A1A7C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.55Å | 1.54Å | |
| C3 | C4 | sing | 1.54Å | 1.58Å | |
| C10 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.56Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C4 | N1 | sing | 1.47Å | 1.50Å | |
| C1 | N1 | sing | 1.34Å | 1.39Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| N1 | N2 | sing | 1.40Å | 1.37Å | |
| N2 | C11 | sing | 1.38Å | 1.37Å | |
| CL1 | C15 | sing | 1.74Å | 1.73Å | |
| C11 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| C15 | C14 | sing | 1.46Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.34Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.43Å | Aromatic |
| N3 | C12 | doub | 1.32Å | 1.36Å | Aromatic |
| C16 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C13 | N5 | sing | 1.37Å | 1.35Å | Aromatic |
| C13 | N4 | doub | 1.33Å | 1.34Å | Aromatic |
| C12 | N4 | sing | 1.31Å | 1.33Å | Aromatic |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 119.1° | 120.0° |
| C8 | C7 | C6 | 119.8° | 120.0° |
| C8 | C7 | H7 | 120.1° | 120.0° |
| C7 | C8 | H8 | 120.4° | 120.0° |
| C8 | C9 | C10 | 120.5° | 119.9° |
| C8 | C9 | H9 | 119.7° | 120.0° |
| C9 | C8 | H8 | 120.5° | 120.0° |
| C7 | C6 | C5 | 122.0° | 120.0° |
| C7 | C6 | H6 | 119.0° | 120.0° |
| C6 | C7 | H7 | 120.1° | 120.0° |
| C9 | C10 | C5 | 121.9° | 120.1° |
| C10 | C9 | H9 | 119.8° | 120.0° |
| C9 | C10 | H10 | 119.0° | 120.0° |
| C6 | C5 | C10 | 116.6° | 120.0° |
| C6 | C5 | C4 | 123.6° | 120.0° |
| C5 | C6 | H6 | 119.0° | 120.0° |
| C2 | C3 | C4 | 105.7° | 101.8° |
| C3 | C2 | C1 | 103.4° | 104.2° |
| C2 | C3 | H4 | 110.4° | 110.9° |
| C2 | C3 | H5 | 110.4° | 111.0° |
| C3 | C2 | H3 | 111.0° | 110.5° |
| C3 | C2 | H2 | 111.0° | 110.5° |
| C3 | C4 | C5 | 114.9° | 110.2° |
| C3 | C4 | N1 | 102.6° | 105.5° |
| C4 | C3 | H4 | 110.4° | 111.0° |
| C4 | C3 | H5 | 110.4° | 111.0° |
| C3 | C4 | H1 | 108.3° | 110.3° |
| C10 | C5 | C4 | 119.8° | 120.0° |
| C5 | C10 | H10 | 119.0° | 119.9° |
| C5 | C4 | N1 | 112.9° | 110.3° |
| C5 | C4 | H1 | 108.6° | 110.2° |
| C2 | C1 | N1 | 110.3° | 110.1° |
| C2 | C1 | O1 | 124.5° | 125.0° |
| C1 | C2 | H3 | 111.0° | 110.5° |
| C1 | C2 | H2 | 111.0° | 110.5° |
| C4 | N1 | C1 | 112.0° | 111.3° |
| C4 | N1 | N2 | 120.2° | 124.3° |
| N1 | C4 | H1 | 109.3° | 110.3° |
| N1 | C1 | O1 | 125.2° | 124.9° |
| C1 | N1 | N2 | 127.8° | 124.4° |
| N1 | N2 | C11 | 125.7° | 120.0° |
| N1 | N2 | H11 | 105.3° | 120.0° |
| N2 | C11 | C14 | 119.4° | 120.8° |
| N2 | C11 | N3 | 121.8° | 120.9° |
| C11 | N2 | H11 | 105.3° | 120.0° |
| CL1 | C15 | C14 | 121.5° | 126.6° |
| CL1 | C15 | C16 | 129.5° | 126.6° |
| C14 | C11 | N3 | 118.7° | 118.3° |
| C11 | C14 | C15 | 138.8° | 135.1° |
| C11 | C14 | C13 | 116.3° | 118.7° |
| C11 | N3 | C12 | 120.0° | 121.1° |
| C14 | C15 | C16 | 109.0° | 106.8° |
| C15 | C14 | C13 | 104.9° | 106.2° |
| C15 | C16 | N5 | 106.3° | 109.8° |
| C15 | C16 | H13 | 126.9° | 125.1° |
| C14 | C13 | N5 | 108.9° | 107.2° |
| C14 | C13 | N4 | 125.0° | 118.5° |
| N3 | C12 | N4 | 125.5° | 122.7° |
| N3 | C12 | H12 | 117.2° | 118.6° |
| C16 | N5 | C13 | 110.9° | 110.0° |
| N5 | C16 | H13 | 126.9° | 125.1° |
| C16 | N5 | H14 | 124.5° | 125.0° |
| N5 | C13 | N4 | 126.1° | 134.3° |
| C13 | N5 | H14 | 124.5° | 125.0° |
| C13 | N4 | C12 | 114.4° | 120.7° |
| N4 | C12 | H12 | 117.2° | 118.7° |
| H4 | C3 | H5 | 109.5° | 110.9° |
| H3 | C2 | H2 | 109.4° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.3° |
| C8 | C7 | C6 | C5 | 0.7° | 0.0° |
| C8 | C7 | C6 | H6 | 179.2° | 179.7° |
| C7 | C8 | C9 | H9 | 179.9° | 179.7° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.4° |
| C8 | C9 | C10 | C5 | 0.6° | 0.6° |
| C8 | C9 | C10 | H10 | 179.4° | 179.4° |
| C9 | C8 | C7 | H7 | 179.9° | 180.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.7° |
| C7 | C6 | C5 | C10 | 1.4° | 0.2° |
| C7 | C6 | C5 | C4 | 179.4° | 179.7° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C9 | C10 | C5 | C6 | 1.3° | 0.5° |
| C9 | C10 | C5 | H10 | 180.0° | 180.0° |
| C9 | C10 | C5 | C4 | 179.5° | 179.4° |
| C10 | C9 | C8 | H8 | 179.9° | 179.7° |
| C6 | C5 | C4 | C3 | 79.9° | 100.0° |
| C6 | C5 | C10 | C4 | 178.2° | 180.0° |
| C6 | C5 | C4 | N1 | 37.2° | 143.9° |
| C6 | C5 | C10 | H10 | 178.7° | 179.5° |
| C6 | C5 | C4 | H1 | 158.6° | 22.0° |
| C5 | C6 | C7 | H7 | 179.3° | 180.0° |
| C2 | C3 | C4 | H4 | 119.4° | 118.1° |
| C2 | C3 | C4 | H5 | 119.4° | 118.1° |
| C2 | C3 | C4 | C5 | 146.4° | 144.4° |
| C3 | C2 | C1 | H3 | 119.1° | 118.6° |
| C3 | C2 | C1 | H2 | 119.0° | 118.7° |
| C2 | C3 | C4 | N1 | 23.5° | 25.4° |
| C3 | C2 | C1 | N1 | 14.6° | 16.3° |
| C3 | C2 | C1 | O1 | 165.1° | 163.7° |
| C2 | C3 | H4 | H5 | 121.7° | 123.8° |
| C3 | C2 | H3 | H2 | 122.8° | 122.6° |
| C2 | C3 | C4 | H1 | 92.1° | 93.6° |
| C3 | C4 | C5 | C10 | 102.0° | 80.0° |
| C3 | C4 | C5 | N1 | 117.2° | 116.1° |
| C3 | C4 | C5 | H1 | 121.4° | 122.0° |
| C4 | C3 | C2 | C1 | 23.2° | 24.8° |
| C3 | C4 | N1 | H1 | 114.8° | 119.1° |
| C3 | C4 | N1 | C1 | 15.1° | 17.0° |
| C3 | C4 | N1 | N2 | 165.2° | 163.0° |
| C4 | C3 | H4 | H5 | 121.7° | 123.9° |
| C4 | C3 | C2 | H3 | 142.2° | 143.5° |
| C4 | C3 | C2 | H2 | 95.8° | 93.8° |
| C10 | C5 | C4 | N1 | 140.8° | 36.0° |
| C10 | C5 | C6 | H6 | 178.6° | 180.0° |
| C5 | C10 | C9 | H9 | 179.3° | 180.0° |
| C10 | C5 | C4 | H1 | 19.4° | 158.0° |
| C5 | C4 | N1 | H1 | 121.0° | 122.0° |
| C5 | C4 | N1 | C1 | 139.3° | 136.0° |
| C5 | C4 | N1 | N2 | 41.0° | 44.0° |
| C5 | C4 | C3 | H4 | 94.2° | 97.5° |
| C5 | C4 | C3 | H5 | 27.0° | 26.3° |
| C4 | C5 | C6 | H6 | 0.5° | 0.0° |
| C4 | C5 | C10 | H10 | 0.5° | 0.5° |
| C2 | C1 | N1 | C4 | 0.6° | 0.4° |
| C2 | C1 | N1 | O1 | 179.8° | 180.0° |
| C2 | C1 | N1 | N2 | 179.8° | 179.6° |
| C1 | C2 | C3 | H4 | 142.6° | 142.9° |
| C1 | C2 | C3 | H5 | 96.2° | 93.3° |
| C1 | C2 | H3 | H2 | 122.8° | 122.7° |
| C4 | N1 | C1 | N2 | 179.7° | 180.0° |
| C4 | N1 | C1 | O1 | 179.7° | 179.6° |
| C4 | N1 | N2 | C11 | 101.9° | 105.0° |
| C4 | N1 | N2 | H11 | 20.3° | 75.3° |
| N1 | C4 | C3 | H4 | 142.9° | 143.5° |
| N1 | C4 | C3 | H5 | 96.0° | 92.7° |
| C1 | N1 | N2 | C11 | 77.8° | 75.0° |
| C1 | N1 | N2 | H11 | 160.0° | 104.7° |
| N1 | C1 | C2 | H3 | 133.7° | 134.9° |
| N1 | C1 | C2 | H2 | 104.4° | 102.4° |
| C1 | N1 | C4 | H1 | 99.7° | 102.0° |
| O1 | C1 | N1 | N2 | 0.0° | 0.4° |
| O1 | C1 | C2 | H3 | 46.1° | 45.1° |
| O1 | C1 | C2 | H2 | 75.8° | 77.6° |
| N1 | N2 | C11 | H11 | 122.2° | 179.7° |
| N1 | N2 | C11 | C14 | 177.9° | 179.7° |
| N1 | N2 | C11 | N3 | 2.4° | 0.3° |
| N2 | N1 | C4 | H1 | 80.0° | 78.0° |
| N2 | C11 | C14 | N3 | 179.7° | 180.0° |
| N2 | C11 | C14 | C15 | 0.1° | 0.3° |
| N2 | C11 | C14 | C13 | 179.5° | 179.8° |
| N2 | C11 | N3 | C12 | 179.6° | 180.0° |
| CL1 | C15 | C14 | C11 | 0.7° | 0.0° |
| CL1 | C15 | C14 | C16 | 179.3° | 180.0° |
| CL1 | C15 | C14 | C13 | 179.6° | 180.0° |
| CL1 | C15 | C16 | N5 | 179.8° | 180.0° |
| CL1 | C15 | C16 | H13 | 0.2° | 0.0° |
| C11 | C14 | C15 | C13 | 179.6° | 179.9° |
| C11 | C14 | C15 | C16 | 179.9° | 180.0° |
| C14 | C11 | N3 | C12 | 0.8° | 0.0° |
| C11 | C14 | C13 | N5 | 179.7° | 180.0° |
| C11 | C14 | C13 | N4 | 0.9° | 0.4° |
| C14 | C11 | N2 | H11 | 59.9° | 0.1° |
| N3 | C11 | C14 | C15 | 179.5° | 179.8° |
| N3 | C11 | C14 | C13 | 0.9° | 0.2° |
| C11 | N3 | C12 | N4 | 0.7° | 0.0° |
| N3 | C11 | N2 | H11 | 119.8° | 180.0° |
| C11 | N3 | C12 | H12 | 179.3° | 179.7° |
| C14 | C15 | C16 | N5 | 0.5° | 0.0° |
| C15 | C14 | C13 | N5 | 0.0° | 0.0° |
| C15 | C14 | C13 | N4 | 179.4° | 179.5° |
| C14 | C15 | C16 | H13 | 179.5° | 180.0° |
| C16 | C15 | C14 | C13 | 0.3° | 0.0° |
| C15 | C16 | N5 | H13 | 180.0° | 180.0° |
| C15 | C16 | N5 | C13 | 0.5° | 0.0° |
| C15 | C16 | N5 | H14 | 179.4° | 180.0° |
| C14 | C13 | N5 | C16 | 0.3° | 0.0° |
| C14 | C13 | N5 | N4 | 179.4° | 179.5° |
| C14 | C13 | N4 | C12 | 0.8° | 0.4° |
| C14 | C13 | N5 | H14 | 179.6° | 180.0° |
| N3 | C12 | N4 | C13 | 0.6° | 0.2° |
| N3 | C12 | N4 | H12 | 180.0° | 179.7° |
| C16 | N5 | C13 | H14 | 180.0° | 180.0° |
| C16 | N5 | C13 | N4 | 179.0° | 179.4° |
| N5 | C13 | N4 | C12 | 180.0° | 179.9° |
| C13 | N5 | C16 | H13 | 179.5° | 180.0° |
| C13 | N4 | C12 | H12 | 179.4° | 180.0° |
| N4 | C13 | N5 | H14 | 1.0° | 0.6° |
| H4 | C3 | C2 | H3 | 98.3° | 98.4° |
| H4 | C3 | C2 | H2 | 23.6° | 24.3° |
| H4 | C3 | C4 | H1 | 27.3° | 24.5° |
| H5 | C3 | C2 | H3 | 22.9° | 25.3° |
| H5 | C3 | C2 | H2 | 144.8° | 148.0° |
| H5 | C3 | C4 | H1 | 148.5° | 148.3° |
| H6 | C6 | C7 | H7 | 0.7° | 0.3° |
| H9 | C9 | C10 | H10 | 0.7° | 0.0° |
| H9 | C9 | C8 | H8 | 0.1° | 0.3° |
| H13 | C16 | N5 | H14 | 0.5° | 0.1° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
