6ME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | C8A | sing | 1.33Å | 1.36Å | Aromatic |
| NA2 | C2 | sing | 1.38Å | 1.35Å | |
| N3 | C2 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.37Å | Aromatic |
| NA4 | C4 | sing | 1.39Å | 1.37Å | |
| C4 | C4A | sing | 1.40Å | 1.40Å | Aromatic |
| C4A | C5 | sing | 1.50Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C13 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8A | C8 | sing | 1.50Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C4A | C8A | doub | 1.37Å | 1.39Å | Aromatic |
| NA2 | HNA2 | sing | 0.97Å | 1.00Å | |
| NA2 | HNAA | sing | 0.97Å | 1.00Å | |
| NA4 | HNA4 | sing | 0.97Å | 1.00Å | |
| NA4 | HNAB | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 121.8° | 121.2° |
| N1 | C2 | NA2 | 120.3° | 119.2° |
| N1 | C2 | N3 | 119.6° | 121.5° |
| N1 | C8A | C8 | 118.0° | 118.4° |
| N1 | C8A | C4A | 119.3° | 119.0° |
| NA2 | C2 | N3 | 120.1° | 119.2° |
| C2 | NA2 | HNA2 | 109.5° | 120.0° |
| C2 | NA2 | HNAA | 109.5° | 120.0° |
| C2 | N3 | C4 | 120.8° | 120.4° |
| N3 | C4 | NA4 | 119.0° | 120.3° |
| N3 | C4 | C4A | 119.8° | 119.3° |
| NA4 | C4 | C4A | 121.2° | 120.4° |
| C4 | NA4 | HNA4 | 109.5° | 120.0° |
| C4 | NA4 | HNAB | 109.5° | 120.0° |
| C4 | C4A | C5 | 121.1° | 118.6° |
| C4 | C4A | C8A | 118.4° | 118.6° |
| C4A | C5 | C6 | 113.3° | 110.5° |
| C4A | C5 | H5 | 108.2° | 109.3° |
| C4A | C5 | H5A | 108.2° | 109.3° |
| C5 | C4A | C8A | 120.5° | 122.8° |
| C6 | C5 | H5 | 108.2° | 109.3° |
| C6 | C5 | H5A | 108.2° | 109.3° |
| C5 | C6 | C7 | 112.3° | 108.4° |
| C5 | C6 | C13 | 110.2° | 109.7° |
| C5 | C6 | H6 | 106.9° | 109.7° |
| H5 | C5 | H5A | 110.7° | 109.1° |
| C7 | C6 | C13 | 109.0° | 109.7° |
| C7 | C6 | H6 | 108.1° | 109.8° |
| C6 | C7 | C8 | 116.5° | 108.5° |
| C6 | C7 | H7 | 107.2° | 109.6° |
| C6 | C7 | H7A | 107.2° | 109.6° |
| C13 | C6 | H6 | 110.3° | 109.6° |
| C6 | C13 | H13 | 109.5° | 109.4° |
| C6 | C13 | H13A | 109.5° | 109.5° |
| C6 | C13 | H13B | 109.5° | 109.5° |
| C8 | C7 | H7 | 107.2° | 109.7° |
| C8 | C7 | H7A | 107.2° | 109.8° |
| C7 | C8 | C8A | 116.0° | 110.5° |
| C7 | C8 | H8 | 107.4° | 109.3° |
| C7 | C8 | H8A | 107.4° | 109.3° |
| H7 | C7 | H7A | 111.7° | 109.6° |
| C8A | C8 | H8 | 107.4° | 109.3° |
| C8A | C8 | H8A | 107.3° | 109.1° |
| C8 | C8A | C4A | 122.7° | 122.6° |
| H8 | C8 | H8A | 111.5° | 109.3° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| HNA2 | NA2 | HNAA | 109.4° | 120.0° |
| HNA4 | NA4 | HNAB | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | NA2 | N3 | 178.2° | 180.0° |
| N1 | C2 | N3 | C4 | 3.1° | 0.1° |
| C2 | N1 | C8A | C8 | 175.0° | 179.4° |
| C2 | N1 | C8A | C4A | 3.4° | 0.3° |
| N1 | C2 | NA2 | HNA2 | 0.0° | 0.0° |
| N1 | C2 | NA2 | HNAA | 120.0° | 179.9° |
| C8A | N1 | C2 | NA2 | 177.0° | 179.9° |
| C8A | N1 | C2 | N3 | 4.8° | 0.1° |
| N1 | C8A | C4A | C4 | 0.3° | 0.4° |
| N1 | C8A | C4A | C5 | 178.1° | 179.5° |
| N1 | C8A | C8 | C7 | 176.7° | 162.5° |
| N1 | C8A | C8 | C4A | 178.3° | 179.7° |
| N1 | C8A | C8 | H8 | 56.7° | 77.2° |
| N1 | C8A | C8 | H8A | 63.3° | 42.2° |
| NA2 | C2 | N3 | C4 | 178.7° | 179.9° |
| C2 | NA2 | HNA2 | HNAA | 120.0° | 180.0° |
| C2 | N3 | C4 | NA4 | 179.1° | 179.9° |
| C2 | N3 | C4 | C4A | 0.1° | 0.1° |
| N3 | C2 | NA2 | HNA2 | 178.2° | 180.0° |
| N3 | C2 | NA2 | HNAA | 58.2° | 0.1° |
| N3 | C4 | NA4 | C4A | 179.1° | 180.0° |
| N3 | C4 | C4A | C5 | 179.7° | 179.7° |
| N3 | C4 | C4A | C8A | 1.3° | 0.1° |
| N3 | C4 | NA4 | HNA4 | 0.0° | 0.1° |
| N3 | C4 | NA4 | HNAB | 120.0° | 180.0° |
| NA4 | C4 | C4A | C5 | 1.2° | 0.3° |
| NA4 | C4 | C4A | C8A | 179.5° | 179.8° |
| C4 | NA4 | HNA4 | HNAB | 120.0° | 179.9° |
| C4 | C4A | C5 | C8A | 178.3° | 179.9° |
| C4 | C4A | C5 | C6 | 152.3° | 162.5° |
| C4 | C4A | C5 | H5 | 32.3° | 77.2° |
| C4 | C4A | C5 | H5A | 87.7° | 42.2° |
| C4 | C4A | C8A | C8 | 178.1° | 179.4° |
| C4A | C4 | NA4 | HNA4 | 179.1° | 179.9° |
| C4A | C4 | NA4 | HNAB | 60.9° | 0.0° |
| C4A | C5 | C6 | H5 | 120.0° | 120.4° |
| C4A | C5 | C6 | H5A | 120.0° | 120.3° |
| C4A | C5 | H5 | H5A | 118.4° | 119.5° |
| C4A | C5 | C6 | C7 | 49.0° | 50.8° |
| C4A | C5 | C6 | C13 | 170.7° | 170.5° |
| C4A | C5 | C6 | H6 | 69.4° | 69.0° |
| C5 | C4A | C8A | C8 | 3.6° | 0.8° |
| C6 | C5 | H5 | H5A | 118.4° | 119.5° |
| C5 | C6 | C7 | C13 | 122.4° | 119.7° |
| C5 | C6 | C7 | H6 | 117.7° | 119.8° |
| C5 | C6 | C13 | H6 | 117.8° | 120.4° |
| C5 | C6 | C7 | C8 | 45.0° | 69.6° |
| C5 | C6 | C7 | H7 | 165.0° | 170.6° |
| C5 | C6 | C7 | H7A | 74.9° | 50.3° |
| C5 | C6 | C13 | H13 | 180.0° | 60.0° |
| C5 | C6 | C13 | H13A | 60.0° | 180.0° |
| C5 | C6 | C13 | H13B | 60.0° | 60.0° |
| C6 | C5 | C4A | C8A | 29.4° | 17.7° |
| H5 | C5 | C6 | C7 | 169.0° | 69.5° |
| H5 | C5 | C6 | C13 | 69.3° | 50.2° |
| H5 | C5 | C6 | H6 | 50.6° | 170.6° |
| H5 | C5 | C4A | C8A | 149.4° | 102.7° |
| H5A | C5 | C6 | C7 | 71.0° | 171.1° |
| H5A | C5 | C6 | C13 | 50.7° | 69.2° |
| H5A | C5 | C6 | H6 | 170.6° | 51.2° |
| H5A | C5 | C4A | C8A | 90.6° | 138.0° |
| C7 | C6 | C13 | H6 | 118.6° | 120.6° |
| C6 | C7 | C8 | H7 | 120.0° | 119.7° |
| C6 | C7 | C8 | H7A | 120.0° | 119.7° |
| C6 | C7 | H7 | H7A | 117.1° | 120.3° |
| C6 | C7 | C8 | C8A | 19.8° | 51.0° |
| C6 | C7 | C8 | H8 | 100.3° | 69.3° |
| C6 | C7 | C8 | H8A | 139.7° | 171.1° |
| C7 | C6 | C13 | H13 | 56.4° | 58.9° |
| C7 | C6 | C13 | H13A | 176.4° | 61.0° |
| C7 | C6 | C13 | H13B | 63.6° | 179.0° |
| C13 | C6 | C7 | C8 | 167.4° | 170.7° |
| C13 | C6 | C7 | H7 | 72.6° | 50.9° |
| C13 | C6 | C7 | H7A | 47.4° | 69.5° |
| C6 | C13 | H13 | H13A | 120.0° | 120.0° |
| C6 | C13 | H13 | H13B | 120.0° | 120.0° |
| C6 | C13 | H13A | H13B | 120.0° | 120.0° |
| H6 | C6 | C7 | C8 | 72.7° | 50.2° |
| H6 | C6 | C7 | H7 | 47.3° | 69.6° |
| H6 | C6 | C7 | H7A | 167.4° | 170.0° |
| H6 | C6 | C13 | H13 | 62.2° | 179.5° |
| H6 | C6 | C13 | H13A | 57.8° | 59.6° |
| H6 | C6 | C13 | H13B | 177.8° | 60.4° |
| C8 | C7 | H7 | H7A | 117.1° | 120.6° |
| C7 | C8 | C8A | H8 | 120.0° | 120.3° |
| C7 | C8 | C8A | H8A | 120.0° | 120.3° |
| C7 | C8 | H8 | H8A | 117.3° | 119.6° |
| C7 | C8 | C8A | C4A | 1.6° | 17.8° |
| H7 | C7 | C8 | C8A | 139.8° | 170.7° |
| H7 | C7 | C8 | H8 | 19.8° | 50.4° |
| H7 | C7 | C8 | H8A | 100.3° | 69.2° |
| H7A | C7 | C8 | C8A | 100.2° | 68.8° |
| H7A | C7 | C8 | H8 | 139.8° | 170.9° |
| H7A | C7 | C8 | H8A | 19.7° | 51.4° |
| C8A | C8 | H8 | H8A | 117.3° | 119.3° |
| H8 | C8 | C8A | C4A | 121.7° | 102.5° |
| H8A | C8 | C8A | C4A | 118.3° | 138.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
