A1PRZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C2 | sing | 1.51Å | 1.53Å | |
| N8 | C4 | doub | 1.31Å | 1.34Å | Aromatic |
| N8 | N4 | sing | 1.29Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C2 | N1 | sing | 1.46Å | 1.45Å | |
| C4 | N2 | sing | 1.35Å | 1.35Å | Aromatic |
| N4 | N3 | doub | 1.29Å | 1.34Å | Aromatic |
| O1 | C1 | doub | 1.22Å | 1.22Å | |
| N1 | C1 | sing | 1.35Å | 1.33Å | |
| N2 | N3 | sing | 1.29Å | 1.34Å | Aromatic |
| C1 | C11 | sing | 1.48Å | 1.49Å | |
| C11 | N5 | doub | 1.33Å | 1.36Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.46Å | 1.44Å | Aromatic |
| C15 | C14 | doub | 1.35Å | 1.37Å | Aromatic |
| N5 | C12 | sing | 1.32Å | 1.33Å | Aromatic |
| C16 | C13 | doub | 1.42Å | 1.42Å | Aromatic |
| C14 | N7 | sing | 1.37Å | 1.38Å | Aromatic |
| C12 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| C13 | N6 | sing | 1.32Å | 1.35Å | Aromatic |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| N7 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 120.1° | 120.0° |
| C7 | C8 | C9 | 120.0° | 119.9° |
| C8 | C7 | H6 | 120.0° | 120.0° |
| C7 | C8 | H7 | 120.0° | 120.0° |
| C7 | C6 | C5 | 120.3° | 120.0° |
| C7 | C6 | H5 | 119.9° | 120.0° |
| C6 | C7 | H6 | 119.9° | 120.0° |
| C8 | C9 | C10 | 120.1° | 120.1° |
| C9 | C8 | H7 | 120.0° | 120.0° |
| C8 | C9 | H8 | 119.9° | 120.0° |
| C6 | C5 | C10 | 119.3° | 120.0° |
| C6 | C5 | C2 | 119.9° | 120.0° |
| C5 | C6 | H5 | 119.9° | 120.0° |
| C9 | C10 | C5 | 120.2° | 120.0° |
| C9 | C10 | H9 | 119.9° | 120.0° |
| C10 | C9 | H8 | 119.9° | 120.0° |
| C10 | C5 | C2 | 120.7° | 120.0° |
| C5 | C10 | H9 | 119.9° | 120.0° |
| C5 | C2 | C3 | 117.2° | 109.5° |
| C5 | C2 | N1 | 109.7° | 109.4° |
| C5 | C2 | H2 | 107.0° | 109.5° |
| C4 | N8 | N4 | 103.6° | 107.9° |
| N8 | C4 | C3 | 121.2° | 126.6° |
| N8 | C4 | N2 | 113.8° | 106.7° |
| N8 | N4 | N3 | 109.5° | 109.4° |
| C2 | C3 | C4 | 107.8° | 109.5° |
| C3 | C2 | N1 | 107.8° | 109.5° |
| C3 | C2 | H2 | 106.8° | 109.5° |
| C2 | C3 | H4 | 109.9° | 109.5° |
| C2 | C3 | H3 | 109.9° | 109.5° |
| C3 | C4 | N2 | 125.0° | 126.7° |
| C4 | C3 | H4 | 109.9° | 109.4° |
| C4 | C3 | H3 | 109.9° | 109.5° |
| C2 | N1 | C1 | 124.4° | 120.0° |
| N1 | C2 | H2 | 108.0° | 109.4° |
| C2 | N1 | H1 | 117.8° | 120.1° |
| C4 | N2 | N3 | 102.9° | 107.1° |
| C4 | N2 | H14 | 128.5° | 126.4° |
| N4 | N3 | N2 | 110.2° | 108.8° |
| O1 | C1 | N1 | 121.9° | 120.0° |
| O1 | C1 | C11 | 122.8° | 120.0° |
| N1 | C1 | C11 | 115.2° | 120.0° |
| C1 | N1 | H1 | 117.8° | 119.9° |
| N3 | N2 | H14 | 128.6° | 126.5° |
| C1 | C11 | N5 | 118.3° | 120.9° |
| C1 | C11 | C16 | 122.5° | 120.9° |
| N5 | C11 | C16 | 119.2° | 118.2° |
| C11 | N5 | C12 | 119.5° | 121.1° |
| C11 | C16 | C15 | 138.0° | 135.3° |
| C11 | C16 | C13 | 114.8° | 118.6° |
| C16 | C15 | C14 | 106.4° | 106.8° |
| C15 | C16 | C13 | 107.2° | 106.1° |
| C16 | C15 | H13 | 126.8° | 126.6° |
| C15 | C14 | N7 | 109.6° | 110.0° |
| C14 | C15 | H13 | 126.8° | 126.6° |
| C15 | C14 | H12 | 125.2° | 125.0° |
| N5 | C12 | N6 | 127.5° | 122.8° |
| N5 | C12 | H10 | 116.2° | 118.6° |
| C16 | C13 | N7 | 107.3° | 107.0° |
| C16 | C13 | N6 | 126.4° | 118.5° |
| C14 | N7 | C13 | 109.5° | 110.0° |
| N7 | C14 | H12 | 125.2° | 125.0° |
| C14 | N7 | H11 | 125.3° | 125.0° |
| C12 | N6 | C13 | 112.6° | 120.8° |
| N6 | C12 | H10 | 116.3° | 118.6° |
| N7 | C13 | N6 | 126.3° | 134.5° |
| C13 | N7 | H11 | 125.2° | 125.0° |
| H4 | C3 | H3 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H6 | 180.0° | 179.7° |
| C7 | C8 | C9 | H7 | 180.0° | 179.7° |
| C8 | C7 | C6 | C5 | 0.3° | 0.0° |
| C7 | C8 | C9 | C10 | 0.4° | 0.6° |
| C8 | C7 | C6 | H5 | 179.7° | 180.0° |
| C7 | C8 | C9 | H8 | 179.6° | 180.0° |
| C6 | C7 | C8 | C9 | 0.4° | 0.3° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 1.0° | 0.0° |
| C7 | C6 | C5 | C2 | 179.7° | 180.0° |
| C6 | C7 | C8 | H7 | 179.6° | 180.0° |
| C8 | C9 | C10 | H8 | 180.0° | 179.4° |
| C8 | C9 | C10 | C5 | 0.3° | 0.6° |
| C8 | C9 | C10 | H9 | 179.7° | 179.7° |
| C9 | C8 | C7 | H6 | 179.6° | 180.0° |
| C6 | C5 | C10 | C9 | 1.0° | 0.3° |
| C6 | C5 | C10 | C2 | 178.7° | 180.0° |
| C6 | C5 | C2 | C3 | 143.3° | 80.0° |
| C6 | C5 | C2 | N1 | 93.4° | 40.1° |
| C6 | C5 | C10 | H9 | 179.0° | 180.0° |
| C6 | C5 | C2 | H2 | 23.5° | 160.0° |
| C5 | C6 | C7 | H6 | 179.7° | 179.7° |
| C9 | C10 | C5 | H9 | 180.0° | 179.7° |
| C9 | C10 | C5 | C2 | 179.7° | 179.7° |
| C10 | C9 | C8 | H7 | 179.6° | 179.7° |
| C10 | C5 | C2 | C3 | 38.0° | 100.0° |
| C10 | C5 | C2 | N1 | 85.3° | 140.0° |
| C10 | C5 | C2 | H2 | 157.8° | 20.0° |
| C10 | C5 | C6 | H5 | 179.0° | 180.0° |
| C5 | C10 | C9 | H8 | 179.7° | 180.0° |
| C5 | C2 | C3 | N1 | 124.2° | 120.0° |
| C5 | C2 | C3 | H2 | 119.9° | 120.0° |
| C5 | C2 | C3 | C4 | 179.0° | 175.0° |
| C5 | C2 | N1 | H2 | 116.3° | 120.0° |
| C5 | C2 | N1 | C1 | 83.2° | 155.0° |
| C2 | C5 | C10 | H9 | 0.3° | 0.0° |
| C5 | C2 | C3 | H4 | 59.3° | 55.0° |
| C5 | C2 | C3 | H3 | 61.2° | 65.0° |
| C2 | C5 | C6 | H5 | 0.3° | 0.0° |
| C5 | C2 | N1 | H1 | 96.8° | 25.1° |
| N8 | C4 | C3 | C2 | 88.6° | 55.4° |
| N8 | C4 | C3 | N2 | 178.0° | 179.7° |
| C4 | N8 | N4 | N3 | 1.1° | 0.4° |
| N8 | C4 | N2 | N3 | 0.4° | 0.2° |
| N8 | C4 | C3 | H4 | 31.2° | 175.4° |
| N8 | C4 | C3 | H3 | 151.7° | 64.7° |
| N8 | C4 | N2 | H14 | 179.6° | 179.7° |
| N4 | N8 | C4 | C3 | 179.1° | 179.9° |
| N4 | N8 | C4 | N2 | 0.9° | 0.4° |
| N8 | N4 | N3 | N2 | 0.9° | 0.2° |
| C2 | C3 | C4 | H4 | 119.8° | 120.0° |
| C2 | C3 | C4 | H3 | 119.8° | 120.0° |
| C3 | C2 | N1 | H2 | 115.1° | 120.0° |
| C2 | C3 | C4 | N2 | 89.5° | 125.0° |
| C3 | C2 | N1 | C1 | 148.2° | 85.0° |
| C2 | C3 | H4 | H3 | 120.8° | 120.0° |
| C3 | C2 | N1 | H1 | 31.8° | 94.9° |
| C4 | C3 | C2 | N1 | 56.8° | 65.0° |
| C3 | C4 | N2 | N3 | 178.5° | 179.9° |
| C4 | C3 | C2 | H2 | 59.1° | 54.9° |
| C4 | C3 | H4 | H3 | 120.8° | 120.0° |
| C3 | C4 | N2 | H14 | 1.5° | 0.0° |
| C2 | N1 | C1 | O1 | 1.4° | 0.1° |
| C2 | N1 | C1 | H1 | 180.0° | 179.9° |
| C2 | N1 | C1 | C11 | 179.5° | 180.0° |
| N1 | C2 | C3 | H4 | 176.5° | 175.0° |
| N1 | C2 | C3 | H3 | 63.0° | 55.0° |
| C4 | N2 | N3 | N4 | 0.3° | 0.0° |
| C4 | N2 | N3 | H14 | 180.0° | 180.0° |
| N2 | C4 | C3 | H4 | 150.8° | 5.0° |
| N2 | C4 | C3 | H3 | 30.3° | 115.0° |
| N4 | N3 | N2 | H14 | 179.7° | 180.0° |
| O1 | C1 | N1 | C11 | 179.2° | 179.9° |
| O1 | C1 | C11 | N5 | 178.4° | 180.0° |
| O1 | C1 | C11 | C16 | 0.5° | 0.0° |
| O1 | C1 | N1 | H1 | 178.6° | 180.0° |
| N1 | C1 | C11 | N5 | 2.5° | 0.1° |
| N1 | C1 | C11 | C16 | 179.6° | 180.0° |
| C1 | N1 | C2 | H2 | 33.1° | 35.1° |
| C1 | C11 | N5 | C16 | 177.9° | 180.0° |
| C1 | C11 | C16 | C15 | 1.5° | 0.0° |
| C1 | C11 | N5 | C12 | 179.8° | 180.0° |
| C1 | C11 | C16 | C13 | 179.3° | 180.0° |
| C11 | C1 | N1 | H1 | 0.5° | 0.1° |
| N5 | C11 | C16 | C15 | 179.3° | 180.0° |
| N5 | C11 | C16 | C13 | 1.4° | 0.0° |
| C11 | N5 | C12 | N6 | 2.2° | 0.2° |
| C11 | N5 | C12 | H10 | 177.8° | 179.8° |
| C11 | C16 | C15 | C13 | 179.3° | 180.0° |
| C11 | C16 | C15 | C14 | 178.9° | 180.0° |
| C16 | C11 | N5 | C12 | 1.9° | 0.0° |
| C11 | C16 | C13 | N7 | 179.5° | 180.0° |
| C11 | C16 | C13 | N6 | 1.3° | 0.2° |
| C11 | C16 | C15 | H13 | 1.1° | 0.0° |
| C16 | C15 | C14 | H13 | 180.0° | 180.0° |
| C16 | C15 | C14 | N7 | 0.7° | 0.0° |
| C15 | C16 | C13 | N7 | 0.0° | 0.0° |
| C15 | C16 | C13 | N6 | 179.2° | 179.8° |
| C16 | C15 | C14 | H12 | 179.3° | 180.0° |
| C14 | C15 | C16 | C13 | 0.4° | 0.0° |
| C15 | C14 | N7 | H12 | 180.0° | 180.0° |
| C15 | C14 | N7 | C13 | 0.7° | 0.0° |
| C15 | C14 | N7 | H11 | 179.3° | 179.8° |
| N5 | C12 | N6 | H10 | 180.0° | 179.6° |
| N5 | C12 | N6 | C13 | 1.9° | 0.4° |
| C16 | C13 | N7 | C14 | 0.5° | 0.0° |
| C16 | C13 | N6 | C12 | 1.4° | 0.4° |
| C16 | C13 | N7 | N6 | 179.2° | 179.7° |
| C13 | C16 | C15 | H13 | 179.7° | 180.0° |
| C16 | C13 | N7 | H11 | 179.5° | 179.7° |
| C14 | N7 | C13 | H11 | 180.0° | 179.7° |
| C14 | N7 | C13 | N6 | 179.6° | 179.7° |
| N7 | C14 | C15 | H13 | 179.4° | 180.0° |
| C12 | N6 | C13 | N7 | 179.6° | 179.9° |
| C13 | N7 | C14 | H12 | 179.3° | 180.0° |
| C13 | N6 | C12 | H10 | 178.2° | 180.0° |
| N6 | C13 | N7 | H11 | 0.3° | 0.0° |
| H13 | C15 | C14 | H12 | 0.7° | 0.1° |
| H9 | C10 | C9 | H8 | 0.3° | 0.3° |
| H12 | C14 | N7 | H11 | 0.8° | 0.3° |
| H2 | C2 | C3 | H4 | 60.6° | 65.0° |
| H2 | C2 | C3 | H3 | 178.9° | 175.0° |
| H2 | C2 | N1 | H1 | 146.9° | 145.0° |
| H5 | C6 | C7 | H6 | 0.3° | 0.3° |
| H6 | C7 | C8 | H7 | 0.4° | 0.3° |
| H7 | C8 | C9 | H8 | 0.4° | 0.3° |
