 | H16 | 152.2° | 162.2° |
| C5 | C6 | C9 | H17 | 32.4° | 41.4° |
| F2 | C | F1 | F | 112.3° | 120.0° |
| F2 | C | F1 | C1 | 123.8° | 120.0° |
| F2 | C | F | C1 | 124.0° | 120.0° |
| F2 | C | C1 | C4 | 67.5° | 180.0° |
| F2 | C | C1 | C2 | 110.3° | 0.0° |
| C9 | O1 | C10 | C16 | 49.8° | 23.3° |
| C9 | O1 | C10 | C11 | 133.6° | 158.7° |
| O1 | C9 | C6 | H3 | 36.6° | 44.3° |
| O1 | C9 | H16 | H17 | 119.8° | 120.7° |
| C8 | C5 | N2 | H2 | 120.9° | 122.0° |
| C8 | C5 | N2 | C4 | 165.9° | 158.4° |
| C8 | C5 | C6 | H3 | 117.7° | 112.4° |
| C5 | C8 | H6 | H7 | 122.0° | 120.9° |
| C8 | C5 | N2 | H15 | 44.1° | 21.7° |
| O1 | C10 | C16 | C17 | 1.7° | 1.9° |
| O1 | C10 | C16 | C11 | 177.3° | 178.3° |
| O1 | C10 | C16 | N5 | 178.5° | 178.0° |
| O1 | C10 | C11 | N3 | 1.7° | 3.4° |
| O1 | C10 | C11 | N4 | 177.6° | 177.3° |
| C10 | O1 | C9 | H16 | 107.1° | 92.2° |
| C10 | O1 | C9 | H17 | 12.7° | 28.6° |
| C5 | N2 | C4 | H15 | 121.9° | 180.0° |
| C5 | N2 | C4 | C1 | 176.5° | 159.8° |
| C5 | N2 | C4 | N1 | 0.9° | 23.4° |
| N2 | C5 | C6 | H3 | 5.7° | 5.1° |
| N2 | C5 | C8 | H6 | 141.9° | 10.2° |
| N2 | C5 | C8 | H7 | 20.6° | 131.2° |
| N2 | C4 | C1 | C | 3.2° | 3.4° |
| N2 | C4 | C1 | N1 | 175.4° | 177.0° |
| N2 | C4 | C1 | C2 | 174.7° | 176.6° |
| N2 | C4 | N1 | C3 | 173.1° | 175.2° |
| C4 | N2 | C5 | H2 | 45.0° | 36.4° |
| F1 | C | F | C1 | 124.1° | 120.0° |
| F1 | C | C1 | C4 | 172.6° | 60.0° |
| F1 | C | C1 | C2 | 9.6° | 120.0° |
| F | C | C1 | C4 | 53.0° | 60.0° |
| F | C | C1 | C2 | 129.2° | 120.0° |
| C | C1 | C4 | C2 | 177.9° | 180.0° |
| C | C1 | C4 | N1 | 178.6° | 179.6° |
| C | C1 | C2 | N | 176.9° | 179.8° |
| C | C1 | C2 | H21 | 3.1° | 0.2° |
| C17 | C16 | C10 | N5 | 176.8° | 179.9° |
| C17 | C16 | C10 | C11 | 175.6° | 179.7° |
| C17 | C16 | N5 | N4 | 175.8° | 179.4° |
| C16 | C17 | H12 | H13 | 120.0° | 120.0° |
| C16 | C17 | H12 | H14 | 120.0° | 119.9° |
| C16 | C17 | H13 | H14 | 120.0° | 120.0° |
| C1 | C4 | N1 | C3 | 2.5° | 1.7° |
| C4 | C1 | C2 | N | 1.1° | 0.2° |
| C1 | C4 | N2 | H15 | 61.6° | 20.3° |
| C4 | C1 | C2 | H21 | 178.9° | 179.8° |
| N1 | C4 | C1 | C2 | 0.7° | 0.4° |
| C4 | N1 | C3 | N | 2.7° | 2.3° |
| C4 | N1 | C3 | N3 | 173.9° | 176.9° |
| N1 | C4 | N2 | H15 | 122.8° | 156.6° |
| C1 | C2 | N | H21 | 180.0° | 180.0° |
| C1 | C2 | N | C3 | 1.1° | 0.4° |
| C16 | C10 | C11 | N3 | 175.4° | 178.2° |
| C16 | C10 | C11 | N4 | 0.5° | 1.1° |
| C10 | C16 | N5 | N4 | 1.3° | 0.5° |
| C10 | C16 | C17 | H12 | 176.5° | 90.0° |
| C10 | C16 | C17 | H13 | 56.5° | 149.9° |
| C10 | C16 | C17 | H14 | 63.5° | 29.9° |
| C11 | C10 | C16 | N5 | 1.2° | 0.3° |
| C10 | C11 | N3 | C3 | 45.0° | 41.9° |
| C10 | C11 | N3 | N4 | 175.4° | 179.2° |
| C10 | C11 | N4 | N5 | 0.3° | 1.4° |
| C10 | C11 | N4 | C12 | 176.3° | 178.6° |
| C10 | C11 | N3 | H1 | 135.0° | 138.1° |
| N1 | C3 | N | C2 | 1.0° | 1.7° |
| N1 | C3 | N | N3 | 176.6° | 179.3° |
| N1 | C3 | N3 | C11 | 2.3° | 22.3° |
| N1 | C3 | N3 | H1 | 177.7° | 157.7° |
| C16 | N5 | N4 | C11 | 1.0° | 1.2° |
| C16 | N5 | N4 | C12 | 175.7° | 178.8° |
| N5 | C16 | C17 | H12 | 0.0° | 90.1° |
| N5 | C16 | C17 | H13 | 120.0° | 30.0° |
| N5 | C16 | C17 | H14 | 120.0° | 150.0° |
| C2 | N | C3 | N3 | 175.7° | 177.6° |
| N | C3 | N3 | C11 | 179.2° | 158.4° |
| N | C3 | N3 | H1 | 0.8° | 21.6° |
| C3 | N | C2 | H21 | 178.9° | 179.6° |
| C3 | N3 | C11 | H1 | 180.0° | 180.0° |
| C3 | N3 | C11 | N4 | 139.6° | 137.4° |
| N3 | C11 | N4 | N5 | 176.7° | 178.0° |
| N3 | C11 | N4 | C12 | 0.1° | 2.0° |
| C11 | N4 | N5 | C12 | 176.7° | 179.9° |
| C11 | N4 | C12 | C13 | 121.7° | 120.0° |
| C11 | N4 | C12 | C15 | 133.7° | 142.5° |
| N4 | C11 | N3 | H1 | 40.4° | 42.7° |
| C11 | N4 | C12 | H18 | 5.6° | 11.2° |
| N5 | N4 | C12 | C13 | 54.5° | 60.1° |
| N5 | N4 | C12 | C15 | 50.0° | 37.4° |
| N5 | N4 | C12 | H18 | 178.2° | 168.8° |
| N4 | C12 | C13 | C15 | 121.9° | 114.6° |
| N4 | C12 | C13 | H18 | 127.7° | 130.7° |
| N4 | C12 | C15 | H18 | 128.7° | 130.9° |
| N4 | C12 | C13 | C14 | 144.4° | 89.2° |
| N4 | C12 | C15 | C14 | 143.4° | 89.1° |
| N4 | C12 | C13 | H8 | 99.7° | 156.3° |
| N4 | C12 | C13 | H9 | 28.5° | 25.4° |
| N4 | C12 | C15 | H10 | 27.5° | 25.4° |
| N4 | C12 | C15 | H11 | 100.7° | 156.4° |
| C13 | C12 | C15 | H18 | 110.8° | 114.6° |
| C12 | C13 | C14 | H8 | 115.9° | 114.5° |
| C12 | C13 | C14 | H9 | 115.9° | 114.6° |
| C13 | C12 | C15 | C14 | 22.9° | 25.4° |
| C12 | C13 | H8 | H9 | 130.8° | 131.3° |
| C13 | C12 | C15 | H10 | 93.0° | 139.9° |
| C13 | C12 | C15 | H11 | 138.7° | 89.1° |
| C12 | C13 | C14 | H19 | 93.3° | 140.0° |
| C12 | C13 | C14 | H20 | 139.3° | 89.2° |
| C12 | C15 | C14 | H10 | 115.9° | 114.6° |
| C12 | C15 | C14 | H11 | 115.9° | 114.6° |
| C15 | C12 | C13 | H8 | 138.4° | 89.1° |
| C15 | C12 | C13 | H9 | 93.4° | 140.0° |
| C12 | C15 | H10 | H11 | 130.9° | 131.3° |
| C12 | C15 | C14 | H19 | 93.8° | 140.0° |
| C12 | C15 | C14 | H20 | 138.8° | 89.1° |
| C13 | C14 | C15 | H19 | 116.3° | 114.5° |
| C13 | C14 | C15 | H20 | 116.3° | 114.5° |
| C14 | C13 | H8 | H9 | 130.8° | 131.3° |
| C13 | C14 | C15 | H10 | 93.4° | 140.0° |
| C13 | C14 | C15 | H11 | 138.3° | 89.2° |
| C14 | C13 | C12 | H18 | 87.9° | 140.1° |
| C13 | C14 | H19 | H20 | 129.9° | 131.2° |
| C15 | C14 | C13 | H8 | 138.9° | 89.1° |
| C15 | C14 | C13 | H9 | 93.0° | 140.0° |
| C14 | C15 | H10 | H11 | 130.9° | 131.2° |
| C14 | C15 | C12 | H18 | 87.9° | 140.0° |
| C15 | C14 | H19 | H20 | 129.8° | 131.3° |
| H2 | C5 | C6 | H3 | 127.7° | 127.2° |
| H2 | C5 | C8 | H6 | 20.5° | 111.0° |
| H2 | C5 | C8 | H7 | 100.8° | 9.9° |
| H2 | C5 | N2 | H15 | 76.8° | 143.6° |
| H3 | C6 | C7 | H4 | 27.0° | 141.0° |
| H3 | C6 | C7 | H5 | 148.2° | 19.4° |
| H3 | C6 | C9 | H16 | 83.5° | 75.3° |
| H3 | C6 | C9 | H17 | 156.7° | 163.9° |
| H8 | C13 | C12 | H18 | 28.0° | 25.6° |
| H8 | C13 | C14 | H19 | 22.6° | 25.5° |
| H8 | C13 | C14 | H20 | 104.8° | 156.3° |
| H9 | C13 | C12 | H18 | 156.2° | 105.4° |
| H9 | C13 | C14 | H19 | 150.7° | 105.4° |
| H9 | C13 | C14 | H20 | 23.3° | 25.4° |
| H10 | C15 | C12 | H18 | 156.2° | 105.5° |
| H10 | C15 | C14 | H19 | 150.3° | 105.5° |
| H10 | C15 | C14 | H20 | 22.9° | 25.5° |
| H11 | C15 | C12 | H18 | 27.9° | 25.5° |
| H11 | C15 | C14 | H19 | 22.1° | 25.3° |
| H11 | C15 | C14 | H20 | 105.3° | 156.3° |
| H12 | C17 | H13 | H14 | 120.0° | 120.0° |
