A1BMG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N10 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C07 | doub | 1.41Å | 1.39Å | Aromatic |
| C24 | O23 | sing | 1.43Å | 1.43Å | |
| N10 | C09 | sing | 1.37Å | 1.37Å | Aromatic |
| C14 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | O20 | sing | 1.43Å | 1.43Å | |
| O20 | C19 | sing | 1.36Å | 1.37Å | |
| C07 | C06 | sing | 1.41Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.46Å | 1.43Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.47Å | |
| C09 | C08 | doub | 1.34Å | 1.36Å | Aromatic |
| O23 | C22 | sing | 1.36Å | 1.38Å | |
| C19 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| N04 | C05 | sing | 1.34Å | 1.39Å | Aromatic |
| N04 | C03 | doub | 1.32Å | 1.33Å | Aromatic |
| C05 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | O26 | sing | 1.36Å | 1.36Å | |
| C25 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| O26 | C27 | sing | 1.43Å | 1.43Å | |
| C17 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C02 | sing | 1.48Å | 1.49Å | |
| C03 | C02 | sing | 1.47Å | 1.50Å | |
| C03 | N16 | sing | 1.37Å | 1.36Å | Aromatic |
| C15 | N16 | sing | 1.35Å | 1.36Å | Aromatic |
| C02 | O01 | doub | 1.22Å | 1.23Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| N10 | H19 | sing | 0.97Å | 1.00Å | |
| N16 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 118.0° | 120.2° |
| C12 | C13 | C14 | 121.1° | 120.8° |
| C12 | C13 | H1 | 119.5° | 119.6° |
| C13 | C12 | H12 | 121.0° | 119.9° |
| C12 | C11 | N10 | 131.0° | 133.3° |
| C12 | C11 | C07 | 121.8° | 119.5° |
| C11 | C12 | H12 | 121.0° | 119.9° |
| C13 | C14 | C06 | 120.8° | 120.2° |
| C14 | C13 | H1 | 119.5° | 119.6° |
| C13 | C14 | H13 | 119.6° | 119.9° |
| N10 | C11 | C07 | 107.2° | 107.1° |
| C11 | N10 | C09 | 109.0° | 109.8° |
| C11 | N10 | H19 | 125.5° | 125.0° |
| C11 | C07 | C06 | 119.7° | 119.9° |
| C11 | C07 | C08 | 107.7° | 106.2° |
| C24 | O23 | C22 | 115.2° | 117.0° |
| O23 | C24 | H6 | 109.5° | 109.5° |
| O23 | C24 | H7 | 109.5° | 109.5° |
| O23 | C24 | H8 | 109.5° | 109.5° |
| N10 | C09 | C08 | 110.0° | 109.9° |
| N10 | C09 | H11 | 125.0° | 125.0° |
| C09 | N10 | H19 | 125.5° | 125.1° |
| C14 | C06 | C07 | 118.7° | 119.4° |
| C14 | C06 | C05 | 119.8° | 120.3° |
| C06 | C14 | H13 | 119.6° | 119.8° |
| C21 | O20 | C19 | 117.6° | 117.0° |
| O20 | C21 | H3 | 109.5° | 109.5° |
| O20 | C21 | H4 | 109.5° | 109.4° |
| O20 | C21 | H5 | 109.5° | 109.5° |
| O20 | C19 | C22 | 115.8° | 119.9° |
| O20 | C19 | C18 | 124.1° | 120.0° |
| C06 | C07 | C08 | 132.6° | 134.0° |
| C07 | C06 | C05 | 121.6° | 120.3° |
| C07 | C08 | C09 | 106.1° | 107.0° |
| C07 | C08 | H10 | 126.9° | 126.5° |
| C06 | C05 | N04 | 119.4° | 126.1° |
| C06 | C05 | C15 | 131.2° | 126.1° |
| C09 | C08 | H10 | 126.9° | 126.5° |
| C08 | C09 | H11 | 125.0° | 125.1° |
| O23 | C22 | C19 | 120.2° | 120.0° |
| O23 | C22 | C25 | 120.1° | 120.0° |
| C22 | C19 | C18 | 120.1° | 120.1° |
| C19 | C22 | C25 | 119.7° | 120.1° |
| C19 | C18 | C17 | 120.0° | 119.9° |
| C19 | C18 | H14 | 120.0° | 120.0° |
| C22 | C25 | O26 | 115.7° | 120.0° |
| C22 | C25 | C28 | 120.2° | 120.1° |
| C05 | N04 | C03 | 105.1° | 109.1° |
| N04 | C05 | C15 | 109.4° | 107.8° |
| N04 | C03 | C02 | 128.0° | 125.6° |
| N04 | C03 | N16 | 111.3° | 108.8° |
| C05 | C15 | N16 | 106.7° | 106.9° |
| C05 | C15 | H2 | 126.7° | 126.5° |
| C18 | C17 | C28 | 120.2° | 119.9° |
| C18 | C17 | C02 | 119.4° | 120.0° |
| C17 | C18 | H14 | 120.0° | 120.0° |
| O26 | C25 | C28 | 124.1° | 119.9° |
| C25 | O26 | C27 | 117.3° | 117.0° |
| C25 | C28 | C17 | 119.9° | 119.9° |
| C25 | C28 | H9 | 120.1° | 120.1° |
| O26 | C27 | H15 | 109.5° | 109.5° |
| O26 | C27 | H16 | 109.5° | 109.5° |
| O26 | C27 | H17 | 109.5° | 109.5° |
| C28 | C17 | C02 | 120.4° | 120.1° |
| C17 | C28 | H9 | 120.1° | 120.0° |
| C17 | C02 | C03 | 119.9° | 120.0° |
| C17 | C02 | O01 | 121.9° | 120.0° |
| C02 | C03 | N16 | 120.7° | 125.6° |
| C03 | C02 | O01 | 118.2° | 120.0° |
| C03 | N16 | C15 | 107.4° | 107.4° |
| C03 | N16 | H20 | 126.3° | 126.3° |
| N16 | C15 | H2 | 126.6° | 126.5° |
| C15 | N16 | H20 | 126.3° | 126.3° |
| H3 | C21 | H4 | 109.4° | 109.5° |
| H3 | C21 | H5 | 109.5° | 109.5° |
| H4 | C21 | H5 | 109.4° | 109.4° |
| H6 | C24 | H7 | 109.5° | 109.5° |
| H6 | C24 | H8 | 109.5° | 109.4° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H15 | C27 | H16 | 109.4° | 109.4° |
| H15 | C27 | H17 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C13 | C12 | C11 | N10 | 179.8° | 179.1° |
| C13 | C12 | C11 | C07 | 0.1° | 0.5° |
| C12 | C13 | C14 | C06 | 0.2° | 0.2° |
| C12 | C13 | C14 | H13 | 179.9° | 179.8° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | N10 | C07 | 179.8° | 178.8° |
| C12 | C11 | N10 | C09 | 179.9° | 179.5° |
| C12 | C11 | C07 | C06 | 0.2° | 0.7° |
| C12 | C11 | C07 | C08 | 179.8° | 179.7° |
| C11 | C12 | C13 | H1 | 179.9° | 179.7° |
| C12 | C11 | N10 | H19 | 0.1° | 1.2° |
| C13 | C14 | C06 | H13 | 180.0° | 180.0° |
| C13 | C14 | C06 | C07 | 0.0° | 0.0° |
| C13 | C14 | C06 | C05 | 179.8° | 180.0° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C11 | N10 | C09 | H19 | 180.0° | 179.3° |
| N10 | C11 | C07 | C06 | 180.0° | 179.7° |
| N10 | C11 | C07 | C08 | 0.4° | 0.7° |
| C11 | N10 | C09 | C08 | 0.2° | 0.4° |
| C11 | N10 | C09 | H11 | 179.8° | 179.5° |
| N10 | C11 | C12 | H12 | 0.2° | 0.9° |
| C07 | C11 | N10 | C09 | 0.3° | 0.7° |
| C11 | C07 | C06 | C14 | 0.2° | 0.5° |
| C11 | C07 | C06 | C08 | 179.5° | 179.5° |
| C11 | C07 | C06 | C05 | 179.6° | 179.5° |
| C11 | C07 | C08 | C09 | 0.2° | 0.4° |
| C11 | C07 | C08 | H10 | 179.8° | 179.5° |
| C07 | C11 | C12 | H12 | 179.9° | 179.5° |
| C07 | C11 | N10 | H19 | 179.7° | 180.0° |
| C24 | O23 | C22 | C19 | 76.5° | 90.0° |
| C24 | O23 | C22 | C25 | 104.1° | 90.0° |
| O23 | C24 | H6 | H7 | 120.0° | 120.0° |
| O23 | C24 | H6 | H8 | 120.0° | 120.0° |
| O23 | C24 | H7 | H8 | 120.0° | 120.0° |
| N10 | C09 | C08 | C07 | 0.0° | 0.0° |
| N10 | C09 | C08 | H11 | 180.0° | 179.9° |
| N10 | C09 | C08 | H10 | 180.0° | 180.0° |
| C14 | C06 | C07 | C05 | 179.8° | 180.0° |
| C14 | C06 | C07 | C08 | 179.7° | 180.0° |
| C14 | C06 | C05 | N04 | 23.9° | 174.4° |
| C14 | C06 | C05 | C15 | 156.5° | 5.5° |
| C06 | C14 | C13 | H1 | 179.8° | 179.9° |
| C21 | O20 | C19 | C22 | 170.7° | 175.0° |
| C21 | O20 | C19 | C18 | 9.6° | 4.7° |
| O20 | C21 | H3 | H4 | 120.0° | 119.9° |
| O20 | C21 | H3 | H5 | 120.0° | 120.1° |
| O20 | C21 | H4 | H5 | 120.0° | 120.0° |
| O20 | C19 | C22 | O23 | 0.1° | 0.0° |
| O20 | C19 | C22 | C18 | 179.7° | 179.7° |
| O20 | C19 | C22 | C25 | 179.5° | 180.0° |
| O20 | C19 | C18 | C17 | 179.6° | 179.8° |
| C19 | O20 | C21 | H3 | 180.0° | 176.8° |
| C19 | O20 | C21 | H4 | 60.0° | 56.8° |
| C19 | O20 | C21 | H5 | 60.0° | 63.1° |
| O20 | C19 | C18 | H14 | 0.4° | 0.4° |
| C06 | C07 | C08 | C09 | 179.8° | 180.0° |
| C07 | C06 | C05 | N04 | 155.8° | 5.6° |
| C07 | C06 | C05 | C15 | 23.7° | 174.5° |
| C06 | C07 | C08 | H10 | 0.3° | 0.0° |
| C07 | C06 | C14 | H13 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.1° | 0.0° |
| C07 | C08 | C09 | H10 | 180.0° | 180.0° |
| C07 | C08 | C09 | H11 | 180.0° | 179.9° |
| C06 | C05 | N04 | C15 | 179.6° | 180.0° |
| C06 | C05 | N04 | C03 | 179.9° | 180.0° |
| C06 | C05 | C15 | N16 | 179.5° | 180.0° |
| C06 | C05 | C15 | H2 | 0.5° | 0.3° |
| C05 | C06 | C14 | H13 | 0.2° | 0.0° |
| C08 | C09 | N10 | H19 | 179.8° | 179.8° |
| O23 | C22 | C19 | C25 | 179.4° | 180.0° |
| O23 | C22 | C19 | C18 | 179.6° | 179.7° |
| O23 | C22 | C25 | O26 | 0.6° | 0.1° |
| O23 | C22 | C25 | C28 | 180.0° | 179.5° |
| C22 | O23 | C24 | H6 | 180.0° | 60.0° |
| C22 | O23 | C24 | H7 | 60.0° | 60.0° |
| C22 | O23 | C24 | H8 | 60.0° | 180.0° |
| C22 | C19 | C18 | C17 | 0.1° | 0.0° |
| C19 | C22 | C25 | O26 | 180.0° | 180.0° |
| C19 | C22 | C25 | C28 | 0.6° | 0.5° |
| C22 | C19 | C18 | H14 | 179.9° | 179.9° |
| C18 | C19 | C22 | C25 | 0.2° | 0.3° |
| C19 | C18 | C17 | H14 | 180.0° | 179.9° |
| C19 | C18 | C17 | C28 | 0.3° | 0.0° |
| C19 | C18 | C17 | C02 | 179.8° | 179.8° |
| C22 | C25 | O26 | C28 | 179.4° | 179.5° |
| C22 | C25 | O26 | C27 | 147.8° | 180.0° |
| C22 | C25 | C28 | C17 | 0.8° | 0.5° |
| C22 | C25 | C28 | H9 | 179.2° | 179.4° |
| C05 | N04 | C03 | C02 | 179.3° | 180.0° |
| C05 | N04 | C03 | N16 | 0.5° | 0.0° |
| N04 | C05 | C15 | N16 | 0.0° | 0.0° |
| N04 | C05 | C15 | H2 | 179.9° | 179.8° |
| C03 | N04 | C05 | C15 | 0.3° | 0.0° |
| N04 | C03 | C02 | C17 | 33.9° | 85.1° |
| N04 | C03 | C02 | N16 | 178.7° | 180.0° |
| N04 | C03 | N16 | C15 | 0.6° | 0.0° |
| N04 | C03 | C02 | O01 | 146.5° | 94.8° |
| N04 | C03 | N16 | H20 | 179.4° | 179.8° |
| C05 | C15 | N16 | C03 | 0.4° | 0.0° |
| C05 | C15 | N16 | H2 | 180.0° | 179.7° |
| C05 | C15 | N16 | H20 | 179.6° | 179.8° |
| C18 | C17 | C28 | C25 | 0.6° | 0.3° |
| C18 | C17 | C28 | C02 | 179.5° | 179.7° |
| C18 | C17 | C02 | C03 | 29.5° | 5.4° |
| C18 | C17 | C02 | O01 | 150.1° | 174.7° |
| C18 | C17 | C28 | H9 | 179.4° | 179.7° |
| O26 | C25 | C28 | C17 | 179.9° | 180.0° |
| O26 | C25 | C28 | H9 | 0.1° | 0.1° |
| C25 | O26 | C27 | H15 | 180.0° | 60.0° |
| C25 | O26 | C27 | H16 | 60.0° | 60.0° |
| C25 | O26 | C27 | H17 | 60.0° | 180.0° |
| C28 | C25 | O26 | C27 | 32.8° | 0.5° |
| C25 | C28 | C17 | H9 | 180.0° | 179.9° |
| C25 | C28 | C17 | C02 | 179.9° | 180.0° |
| O26 | C27 | H15 | H16 | 120.0° | 120.0° |
| O26 | C27 | H15 | H17 | 120.0° | 120.1° |
| O26 | C27 | H16 | H17 | 120.0° | 120.0° |
| C28 | C17 | C02 | C03 | 150.0° | 174.4° |
| C28 | C17 | C02 | O01 | 30.3° | 5.6° |
| C28 | C17 | C18 | H14 | 179.7° | 179.9° |
| C17 | C02 | C03 | O01 | 179.6° | 180.0° |
| C17 | C02 | C03 | N16 | 144.8° | 94.9° |
| C02 | C17 | C28 | H9 | 0.2° | 0.0° |
| C02 | C17 | C18 | H14 | 0.2° | 0.4° |
| C02 | C03 | N16 | C15 | 179.5° | 180.0° |
| C02 | C03 | N16 | H20 | 0.5° | 0.2° |
| C03 | N16 | C15 | H20 | 180.0° | 179.8° |
| N16 | C03 | C02 | O01 | 34.8° | 85.1° |
| C03 | N16 | C15 | H2 | 179.6° | 179.8° |
| H1 | C13 | C12 | H12 | 0.1° | 0.3° |
| H1 | C13 | C14 | H13 | 0.1° | 0.1° |
| H2 | C15 | N16 | H20 | 0.4° | 0.0° |
| H3 | C21 | H4 | H5 | 120.0° | 120.0° |
| H6 | C24 | H7 | H8 | 120.0° | 120.0° |
| H10 | C08 | C09 | H11 | 0.0° | 0.1° |
| H11 | C09 | N10 | H19 | 0.2° | 0.1° |
| H15 | C27 | H16 | H17 | 120.0° | 120.0° |
