A1A7O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.55Å | 1.53Å | |
| C3 | C4 | sing | 1.54Å | 1.55Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C4 | N1 | sing | 1.47Å | 1.52Å | |
| C1 | N1 | sing | 1.34Å | 1.43Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| N1 | N2 | sing | 1.40Å | 1.40Å | |
| N2 | C5 | sing | 1.39Å | 1.43Å | |
| C5 | N7 | doub | 1.33Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.44Å | Aromatic |
| N7 | C15 | sing | 1.32Å | 1.36Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.44Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| N4 | C11 | sing | 1.37Å | 1.36Å | Aromatic |
| N4 | N5 | sing | 1.40Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.44Å | Aromatic |
| C11 | C13 | doub | 1.41Å | 1.43Å | Aromatic |
| C15 | N6 | doub | 1.32Å | 1.35Å | Aromatic |
| C7 | N6 | sing | 1.33Å | 1.37Å | Aromatic |
| C7 | N3 | sing | 1.39Å | 1.42Å | |
| N5 | C12 | doub | 1.30Å | 1.35Å | Aromatic |
| C8 | N3 | sing | 1.40Å | 1.48Å | |
| C8 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.46Å | 1.48Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 107.1° | 101.7° |
| C3 | C2 | C1 | 105.4° | 104.2° |
| C2 | C3 | H4 | 110.1° | 111.0° |
| C2 | C3 | H3 | 110.1° | 110.9° |
| C3 | C2 | H1 | 110.5° | 110.5° |
| C3 | C2 | H2 | 110.5° | 110.4° |
| C3 | C4 | N1 | 107.2° | 105.5° |
| C4 | C3 | H4 | 110.0° | 111.0° |
| C4 | C3 | H3 | 110.0° | 110.9° |
| C3 | C4 | H6 | 110.0° | 110.2° |
| C3 | C4 | H5 | 110.0° | 110.3° |
| C2 | C1 | N1 | 112.1° | 110.1° |
| C2 | C1 | O1 | 123.4° | 124.9° |
| C1 | C2 | H1 | 110.5° | 110.5° |
| C1 | C2 | H2 | 110.5° | 110.5° |
| C4 | N1 | C1 | 108.2° | 111.3° |
| C4 | N1 | N2 | 123.8° | 124.4° |
| N1 | C4 | H6 | 110.1° | 110.2° |
| N1 | C4 | H5 | 110.0° | 110.2° |
| N1 | C1 | O1 | 124.5° | 125.0° |
| C1 | N1 | N2 | 127.9° | 124.3° |
| N1 | N2 | C5 | 128.4° | 120.0° |
| N1 | N2 | H7 | 104.6° | 120.0° |
| N2 | C5 | N7 | 118.1° | 120.5° |
| N2 | C5 | C6 | 122.7° | 120.5° |
| C5 | N2 | H7 | 104.6° | 120.0° |
| N7 | C5 | C6 | 119.2° | 119.0° |
| C5 | N7 | C15 | 116.2° | 120.9° |
| C5 | C6 | C7 | 120.4° | 118.3° |
| C5 | C6 | H8 | 119.8° | 120.9° |
| N7 | C15 | N6 | 128.0° | 121.9° |
| N7 | C15 | H15 | 116.0° | 119.0° |
| C6 | C7 | N6 | 118.0° | 119.1° |
| C6 | C7 | N3 | 124.6° | 120.5° |
| C7 | C6 | H8 | 119.8° | 120.9° |
| C9 | C10 | C11 | 117.6° | 120.1° |
| C10 | C9 | C8 | 122.0° | 120.8° |
| C10 | C9 | H10 | 119.0° | 119.7° |
| C9 | C10 | H11 | 121.2° | 120.0° |
| C10 | C11 | N4 | 131.0° | 133.7° |
| C10 | C11 | C13 | 123.5° | 119.6° |
| C11 | C10 | H11 | 121.2° | 119.9° |
| C11 | N4 | N5 | 116.4° | 109.1° |
| N4 | C11 | C13 | 105.5° | 106.7° |
| C11 | N4 | H12 | 121.8° | 125.5° |
| N4 | N5 | C12 | 104.1° | 110.1° |
| N5 | N4 | H12 | 121.8° | 125.4° |
| C9 | C8 | N3 | 120.9° | 119.9° |
| C9 | C8 | C14 | 118.6° | 120.3° |
| C8 | C9 | H10 | 119.0° | 119.6° |
| C11 | C13 | C12 | 102.6° | 106.3° |
| C11 | C13 | C14 | 117.0° | 119.7° |
| C15 | N6 | C7 | 118.2° | 120.9° |
| N6 | C15 | H15 | 116.0° | 119.1° |
| N6 | C7 | N3 | 117.4° | 120.5° |
| C7 | N3 | C8 | 128.0° | 120.0° |
| C7 | N3 | H9 | 116.0° | 120.0° |
| N5 | C12 | C13 | 111.4° | 107.8° |
| N5 | C12 | H13 | 124.3° | 126.1° |
| N3 | C8 | C14 | 120.6° | 119.9° |
| C8 | N3 | H9 | 116.0° | 119.9° |
| C8 | C14 | C13 | 121.3° | 119.5° |
| C8 | C14 | H14 | 119.3° | 120.3° |
| C12 | C13 | C14 | 140.4° | 134.0° |
| C13 | C12 | H13 | 124.3° | 126.1° |
| C13 | C14 | H14 | 119.3° | 120.2° |
| H4 | C3 | H3 | 109.5° | 110.9° |
| H1 | C2 | H2 | 109.4° | 110.5° |
| H6 | C4 | H5 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H4 | 119.6° | 118.1° |
| C2 | C3 | C4 | H3 | 119.6° | 118.1° |
| C3 | C2 | C1 | H1 | 119.4° | 118.7° |
| C3 | C2 | C1 | H2 | 119.4° | 118.7° |
| C2 | C3 | C4 | N1 | 0.9° | 25.4° |
| C3 | C2 | C1 | N1 | 0.9° | 16.2° |
| C3 | C2 | C1 | O1 | 179.3° | 163.7° |
| C2 | C3 | H4 | H3 | 121.1° | 123.8° |
| C3 | C2 | H1 | H2 | 121.9° | 122.5° |
| C2 | C3 | C4 | H6 | 120.6° | 93.6° |
| C2 | C3 | C4 | H5 | 118.7° | 144.4° |
| C4 | C3 | C2 | C1 | 1.1° | 24.7° |
| C3 | C4 | N1 | H6 | 119.6° | 118.9° |
| C3 | C4 | N1 | H5 | 119.6° | 119.1° |
| C3 | C4 | N1 | C1 | 0.4° | 17.0° |
| C3 | C4 | N1 | N2 | 178.6° | 163.0° |
| C4 | C3 | H4 | H3 | 121.1° | 123.8° |
| C4 | C3 | C2 | H1 | 118.3° | 143.5° |
| C4 | C3 | C2 | H2 | 120.5° | 94.0° |
| C3 | C4 | H6 | H5 | 121.0° | 122.0° |
| C2 | C1 | N1 | C4 | 0.3° | 0.4° |
| C2 | C1 | N1 | O1 | 179.8° | 180.0° |
| C2 | C1 | N1 | N2 | 179.3° | 179.6° |
| C1 | C2 | C3 | H4 | 118.5° | 142.9° |
| C1 | C2 | C3 | H3 | 120.7° | 93.3° |
| C1 | C2 | H1 | H2 | 121.9° | 122.6° |
| C4 | N1 | C1 | N2 | 179.0° | 180.0° |
| C4 | N1 | C1 | O1 | 179.9° | 179.6° |
| C4 | N1 | N2 | C5 | 109.0° | 105.0° |
| C4 | N1 | N2 | H7 | 13.5° | 75.3° |
| N1 | C4 | C3 | H4 | 118.7° | 143.5° |
| N1 | C4 | C3 | H3 | 120.6° | 92.7° |
| N1 | C4 | H6 | H5 | 121.1° | 122.0° |
| C1 | N1 | N2 | C5 | 69.8° | 75.1° |
| C1 | N1 | N2 | H7 | 167.7° | 104.7° |
| N1 | C1 | C2 | H1 | 118.5° | 134.9° |
| N1 | C1 | C2 | H2 | 120.3° | 102.4° |
| C1 | N1 | C4 | H6 | 120.0° | 102.0° |
| C1 | N1 | C4 | H5 | 119.2° | 136.0° |
| O1 | C1 | N1 | N2 | 0.9° | 0.4° |
| O1 | C1 | C2 | H1 | 61.3° | 45.0° |
| O1 | C1 | C2 | H2 | 60.0° | 77.6° |
| N1 | N2 | C5 | H7 | 122.5° | 179.7° |
| N1 | N2 | C5 | N7 | 7.5° | 0.2° |
| N1 | N2 | C5 | C6 | 172.4° | 179.7° |
| N2 | N1 | C4 | H6 | 59.0° | 78.1° |
| N2 | N1 | C4 | H5 | 61.8° | 43.9° |
| N2 | C5 | N7 | C6 | 180.0° | 179.9° |
| N2 | C5 | N7 | C15 | 180.0° | 179.5° |
| N2 | C5 | C6 | C7 | 179.9° | 179.9° |
| N2 | C5 | C6 | H8 | 0.1° | 0.3° |
| N7 | C5 | C6 | C7 | 0.0° | 0.0° |
| C5 | N7 | C15 | N6 | 0.1° | 0.8° |
| N7 | C5 | N2 | H7 | 115.0° | 180.0° |
| N7 | C5 | C6 | H8 | 179.9° | 179.7° |
| C5 | N7 | C15 | H15 | 179.9° | 179.7° |
| C6 | C5 | N7 | C15 | 0.0° | 0.5° |
| C5 | C6 | C7 | H8 | 180.0° | 179.7° |
| C5 | C6 | C7 | N6 | 0.0° | 0.2° |
| C5 | C6 | C7 | N3 | 180.0° | 179.8° |
| C6 | C5 | N2 | H7 | 65.1° | 0.0° |
| N7 | C15 | N6 | H15 | 180.0° | 179.5° |
| N7 | C15 | N6 | C7 | 0.1° | 0.5° |
| C6 | C7 | N6 | C15 | 0.0° | 0.0° |
| C6 | C7 | N6 | N3 | 179.9° | 180.0° |
| C6 | C7 | N3 | C8 | 5.7° | 174.3° |
| C6 | C7 | N3 | H9 | 174.3° | 5.7° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C9 | C10 | C11 | N4 | 180.0° | 180.0° |
| C10 | C9 | C8 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | C13 | 0.1° | 0.1° |
| C10 | C9 | C8 | N3 | 179.7° | 179.8° |
| C10 | C9 | C8 | C14 | 0.1° | 0.0° |
| C10 | C11 | N4 | C13 | 180.0° | 179.9° |
| C10 | C11 | N4 | N5 | 179.9° | 180.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C10 | C11 | C13 | C12 | 179.9° | 180.0° |
| C10 | C11 | C13 | C14 | 0.0° | 0.0° |
| C11 | C10 | C9 | H10 | 179.9° | 179.7° |
| C10 | C11 | N4 | H12 | 0.0° | 0.1° |
| C11 | N4 | N5 | H12 | 180.0° | 179.9° |
| C11 | N4 | N5 | C12 | 0.1° | 0.1° |
| N4 | C11 | C13 | C12 | 0.1° | 0.1° |
| N4 | C11 | C13 | C14 | 180.0° | 180.0° |
| N4 | C11 | C10 | H11 | 0.0° | 0.0° |
| N5 | N4 | C11 | C13 | 0.0° | 0.1° |
| N4 | N5 | C12 | C13 | 0.1° | 0.0° |
| N4 | N5 | C12 | H13 | 179.9° | 180.0° |
| C9 | C8 | N3 | C7 | 44.1° | 147.0° |
| C9 | C8 | N3 | C14 | 179.8° | 179.7° |
| C9 | C8 | C14 | C13 | 0.0° | 0.1° |
| C9 | C8 | C14 | H14 | 180.0° | 179.9° |
| C8 | C9 | C10 | H11 | 179.9° | 180.0° |
| C9 | C8 | N3 | H9 | 135.9° | 33.0° |
| C11 | C13 | C12 | N5 | 0.1° | 0.0° |
| C11 | C13 | C14 | C8 | 0.0° | 0.0° |
| C11 | C13 | C12 | C14 | 179.8° | 179.9° |
| C11 | C13 | C12 | H13 | 179.9° | 179.9° |
| C11 | C13 | C14 | H14 | 179.9° | 179.9° |
| C13 | C11 | C10 | H11 | 179.9° | 179.9° |
| C13 | C11 | N4 | H12 | 180.0° | 180.0° |
| C15 | N6 | C7 | N3 | 179.9° | 180.0° |
| N6 | C7 | N3 | C8 | 174.3° | 5.7° |
| N6 | C7 | C6 | H8 | 179.9° | 180.0° |
| C7 | N6 | C15 | H15 | 179.9° | 180.0° |
| N6 | C7 | N3 | H9 | 5.7° | 174.3° |
| C7 | N3 | C8 | H9 | 180.0° | 180.0° |
| C7 | N3 | C8 | C14 | 135.7° | 33.2° |
| N3 | C7 | C6 | H8 | 0.0° | 0.0° |
| N5 | C12 | C13 | H13 | 180.0° | 180.0° |
| N5 | C12 | C13 | C14 | 180.0° | 179.9° |
| C12 | N5 | N4 | H12 | 179.9° | 180.0° |
| N3 | C8 | C14 | C13 | 179.8° | 179.8° |
| N3 | C8 | C9 | H10 | 0.3° | 0.1° |
| N3 | C8 | C14 | H14 | 0.2° | 0.4° |
| C8 | C14 | C13 | C12 | 179.9° | 179.9° |
| C8 | C14 | C13 | H14 | 180.0° | 179.9° |
| C14 | C8 | C9 | H10 | 179.9° | 179.6° |
| C14 | C8 | N3 | H9 | 44.3° | 146.8° |
| C12 | C13 | C14 | H14 | 0.1° | 0.0° |
| C14 | C13 | C12 | H13 | 0.0° | 0.0° |
| H4 | C3 | C2 | H1 | 122.1° | 98.4° |
| H4 | C3 | C2 | H2 | 0.9° | 24.2° |
| H4 | C3 | C4 | H6 | 1.0° | 24.5° |
| H4 | C3 | C4 | H5 | 121.7° | 97.5° |
| H3 | C3 | C2 | H1 | 1.4° | 25.4° |
| H3 | C3 | C2 | H2 | 119.9° | 148.0° |
| H3 | C3 | C4 | H6 | 119.8° | 148.3° |
| H3 | C3 | C4 | H5 | 1.0° | 26.3° |
| H10 | C9 | C10 | H11 | 0.1° | 0.3° |
