A1BMT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.51Å | 1.49Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | N1 | sing | 1.40Å | 1.44Å | |
| N1 | C11 | sing | 1.35Å | 1.40Å | |
| C11 | O1 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C2 | N1 | sing | 1.47Å | 1.51Å | |
| C5 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 108.4° | 109.8° |
| C1 | C2 | N1 | 110.9° | 109.8° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C1 | C2 | H4 | 108.7° | 109.8° |
| C2 | C3 | C4 | 109.3° | 108.8° |
| C3 | C2 | N1 | 111.4° | 107.8° |
| C3 | C2 | H4 | 108.5° | 109.9° |
| C2 | C3 | H6 | 109.5° | 109.6° |
| C2 | C3 | H5 | 109.5° | 109.6° |
| C3 | C4 | C5 | 106.4° | 110.6° |
| C3 | C4 | H8 | 110.2° | 109.1° |
| C3 | C4 | H7 | 110.2° | 109.3° |
| C4 | C3 | H6 | 109.5° | 109.6° |
| C4 | C3 | H5 | 109.5° | 109.6° |
| C4 | C5 | C6 | 122.5° | 118.9° |
| C4 | C5 | C10 | 116.8° | 121.4° |
| C5 | C4 | H8 | 110.3° | 109.3° |
| C5 | C4 | H7 | 110.2° | 109.3° |
| C5 | C6 | C7 | 121.0° | 120.3° |
| C6 | C5 | C10 | 119.3° | 119.6° |
| C5 | C6 | H9 | 119.5° | 119.8° |
| C6 | C7 | C8 | 119.4° | 120.1° |
| C7 | C6 | H9 | 119.5° | 119.9° |
| C6 | C7 | H10 | 120.3° | 119.9° |
| C7 | C8 | C9 | 120.7° | 119.9° |
| C8 | C7 | H10 | 120.3° | 120.0° |
| C7 | C8 | H11 | 119.6° | 120.1° |
| C8 | C9 | C10 | 120.3° | 120.0° |
| C9 | C8 | H11 | 119.7° | 120.0° |
| C8 | C9 | H12 | 119.9° | 120.0° |
| C9 | C10 | N1 | 122.7° | 119.1° |
| C9 | C10 | C5 | 119.0° | 120.0° |
| C10 | C9 | H12 | 119.9° | 120.0° |
| C10 | N1 | C11 | 121.3° | 120.6° |
| C10 | N1 | C2 | 116.7° | 118.9° |
| N1 | C10 | C5 | 118.1° | 120.8° |
| N1 | C11 | O1 | 120.2° | 120.0° |
| N1 | C11 | C12 | 120.7° | 120.0° |
| C11 | N1 | C2 | 122.1° | 120.6° |
| O1 | C11 | C12 | 119.1° | 120.0° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C12 | H13 | 109.5° | 109.4° |
| N1 | C2 | H4 | 108.8° | 109.8° |
| H8 | C4 | H7 | 109.4° | 109.3° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.4° | 109.5° |
| H15 | C12 | H14 | 109.5° | 109.4° |
| H15 | C12 | H13 | 109.5° | 109.5° |
| H14 | C12 | H13 | 109.4° | 109.5° |
| H6 | C3 | H5 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N1 | 122.3° | 119.5° |
| C1 | C2 | C3 | H4 | 117.9° | 120.9° |
| C1 | C2 | C3 | C4 | 80.3° | 177.2° |
| C1 | C2 | N1 | C10 | 131.7° | 164.4° |
| C1 | C2 | N1 | C11 | 47.8° | 15.9° |
| C1 | C2 | N1 | H4 | 119.5° | 120.8° |
| C2 | C1 | H3 | H2 | 120.0° | 119.9° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 119.9° |
| C1 | C2 | C3 | H6 | 39.6° | 57.4° |
| C1 | C2 | C3 | H5 | 159.7° | 63.0° |
| C2 | C3 | C4 | H6 | 120.0° | 119.8° |
| C2 | C3 | C4 | H5 | 120.0° | 119.8° |
| C2 | C3 | C4 | C5 | 68.1° | 51.3° |
| C3 | C2 | N1 | C10 | 10.8° | 44.9° |
| C3 | C2 | N1 | C11 | 168.6° | 135.4° |
| C3 | C2 | N1 | H4 | 119.6° | 119.7° |
| C2 | C3 | C4 | H8 | 51.4° | 68.9° |
| C2 | C3 | C4 | H7 | 172.4° | 171.6° |
| C3 | C2 | C1 | H3 | 180.0° | 69.9° |
| C3 | C2 | C1 | H2 | 60.0° | 170.1° |
| C3 | C2 | C1 | H1 | 60.0° | 50.1° |
| C2 | C3 | H6 | H5 | 120.1° | 120.3° |
| C3 | C4 | C5 | H8 | 119.5° | 120.1° |
| C3 | C4 | C5 | H7 | 119.5° | 120.4° |
| C3 | C4 | C5 | C6 | 125.7° | 159.6° |
| C4 | C3 | C2 | N1 | 42.0° | 63.3° |
| C3 | C4 | C5 | C10 | 41.2° | 20.5° |
| C3 | C4 | H8 | H7 | 121.4° | 119.5° |
| C4 | C3 | C2 | H4 | 161.8° | 56.3° |
| C4 | C3 | H6 | H5 | 120.1° | 120.3° |
| C4 | C5 | C6 | C10 | 166.6° | 180.0° |
| C4 | C5 | C6 | C7 | 171.4° | 179.9° |
| C4 | C5 | C10 | C9 | 173.6° | 179.8° |
| C4 | C5 | C10 | N1 | 11.8° | 0.4° |
| C5 | C4 | H8 | H7 | 121.4° | 119.5° |
| C4 | C5 | C6 | H9 | 8.6° | 0.1° |
| C5 | C4 | C3 | H6 | 171.9° | 171.1° |
| C5 | C4 | C3 | H5 | 51.9° | 68.5° |
| C5 | C6 | C7 | H9 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.2° | 0.1° |
| C6 | C5 | C10 | C9 | 6.3° | 0.2° |
| C6 | C5 | C10 | N1 | 179.2° | 179.6° |
| C6 | C5 | C4 | H8 | 114.8° | 80.3° |
| C6 | C5 | C4 | H7 | 6.2° | 39.2° |
| C5 | C6 | C7 | H10 | 179.8° | 180.0° |
| C6 | C7 | C8 | H10 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 2.8° | 0.1° |
| C7 | C6 | C5 | C10 | 4.7° | 0.1° |
| C6 | C7 | C8 | H11 | 177.2° | 179.9° |
| C7 | C8 | C9 | H11 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 1.1° | 0.1° |
| C8 | C7 | C6 | H9 | 179.8° | 179.9° |
| C7 | C8 | C9 | H12 | 178.8° | 179.9° |
| C8 | C9 | C10 | H12 | 180.0° | 180.0° |
| C8 | C9 | C10 | N1 | 177.7° | 179.7° |
| C8 | C9 | C10 | C5 | 3.4° | 0.1° |
| C9 | C8 | C7 | H10 | 177.3° | 179.9° |
| C9 | C10 | N1 | C5 | 174.4° | 179.8° |
| C9 | C10 | N1 | C11 | 34.8° | 13.2° |
| C9 | C10 | N1 | C2 | 145.7° | 166.5° |
| C10 | C9 | C8 | H11 | 178.8° | 180.0° |
| C10 | N1 | C11 | C2 | 179.4° | 179.7° |
| C10 | N1 | C11 | O1 | 20.5° | 160.0° |
| C10 | N1 | C11 | C12 | 157.3° | 19.9° |
| C10 | N1 | C2 | H4 | 108.8° | 74.8° |
| N1 | C10 | C9 | H12 | 2.3° | 0.3° |
| N1 | C11 | O1 | C12 | 177.8° | 180.0° |
| C11 | N1 | C10 | C5 | 139.5° | 166.7° |
| N1 | C11 | C12 | H15 | 177.8° | 7.0° |
| N1 | C11 | C12 | H14 | 57.7° | 113.0° |
| N1 | C11 | C12 | H13 | 62.2° | 127.0° |
| C11 | N1 | C2 | H4 | 71.8° | 104.9° |
| O1 | C11 | N1 | C2 | 158.9° | 19.7° |
| O1 | C11 | C12 | H15 | 0.0° | 173.1° |
| O1 | C11 | C12 | H14 | 120.0° | 67.0° |
| O1 | C11 | C12 | H13 | 120.0° | 53.0° |
| C12 | C11 | N1 | C2 | 23.3° | 160.4° |
| C11 | C12 | H15 | H14 | 120.0° | 120.0° |
| C11 | C12 | H15 | H13 | 120.0° | 120.0° |
| C11 | C12 | H14 | H13 | 120.0° | 120.0° |
| C2 | N1 | C10 | C5 | 39.9° | 13.7° |
| N1 | C2 | C1 | H3 | 57.4° | 48.4° |
| N1 | C2 | C1 | H2 | 177.4° | 71.6° |
| N1 | C2 | C1 | H1 | 62.7° | 168.4° |
| N1 | C2 | C3 | H6 | 162.0° | 176.9° |
| N1 | C2 | C3 | H5 | 78.0° | 56.5° |
| C10 | C5 | C4 | H8 | 78.3° | 99.6° |
| C10 | C5 | C4 | H7 | 160.8° | 140.9° |
| C10 | C5 | C6 | H9 | 175.3° | 180.0° |
| C5 | C10 | C9 | H12 | 176.6° | 179.9° |
| H8 | C4 | C3 | H6 | 68.5° | 50.9° |
| H8 | C4 | C3 | H5 | 171.4° | 171.3° |
| H7 | C4 | C3 | H6 | 52.4° | 68.6° |
| H7 | C4 | C3 | H5 | 67.6° | 51.8° |
| H9 | C6 | C7 | H10 | 0.2° | 0.1° |
| H10 | C7 | C8 | H11 | 2.8° | 0.0° |
| H11 | C8 | C9 | H12 | 1.2° | 0.0° |
| H3 | C1 | H2 | H1 | 120.0° | 120.1° |
| H3 | C1 | C2 | H4 | 62.2° | 169.2° |
| H2 | C1 | C2 | H4 | 57.8° | 49.2° |
| H1 | C1 | C2 | H4 | 177.8° | 70.8° |
| H15 | C12 | H14 | H13 | 120.0° | 120.0° |
| H4 | C2 | C3 | H6 | 78.3° | 63.5° |
| H4 | C2 | C3 | H5 | 41.8° | 176.1° |
