MGB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | sing | 1.38Å | 1.35Å | |
| N1 | H11 | sing | 0.97Å | 1.02Å | |
| N1 | H12 | sing | 0.97Å | 1.02Å | |
| N2 | C3 | doub | 1.30Å | 1.35Å | |
| N2 | H21 | sing | 0.97Å | 1.02Å | |
| C3 | N4 | sing | 1.38Å | 1.37Å | |
| N4 | N5 | sing | 1.40Å | 1.52Å | |
| N4 | H41 | sing | 0.97Å | 1.02Å | |
| N5 | C6 | doub | 1.30Å | 1.41Å | |
| C6 | C7 | sing | 1.46Å | 1.21Å | |
| C6 | H61 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.38Å | |
| C7 | N9 | doub | 1.30Å | 1.42Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C8 | H83 | sing | 1.09Å | 1.12Å | |
| N9 | N10 | sing | 1.40Å | 1.51Å | |
| N10 | C11 | sing | 1.38Å | 1.36Å | |
| N10 | H101 | sing | 0.97Å | 1.02Å | |
| C11 | N12 | doub | 1.30Å | 1.35Å | |
| C11 | N13 | sing | 1.38Å | 1.34Å | |
| N12 | H121 | sing | 0.97Å | 1.02Å | |
| N13 | H131 | sing | 0.97Å | 1.02Å | |
| N13 | H132 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | H11 | 121.1° | 120.0° |
| C3 | N1 | H12 | 108.1° | 120.0° |
| N1 | C3 | N2 | 121.0° | 120.0° |
| N1 | C3 | N4 | 121.0° | 120.0° |
| H11 | N1 | H12 | 108.1° | 120.0° |
| C3 | N2 | H21 | 112.1° | 120.0° |
| N2 | C3 | N4 | 117.9° | 120.0° |
| C3 | N4 | N5 | 107.8° | 120.0° |
| C3 | N4 | H41 | 112.8° | 120.0° |
| N5 | N4 | H41 | 112.9° | 120.0° |
| N4 | N5 | C6 | 120.5° | 120.0° |
| N5 | C6 | C7 | 122.6° | 119.9° |
| N5 | C6 | H61 | 126.7° | 120.0° |
| C7 | C6 | H61 | 110.8° | 120.0° |
| C6 | C7 | C8 | 115.0° | 120.0° |
| C6 | C7 | N9 | 112.5° | 120.0° |
| C8 | C7 | N9 | 113.5° | 120.0° |
| C7 | C8 | H81 | 115.0° | 109.4° |
| C7 | C8 | H82 | 110.2° | 109.4° |
| C7 | C8 | H83 | 110.2° | 109.5° |
| C7 | N9 | N10 | 121.9° | 120.0° |
| H81 | C8 | H82 | 110.3° | 109.5° |
| H81 | C8 | H83 | 110.2° | 109.5° |
| H82 | C8 | H83 | 100.0° | 109.5° |
| N9 | N10 | C11 | 108.6° | 119.9° |
| N9 | N10 | H101 | 112.5° | 120.0° |
| C11 | N10 | H101 | 112.5° | 120.1° |
| N10 | C11 | N12 | 118.1° | 120.0° |
| N10 | C11 | N13 | 120.8° | 119.9° |
| N12 | C11 | N13 | 121.0° | 120.0° |
| C11 | N12 | H121 | 120.0° | 120.0° |
| C11 | N13 | H131 | 120.8° | 120.0° |
| C11 | N13 | H132 | 108.2° | 120.1° |
| H131 | N13 | H132 | 108.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | H11 | H12 | 125.3° | 179.9° |
| N1 | C3 | N2 | N4 | 179.6° | 180.0° |
| N1 | C3 | N2 | H21 | 2.8° | 0.0° |
| N1 | C3 | N4 | N5 | 20.0° | 180.0° |
| N1 | C3 | N4 | H41 | 105.3° | 0.1° |
| H11 | N1 | C3 | N2 | 180.0° | 0.0° |
| H11 | N1 | C3 | N4 | 0.4° | 180.0° |
| H12 | N1 | C3 | N2 | 54.7° | 179.9° |
| H12 | N1 | C3 | N4 | 125.7° | 0.1° |
| N2 | C3 | N4 | N5 | 160.4° | 0.0° |
| N2 | C3 | N4 | H41 | 74.3° | 179.9° |
| H21 | N2 | C3 | N4 | 177.6° | 180.0° |
| C3 | N4 | N5 | H41 | 125.3° | 180.0° |
| C3 | N4 | N5 | C6 | 175.9° | 180.0° |
| N4 | N5 | C6 | C7 | 179.8° | 180.0° |
| N4 | N5 | C6 | H61 | 0.2° | 0.0° |
| H41 | N4 | N5 | C6 | 50.7° | 0.0° |
| N5 | C6 | C7 | H61 | 180.0° | 179.9° |
| N5 | C6 | C7 | C8 | 64.8° | 4.9° |
| N5 | C6 | C7 | N9 | 163.0° | 175.0° |
| C6 | C7 | C8 | N9 | 131.6° | 179.9° |
| C6 | C7 | C8 | H81 | 180.0° | 180.0° |
| C6 | C7 | C8 | H82 | 54.7° | 60.0° |
| C6 | C7 | C8 | H83 | 54.7° | 60.0° |
| C6 | C7 | N9 | N10 | 153.0° | 5.5° |
| H61 | C6 | C7 | C8 | 115.2° | 175.0° |
| H61 | C6 | C7 | N9 | 17.0° | 5.0° |
| C7 | C8 | H81 | H82 | 125.3° | 119.9° |
| C7 | C8 | H81 | H83 | 125.3° | 120.0° |
| C7 | C8 | H82 | H83 | 116.0° | 120.0° |
| C8 | C7 | N9 | N10 | 74.1° | 174.6° |
| N9 | C7 | C8 | H81 | 48.4° | 0.0° |
| N9 | C7 | C8 | H82 | 76.9° | 120.0° |
| N9 | C7 | C8 | H83 | 173.7° | 119.9° |
| C7 | N9 | N10 | C11 | 176.6° | 174.7° |
| C7 | N9 | N10 | H101 | 51.3° | 5.3° |
| H81 | C8 | H82 | H83 | 116.0° | 120.0° |
| N9 | N10 | C11 | H101 | 125.2° | 180.0° |
| N9 | N10 | C11 | N12 | 121.0° | 0.0° |
| N9 | N10 | C11 | N13 | 58.7° | 180.0° |
| N10 | C11 | N12 | N13 | 179.8° | 179.9° |
| N10 | C11 | N12 | H121 | 165.0° | 179.9° |
| N10 | C11 | N13 | H131 | 180.0° | 180.0° |
| N10 | C11 | N13 | H132 | 54.7° | 0.1° |
| H101 | N10 | C11 | N12 | 113.8° | 180.0° |
| H101 | N10 | C11 | N13 | 66.5° | 0.1° |
| N12 | C11 | N13 | H131 | 0.2° | 0.0° |
| N12 | C11 | N13 | H132 | 125.1° | 180.0° |
| N13 | C11 | N12 | H121 | 15.2° | 0.0° |
| C11 | N13 | H131 | H132 | 125.3° | 180.0° |
