BM0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N | sing | 1.35Å | 1.42Å | Aromatic |
| C6 | N1 | doub | 1.30Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | N | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| N | C4 | sing | 1.37Å | 1.44Å | Aromatic |
| C7 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C5 | sing | 1.34Å | 1.42Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C4 | C5 | doub | 1.35Å | 1.39Å | Aromatic |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C6 | N1 | 109.5° | 108.7° |
| C6 | N | C3 | 131.3° | 126.4° |
| C6 | N | C4 | 106.2° | 107.2° |
| N | C6 | H11 | 125.3° | 125.7° |
| C6 | N1 | C7 | 129.4° | 125.3° |
| C6 | N1 | C5 | 107.0° | 109.3° |
| N1 | C6 | H11 | 125.2° | 125.6° |
| C2 | C3 | N | 106.4° | 109.4° |
| C3 | C2 | C1 | 111.8° | 109.4° |
| C3 | C2 | H5 | 108.9° | 109.5° |
| C3 | C2 | H6 | 108.9° | 109.5° |
| C2 | C3 | H8 | 110.3° | 109.5° |
| C2 | C3 | H7 | 110.3° | 109.5° |
| C3 | N | C4 | 122.5° | 126.4° |
| N | C3 | H8 | 110.2° | 109.4° |
| N | C3 | H7 | 110.2° | 109.4° |
| C2 | C1 | C | 107.8° | 109.5° |
| C2 | C1 | H4 | 109.9° | 109.4° |
| C2 | C1 | H3 | 109.9° | 109.5° |
| C1 | C2 | H5 | 108.9° | 109.5° |
| C1 | C2 | H6 | 108.9° | 109.4° |
| N | C4 | C5 | 108.2° | 106.8° |
| N | C4 | H9 | 125.9° | 126.6° |
| C7 | N1 | C5 | 123.6° | 125.4° |
| N1 | C7 | H13 | 109.5° | 109.4° |
| N1 | C7 | H14 | 109.4° | 109.4° |
| N1 | C7 | H12 | 109.5° | 109.5° |
| N1 | C5 | C4 | 109.1° | 108.0° |
| N1 | C5 | H10 | 125.4° | 126.0° |
| C | C1 | H4 | 109.9° | 109.5° |
| C | C1 | H3 | 109.9° | 109.5° |
| C1 | C | H | 109.5° | 109.4° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H1 | 109.5° | 109.5° |
| C5 | C4 | H9 | 125.9° | 126.6° |
| C4 | C5 | H10 | 125.4° | 126.0° |
| H4 | C1 | H3 | 109.5° | 109.4° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H8 | C3 | H7 | 109.4° | 109.6° |
| H13 | C7 | H14 | 109.5° | 109.5° |
| H13 | C7 | H12 | 109.4° | 109.5° |
| H14 | C7 | H12 | 109.5° | 109.5° |
| H | C | H2 | 109.5° | 109.5° |
| H | C | H1 | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C6 | N1 | H11 | 180.0° | 180.0° |
| C6 | N | C3 | C2 | 134.7° | 90.0° |
| C6 | N | C3 | C4 | 178.8° | 179.5° |
| N | C6 | N1 | C7 | 179.6° | 180.0° |
| N | C6 | N1 | C5 | 0.1° | 0.2° |
| C6 | N | C4 | C5 | 0.4° | 0.4° |
| C6 | N | C3 | H8 | 105.7° | 29.9° |
| C6 | N | C3 | H7 | 15.2° | 150.0° |
| C6 | N | C4 | H9 | 179.6° | 179.9° |
| N1 | C6 | N | C3 | 179.3° | 180.0° |
| N1 | C6 | N | C4 | 0.3° | 0.4° |
| C6 | N1 | C7 | C5 | 179.7° | 179.8° |
| C6 | N1 | C5 | C4 | 0.2° | 0.0° |
| C6 | N1 | C5 | H10 | 179.9° | 180.0° |
| C6 | N1 | C7 | H13 | 180.0° | 90.0° |
| C6 | N1 | C7 | H14 | 60.0° | 150.0° |
| C6 | N1 | C7 | H12 | 60.0° | 30.0° |
| C2 | C3 | N | H8 | 119.5° | 120.0° |
| C2 | C3 | N | H7 | 119.6° | 120.0° |
| C3 | C2 | C1 | H5 | 120.4° | 120.0° |
| C3 | C2 | C1 | H6 | 120.3° | 119.9° |
| C2 | C3 | N | C4 | 44.1° | 90.4° |
| C3 | C2 | C1 | C | 172.0° | 180.0° |
| C3 | C2 | C1 | H4 | 68.3° | 60.0° |
| C3 | C2 | C1 | H3 | 52.2° | 60.0° |
| C3 | C2 | H5 | H6 | 118.9° | 120.0° |
| C2 | C3 | H8 | H7 | 121.5° | 120.1° |
| N | C3 | C2 | C1 | 127.4° | 180.0° |
| C3 | N | C4 | C5 | 179.5° | 180.0° |
| N | C3 | C2 | H5 | 7.0° | 60.0° |
| N | C3 | C2 | H6 | 112.3° | 60.0° |
| N | C3 | H8 | H7 | 121.4° | 120.0° |
| C3 | N | C4 | H9 | 0.5° | 0.3° |
| C3 | N | C6 | H11 | 0.7° | 0.1° |
| C2 | C1 | C | H4 | 119.7° | 120.0° |
| C2 | C1 | C | H3 | 119.8° | 120.1° |
| C2 | C1 | H4 | H3 | 120.8° | 120.0° |
| C1 | C2 | H5 | H6 | 118.9° | 120.0° |
| C1 | C2 | C3 | H8 | 7.9° | 60.0° |
| C1 | C2 | C3 | H7 | 113.1° | 60.1° |
| C2 | C1 | C | H | 180.0° | 60.0° |
| C2 | C1 | C | H2 | 60.0° | 60.0° |
| C2 | C1 | C | H1 | 60.0° | 180.0° |
| N | C4 | C5 | N1 | 0.4° | 0.2° |
| N | C4 | C5 | H9 | 180.0° | 179.7° |
| C4 | N | C3 | H8 | 75.5° | 149.6° |
| C4 | N | C3 | H7 | 163.6° | 29.5° |
| N | C4 | C5 | H10 | 179.6° | 179.8° |
| C4 | N | C6 | H11 | 179.7° | 179.7° |
| C7 | N1 | C5 | C4 | 179.9° | 179.8° |
| C7 | N1 | C5 | H10 | 0.1° | 0.2° |
| C7 | N1 | C6 | H11 | 0.4° | 0.0° |
| N1 | C7 | H13 | H14 | 120.0° | 119.9° |
| N1 | C7 | H13 | H12 | 120.0° | 120.1° |
| N1 | C7 | H14 | H12 | 120.0° | 120.1° |
| N1 | C5 | C4 | H10 | 180.0° | 180.0° |
| N1 | C5 | C4 | H9 | 179.6° | 180.0° |
| C5 | N1 | C6 | H11 | 179.9° | 179.8° |
| C5 | N1 | C7 | H13 | 0.4° | 89.7° |
| C5 | N1 | C7 | H14 | 119.7° | 30.2° |
| C5 | N1 | C7 | H12 | 120.3° | 150.3° |
| C | C1 | H4 | H3 | 120.8° | 120.0° |
| C | C1 | C2 | H5 | 51.6° | 60.0° |
| C | C1 | C2 | H6 | 67.7° | 60.1° |
| C1 | C | H | H2 | 120.0° | 120.0° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| C1 | C | H2 | H1 | 120.0° | 120.0° |
| H4 | C1 | C2 | H5 | 171.4° | 60.0° |
| H4 | C1 | C2 | H6 | 52.1° | 179.9° |
| H4 | C1 | C | H | 60.3° | 180.0° |
| H4 | C1 | C | H2 | 179.8° | 60.0° |
| H4 | C1 | C | H1 | 59.7° | 60.0° |
| H3 | C1 | C2 | H5 | 68.1° | 180.0° |
| H3 | C1 | C2 | H6 | 172.6° | 60.0° |
| H3 | C1 | C | H | 60.2° | 60.0° |
| H3 | C1 | C | H2 | 59.7° | 179.9° |
| H3 | C1 | C | H1 | 179.7° | 60.0° |
| H5 | C2 | C3 | H8 | 112.5° | 180.0° |
| H5 | C2 | C3 | H7 | 126.6° | 59.9° |
| H6 | C2 | C3 | H8 | 128.2° | 59.9° |
| H6 | C2 | C3 | H7 | 7.2° | 180.0° |
| H9 | C4 | C5 | H10 | 0.4° | 0.1° |
| H13 | C7 | H14 | H12 | 120.0° | 120.0° |
| H | C | H2 | H1 | 120.0° | 120.1° |
