A1BAM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C8 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.53Å | 1.59Å | |
| C7 | N4 | sing | 1.46Å | 1.48Å | |
| C8 | O1 | sing | 1.43Å | 1.40Å | |
| N4 | C6 | sing | 1.38Å | 1.37Å | |
| C1 | C2 | sing | 1.51Å | 1.46Å | |
| C6 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | N3 | sing | 1.33Å | 1.37Å | Aromatic |
| C2 | C14 | sing | 1.46Å | 1.42Å | Aromatic |
| C2 | C3 | doub | 1.34Å | 1.40Å | Aromatic |
| C14 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| N3 | C5 | doub | 1.32Å | 1.36Å | Aromatic |
| C3 | N1 | sing | 1.37Å | 1.41Å | Aromatic |
| C5 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | N1 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | N2 | doub | 1.33Å | 1.38Å | Aromatic |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N4 | H7 | sing | 0.97Å | 1.00Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 110.7° | 109.4° |
| C11 | C12 | C13 | 112.3° | 109.5° |
| C11 | C12 | H17 | 108.8° | 109.5° |
| C11 | C12 | H18 | 108.7° | 109.5° |
| C12 | C11 | H15 | 109.2° | 109.5° |
| C12 | C11 | H16 | 109.2° | 109.5° |
| C11 | C10 | C9 | 112.1° | 109.5° |
| C11 | C10 | H14 | 108.8° | 109.4° |
| C11 | C10 | H13 | 108.8° | 109.5° |
| C10 | C11 | H15 | 109.2° | 109.4° |
| C10 | C11 | H16 | 109.2° | 109.5° |
| C12 | C13 | C8 | 111.3° | 109.5° |
| C13 | C12 | H17 | 108.7° | 109.4° |
| C13 | C12 | H18 | 108.8° | 109.5° |
| C12 | C13 | H20 | 109.0° | 109.5° |
| C12 | C13 | H19 | 109.0° | 109.4° |
| C13 | C8 | C9 | 107.1° | 109.5° |
| C13 | C8 | C7 | 109.3° | 109.5° |
| C13 | C8 | O1 | 110.2° | 109.5° |
| C8 | C13 | H20 | 109.0° | 109.5° |
| C8 | C13 | H19 | 109.0° | 109.4° |
| C10 | C9 | C8 | 113.9° | 109.5° |
| C10 | C9 | H11 | 108.3° | 109.5° |
| C10 | C9 | H12 | 108.3° | 109.5° |
| C9 | C10 | H14 | 108.8° | 109.5° |
| C9 | C10 | H13 | 108.8° | 109.5° |
| C9 | C8 | C7 | 112.2° | 109.5° |
| C9 | C8 | O1 | 106.3° | 109.5° |
| C8 | C9 | H11 | 108.3° | 109.5° |
| C8 | C9 | H12 | 108.3° | 109.5° |
| C8 | C7 | N4 | 116.9° | 109.5° |
| C7 | C8 | O1 | 111.7° | 109.4° |
| C8 | C7 | H8 | 107.6° | 109.4° |
| C8 | C7 | H9 | 107.6° | 109.5° |
| C7 | N4 | C6 | 124.2° | 120.0° |
| N4 | C7 | H8 | 107.6° | 109.5° |
| N4 | C7 | H9 | 107.6° | 109.5° |
| C7 | N4 | H7 | 105.7° | 120.0° |
| C8 | O1 | H10 | 109.5° | 114.0° |
| N4 | C6 | C14 | 124.0° | 120.8° |
| N4 | C6 | N3 | 116.4° | 120.8° |
| C6 | N4 | H7 | 105.7° | 120.0° |
| C1 | C2 | C14 | 127.0° | 126.6° |
| C1 | C2 | C3 | 124.5° | 126.6° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C14 | C6 | N3 | 119.6° | 118.3° |
| C6 | C14 | C2 | 139.1° | 135.1° |
| C6 | C14 | C4 | 115.2° | 118.7° |
| C6 | N3 | C5 | 118.4° | 121.0° |
| C14 | C2 | C3 | 108.5° | 106.8° |
| C2 | C14 | C4 | 105.8° | 106.2° |
| C2 | C3 | N1 | 108.4° | 109.8° |
| C2 | C3 | H4 | 125.8° | 125.1° |
| C14 | C4 | N1 | 110.1° | 107.2° |
| C14 | C4 | N2 | 126.4° | 118.6° |
| N3 | C5 | N2 | 128.4° | 122.8° |
| N3 | C5 | H6 | 115.8° | 118.6° |
| C3 | N1 | C4 | 107.2° | 110.0° |
| N1 | C3 | H4 | 125.8° | 125.1° |
| C3 | N1 | H5 | 126.4° | 125.0° |
| C5 | N2 | C4 | 112.0° | 120.7° |
| N2 | C5 | H6 | 115.8° | 118.7° |
| N1 | C4 | N2 | 123.4° | 134.3° |
| C4 | N1 | H5 | 126.4° | 125.0° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H14 | C10 | H13 | 109.5° | 109.4° |
| H15 | C11 | H16 | 109.4° | 109.5° |
| H20 | C13 | H19 | 109.4° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H15 | 120.2° | 120.0° |
| C12 | C11 | C10 | H16 | 120.2° | 120.0° |
| C11 | C12 | C13 | H17 | 120.4° | 120.0° |
| C11 | C12 | C13 | H18 | 120.4° | 120.0° |
| C11 | C12 | C13 | C8 | 59.4° | 60.0° |
| C12 | C11 | C10 | C9 | 50.6° | 60.0° |
| C11 | C12 | H17 | H18 | 118.7° | 120.0° |
| C12 | C11 | C10 | H14 | 170.9° | 60.0° |
| C12 | C11 | C10 | H13 | 69.8° | 180.0° |
| C12 | C11 | H15 | H16 | 119.4° | 120.0° |
| C11 | C12 | C13 | H20 | 179.7° | 180.0° |
| C11 | C12 | C13 | H19 | 60.9° | 60.0° |
| C10 | C11 | C12 | C13 | 54.1° | 60.0° |
| C11 | C10 | C9 | H14 | 120.4° | 120.0° |
| C11 | C10 | C9 | H13 | 120.4° | 120.0° |
| C11 | C10 | C9 | C8 | 53.8° | 60.0° |
| C11 | C10 | C9 | H11 | 66.8° | 60.0° |
| C11 | C10 | C9 | H12 | 174.5° | 180.0° |
| C10 | C11 | C12 | H17 | 66.4° | 60.0° |
| C10 | C11 | C12 | H18 | 174.5° | 179.9° |
| C11 | C10 | H14 | H13 | 118.8° | 120.0° |
| C10 | C11 | H15 | H16 | 119.5° | 120.0° |
| C12 | C13 | C8 | H20 | 120.3° | 120.1° |
| C12 | C13 | C8 | H19 | 120.3° | 119.9° |
| C12 | C13 | C8 | C9 | 57.9° | 60.0° |
| C12 | C13 | C8 | C7 | 179.6° | 180.0° |
| C12 | C13 | C8 | O1 | 57.3° | 60.1° |
| C13 | C12 | H17 | H18 | 118.7° | 120.0° |
| C13 | C12 | C11 | H15 | 66.1° | 60.0° |
| C13 | C12 | C11 | H16 | 174.2° | 180.0° |
| C12 | C13 | H20 | H19 | 119.2° | 120.0° |
| C13 | C8 | C9 | C10 | 56.0° | 60.0° |
| C13 | C8 | C9 | C7 | 119.9° | 120.0° |
| C13 | C8 | C9 | O1 | 117.8° | 120.0° |
| C13 | C8 | C7 | O1 | 122.2° | 120.0° |
| C13 | C8 | C7 | N4 | 176.2° | 55.0° |
| C13 | C8 | C9 | H11 | 64.7° | 60.0° |
| C13 | C8 | C9 | H12 | 176.7° | 180.0° |
| C8 | C13 | C12 | H17 | 61.0° | 60.1° |
| C8 | C13 | C12 | H18 | 179.8° | 180.0° |
| C8 | C13 | H20 | H19 | 119.2° | 120.0° |
| C13 | C8 | C7 | H8 | 62.7° | 65.0° |
| C13 | C8 | C7 | H9 | 55.1° | 175.0° |
| C13 | C8 | O1 | H10 | 180.0° | 59.9° |
| C10 | C9 | C8 | H11 | 120.7° | 120.0° |
| C10 | C9 | C8 | H12 | 120.6° | 120.0° |
| C10 | C9 | C8 | C7 | 175.9° | 180.0° |
| C10 | C9 | C8 | O1 | 61.8° | 60.0° |
| C10 | C9 | H11 | H12 | 117.9° | 120.0° |
| C9 | C10 | H14 | H13 | 118.8° | 120.0° |
| C9 | C10 | C11 | H15 | 69.6° | 60.0° |
| C9 | C10 | C11 | H16 | 170.8° | 180.0° |
| C9 | C8 | C7 | O1 | 119.2° | 120.0° |
| C9 | C8 | C7 | N4 | 57.7° | 175.0° |
| C8 | C9 | H11 | H12 | 118.0° | 120.0° |
| C8 | C9 | C10 | H14 | 174.2° | 60.0° |
| C8 | C9 | C10 | H13 | 66.5° | 180.0° |
| C9 | C8 | C13 | H20 | 178.2° | 180.0° |
| C9 | C8 | C13 | H19 | 62.4° | 60.0° |
| C9 | C8 | C7 | H8 | 178.7° | 55.0° |
| C9 | C8 | C7 | H9 | 63.4° | 65.0° |
| C9 | C8 | O1 | H10 | 64.3° | 179.9° |
| C8 | C7 | N4 | H8 | 121.1° | 120.0° |
| C8 | C7 | N4 | H9 | 121.1° | 120.0° |
| C8 | C7 | N4 | C6 | 75.5° | 180.0° |
| C7 | C8 | C9 | H11 | 55.2° | 60.0° |
| C7 | C8 | C9 | H12 | 63.4° | 60.0° |
| C7 | C8 | C13 | H20 | 60.1° | 59.9° |
| C7 | C8 | C13 | H19 | 59.3° | 60.1° |
| C8 | C7 | H8 | H9 | 116.6° | 120.0° |
| C8 | C7 | N4 | H7 | 162.5° | 0.0° |
| C7 | C8 | O1 | H10 | 58.3° | 60.1° |
| N4 | C7 | C8 | O1 | 61.6° | 65.0° |
| C7 | N4 | C6 | H7 | 122.0° | 180.0° |
| C7 | N4 | C6 | C14 | 169.3° | 180.0° |
| C7 | N4 | C6 | N3 | 9.9° | 0.1° |
| N4 | C7 | H8 | H9 | 116.7° | 120.0° |
| O1 | C8 | C9 | H11 | 177.6° | 180.0° |
| O1 | C8 | C9 | H12 | 58.9° | 60.0° |
| O1 | C8 | C13 | H20 | 63.0° | 60.0° |
| O1 | C8 | C13 | H19 | 177.6° | 180.0° |
| O1 | C8 | C7 | H8 | 59.5° | 175.0° |
| O1 | C8 | C7 | H9 | 177.3° | 55.0° |
| N4 | C6 | C14 | N3 | 179.2° | 179.9° |
| N4 | C6 | C14 | C2 | 0.6° | 0.1° |
| N4 | C6 | C14 | C4 | 179.9° | 180.0° |
| N4 | C6 | N3 | C5 | 179.9° | 179.9° |
| C6 | N4 | C7 | H8 | 45.6° | 60.0° |
| C6 | N4 | C7 | H9 | 163.4° | 60.0° |
| C1 | C2 | C14 | C6 | 0.0° | 0.0° |
| C1 | C2 | C14 | C3 | 180.0° | 180.0° |
| C1 | C2 | C14 | C4 | 179.5° | 180.0° |
| C1 | C2 | C3 | N1 | 179.5° | 180.0° |
| C1 | C2 | C3 | H4 | 0.5° | 0.1° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C6 | C14 | C2 | C4 | 179.5° | 180.0° |
| C6 | C14 | C2 | C3 | 180.0° | 180.0° |
| C14 | C6 | N3 | C5 | 0.9° | 0.0° |
| C6 | C14 | C4 | N1 | 180.0° | 180.0° |
| C6 | C14 | C4 | N2 | 0.2° | 0.1° |
| C14 | C6 | N4 | H7 | 47.4° | 0.0° |
| N3 | C6 | C14 | C2 | 179.8° | 180.0° |
| N3 | C6 | C14 | C4 | 0.7° | 0.1° |
| C6 | N3 | C5 | N2 | 0.5° | 0.0° |
| C6 | N3 | C5 | H6 | 179.5° | 179.9° |
| N3 | C6 | N4 | H7 | 131.8° | 179.9° |
| C14 | C2 | C3 | N1 | 0.5° | 0.0° |
| C2 | C14 | C4 | N1 | 0.3° | 0.0° |
| C2 | C14 | C4 | N2 | 179.9° | 180.0° |
| C14 | C2 | C3 | H4 | 179.5° | 180.0° |
| C14 | C2 | C1 | H3 | 90.0° | 90.0° |
| C14 | C2 | C1 | H1 | 150.0° | 150.0° |
| C14 | C2 | C1 | H2 | 30.0° | 30.0° |
| C3 | C2 | C14 | C4 | 0.5° | 0.0° |
| C2 | C3 | N1 | H4 | 180.0° | 180.0° |
| C2 | C3 | N1 | C4 | 0.3° | 0.0° |
| C3 | C2 | C1 | H3 | 90.0° | 90.0° |
| C3 | C2 | C1 | H1 | 30.0° | 30.0° |
| C3 | C2 | C1 | H2 | 150.0° | 150.0° |
| C2 | C3 | N1 | H5 | 179.7° | 179.9° |
| C14 | C4 | N1 | C3 | 0.0° | 0.0° |
| C14 | C4 | N2 | C5 | 0.1° | 0.0° |
| C14 | C4 | N1 | N2 | 179.8° | 179.9° |
| C14 | C4 | N1 | H5 | 180.0° | 179.9° |
| N3 | C5 | N2 | H6 | 180.0° | 179.9° |
| N3 | C5 | N2 | C4 | 0.0° | 0.0° |
| C3 | N1 | C4 | H5 | 180.0° | 179.9° |
| C3 | N1 | C4 | N2 | 179.9° | 179.9° |
| C5 | N2 | C4 | N1 | 179.7° | 179.9° |
| C4 | N1 | C3 | H4 | 179.7° | 179.9° |
| C4 | N2 | C5 | H6 | 180.0° | 179.9° |
| N2 | C4 | N1 | H5 | 0.2° | 0.1° |
| H4 | C3 | N1 | H5 | 0.3° | 0.0° |
| H11 | C9 | C10 | H14 | 53.6° | 180.0° |
| H11 | C9 | C10 | H13 | 172.8° | 60.0° |
| H12 | C9 | C10 | H14 | 65.1° | 60.0° |
| H12 | C9 | C10 | H13 | 54.1° | 60.0° |
| H17 | C12 | C11 | H15 | 173.5° | 180.0° |
| H17 | C12 | C11 | H16 | 53.8° | 60.0° |
| H17 | C12 | C13 | H20 | 59.3° | 60.0° |
| H17 | C12 | C13 | H19 | 178.7° | 180.0° |
| H18 | C12 | C11 | H15 | 54.3° | 60.0° |
| H18 | C12 | C11 | H16 | 65.3° | 60.0° |
| H18 | C12 | C13 | H20 | 59.9° | 60.0° |
| H18 | C12 | C13 | H19 | 59.5° | 60.0° |
| H3 | C1 | H1 | H2 | 120.0° | 120.1° |
| H14 | C10 | C11 | H15 | 50.7° | NaN° |
| H14 | C10 | C11 | H16 | 68.9° | 60.0° |
| H13 | C10 | C11 | H15 | 170.0° | 60.1° |
| H13 | C10 | C11 | H16 | 50.4° | 59.9° |
| H8 | C7 | N4 | H7 | 76.4° | 120.0° |
| H9 | C7 | N4 | H7 | 41.5° | 120.0° |
