7ME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | C8A | sing | 1.33Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| C2 | NA2 | sing | 1.38Å | 1.36Å | |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | C4A | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | NA4 | sing | 1.39Å | 1.36Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4A | sing | 1.50Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C13 | sing | 1.53Å | 1.53Å | |
| C8 | C8A | sing | 1.50Å | 1.52Å | |
| C4A | C8A | doub | 1.37Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| 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 | |
| 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 | 121.1° | 121.2° |
| N1 | C2 | N3 | 120.5° | 121.6° |
| N1 | C2 | NA2 | 119.4° | 119.2° |
| N1 | C8A | C8 | 117.8° | 118.3° |
| N1 | C8A | C4A | 119.4° | 119.0° |
| N3 | C2 | NA2 | 120.1° | 119.2° |
| C2 | N3 | C4 | 120.4° | 120.4° |
| C2 | NA2 | HNA2 | 109.5° | 120.0° |
| C2 | NA2 | HNAA | 109.4° | 120.0° |
| N3 | C4 | C4A | 119.9° | 119.2° |
| N3 | C4 | NA4 | 118.3° | 120.4° |
| C4A | C4 | NA4 | 121.7° | 120.4° |
| C4 | C4A | C5 | 120.4° | 118.6° |
| C4 | C4A | C8A | 118.6° | 118.6° |
| C4 | NA4 | HNA4 | 109.5° | 120.0° |
| C4 | NA4 | HNAB | 109.5° | 120.0° |
| C6 | C5 | C4A | 110.7° | 110.5° |
| C5 | C6 | C7 | 110.7° | 108.4° |
| C6 | C5 | H5 | 109.1° | 109.3° |
| C6 | C5 | H5A | 109.1° | 109.3° |
| C5 | C6 | H6 | 109.0° | 109.7° |
| C5 | C6 | H6A | 109.1° | 109.6° |
| C5 | C4A | C8A | 120.9° | 122.8° |
| C4A | C5 | H5 | 109.1° | 109.3° |
| C4A | C5 | H5A | 109.1° | 109.2° |
| C6 | C7 | C8 | 111.7° | 108.5° |
| C6 | C7 | C13 | 112.0° | 109.6° |
| C7 | C6 | H6 | 109.1° | 109.7° |
| C7 | C6 | H6A | 109.1° | 109.7° |
| C6 | C7 | H7 | 106.8° | 109.6° |
| C8 | C7 | C13 | 111.3° | 109.6° |
| C7 | C8 | C8A | 114.0° | 110.5° |
| C8 | C7 | H7 | 107.5° | 109.7° |
| C7 | C8 | H8 | 108.0° | 109.3° |
| C7 | C8 | H8A | 108.0° | 109.3° |
| C13 | C7 | H7 | 107.2° | 109.8° |
| C7 | C13 | H13 | 109.5° | 109.5° |
| C7 | C13 | H13A | 109.5° | 109.5° |
| C7 | C13 | H13B | 109.4° | 109.5° |
| C8 | C8A | C4A | 122.8° | 122.6° |
| C8A | C8 | H8 | 108.0° | 109.3° |
| C8A | C8 | H8A | 108.0° | 109.3° |
| H5 | C5 | H5A | 109.9° | 109.1° |
| H6 | C6 | H6A | 109.9° | 109.8° |
| H8 | C8 | H8A | 110.9° | 109.2° |
| H13 | C13 | H13A | 109.5° | 109.4° |
| H13 | C13 | H13B | 109.4° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| HNA2 | NA2 | HNAA | 109.4° | 120.1° |
| HNA4 | NA4 | HNAB | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | NA2 | 179.8° | 180.0° |
| N1 | C2 | N3 | C4 | 1.2° | 0.2° |
| C2 | N1 | C8A | C8 | 178.9° | 179.7° |
| C2 | N1 | C8A | C4A | 0.0° | 0.1° |
| N1 | C2 | NA2 | HNA2 | 0.0° | 0.0° |
| N1 | C2 | NA2 | HNAA | 120.0° | 180.0° |
| C8A | N1 | C2 | N3 | 0.1° | 0.1° |
| C8A | N1 | C2 | NA2 | 179.7° | 179.9° |
| N1 | C8A | C4A | C4 | 1.3° | 0.2° |
| N1 | C8A | C4A | C5 | 179.7° | 179.6° |
| N1 | C8A | C8 | C7 | 174.9° | 162.5° |
| N1 | C8A | C8 | C4A | 178.9° | 179.7° |
| N1 | C8A | C8 | H8 | 65.1° | 77.2° |
| N1 | C8A | C8 | H8A | 54.9° | 42.3° |
| C2 | N3 | C4 | C4A | 2.5° | 0.0° |
| C2 | N3 | C4 | NA4 | 179.9° | 179.9° |
| N3 | C2 | NA2 | HNA2 | 179.8° | 179.9° |
| N3 | C2 | NA2 | HNAA | 60.3° | 0.0° |
| NA2 | C2 | N3 | C4 | 179.0° | 179.9° |
| C2 | NA2 | HNA2 | HNAA | 120.0° | 180.0° |
| N3 | C4 | C4A | NA4 | 177.5° | 179.9° |
| N3 | C4 | C4A | C5 | 179.0° | 179.7° |
| N3 | C4 | C4A | C8A | 2.5° | 0.2° |
| N3 | C4 | NA4 | HNA4 | 0.0° | 0.1° |
| N3 | C4 | NA4 | HNAB | 120.0° | 180.0° |
| C4 | C4A | C5 | C6 | 155.9° | 162.6° |
| C4 | C4A | C5 | C8A | 178.5° | 179.8° |
| C4 | C4A | C8A | C8 | 179.9° | 179.5° |
| C4 | C4A | C5 | H5 | 84.1° | 77.1° |
| C4 | C4A | C5 | H5A | 35.9° | 42.3° |
| C4A | C4 | NA4 | HNA4 | 177.5° | 180.0° |
| C4A | C4 | NA4 | HNAB | 62.5° | 0.0° |
| NA4 | C4 | C4A | C5 | 1.5° | 0.3° |
| NA4 | C4 | C4A | C8A | 180.0° | 179.9° |
| C4 | NA4 | HNA4 | HNAB | 120.0° | 179.9° |
| C6 | C5 | C4A | H5 | 120.0° | 120.4° |
| C6 | C5 | C4A | H5A | 120.0° | 120.3° |
| C5 | C6 | C7 | H6 | 120.0° | 119.7° |
| C5 | C6 | C7 | H6A | 120.0° | 119.7° |
| C5 | C6 | C7 | C8 | 61.0° | 69.7° |
| C5 | C6 | C7 | C13 | 173.4° | 170.6° |
| C6 | C5 | C4A | C8A | 25.6° | 17.6° |
| C6 | C5 | H5 | H5A | 119.5° | 119.5° |
| C5 | C6 | H6 | H6A | 119.5° | 120.5° |
| C5 | C6 | C7 | H7 | 56.3° | 50.0° |
| C4A | C5 | C6 | C7 | 54.8° | 50.8° |
| C5 | C4A | C8A | C8 | 1.4° | 0.7° |
| C4A | C5 | H5 | H5A | 119.5° | 119.4° |
| C4A | C5 | C6 | H6 | 65.1° | 68.9° |
| C4A | C5 | C6 | H6A | 174.8° | 170.5° |
| C6 | C7 | C8 | C13 | 125.9° | 119.7° |
| C6 | C7 | C8 | H7 | 116.9° | 119.7° |
| C6 | C7 | C13 | H7 | 116.9° | 120.5° |
| C6 | C7 | C8 | C8A | 35.5° | 51.0° |
| C7 | C6 | C5 | H5 | 65.1° | 69.5° |
| C7 | C6 | C5 | H5A | 174.8° | 171.1° |
| C7 | C6 | H6 | H6A | 119.5° | 120.5° |
| C6 | C7 | C8 | H8 | 84.5° | 69.3° |
| C6 | C7 | C8 | H8A | 155.5° | 171.3° |
| C6 | C7 | C13 | H13 | 180.0° | 60.0° |
| C6 | C7 | C13 | H13A | 60.0° | 180.0° |
| C6 | C7 | C13 | H13B | 60.0° | 60.0° |
| C8 | C7 | C13 | H7 | 117.4° | 120.5° |
| C7 | C8 | C8A | H8 | 120.0° | 120.3° |
| C7 | C8 | C8A | H8A | 120.0° | 120.3° |
| C7 | C8 | C8A | C4A | 6.2° | 17.7° |
| C8 | C7 | C6 | H6 | 58.9° | 50.0° |
| C8 | C7 | C6 | H6A | 179.0° | 170.6° |
| C7 | C8 | H8 | H8A | 118.1° | 119.5° |
| C8 | C7 | C13 | H13 | 54.2° | 179.0° |
| C8 | C7 | C13 | H13A | 65.8° | 61.1° |
| C8 | C7 | C13 | H13B | 174.2° | 59.0° |
| C13 | C7 | C8 | C8A | 161.4° | 170.7° |
| C13 | C7 | C6 | H6 | 66.6° | 69.7° |
| C13 | C7 | C6 | H6A | 53.4° | 51.0° |
| C13 | C7 | C8 | H8 | 41.4° | 50.4° |
| C13 | C7 | C8 | H8A | 78.6° | 69.1° |
| C7 | C13 | H13 | H13A | 120.0° | 120.0° |
| C7 | C13 | H13 | H13B | 120.0° | 120.0° |
| C7 | C13 | H13A | H13B | 120.0° | 120.0° |
| C8A | C8 | C7 | H7 | 81.4° | 68.7° |
| C8A | C8 | H8 | H8A | 118.1° | 119.5° |
| C8A | C4A | C5 | H5 | 94.4° | 102.8° |
| C8A | C4A | C5 | H5A | 145.6° | 137.9° |
| C4A | C8A | C8 | H8 | 113.8° | 102.5° |
| C4A | C8A | C8 | H8A | 126.2° | 138.0° |
| H5 | C5 | C6 | H6 | 174.9° | 170.8° |
| H5 | C5 | C6 | H6A | 54.9° | 50.2° |
| H5A | C5 | C6 | H6 | 54.8° | 51.4° |
| H5A | C5 | C6 | H6A | 65.2° | 69.2° |
| H6 | C6 | C7 | H7 | 176.3° | 169.7° |
| H6A | C6 | C7 | H7 | 63.7° | 69.7° |
| H7 | C7 | C8 | H8 | 158.6° | 171.0° |
| H7 | C7 | C8 | H8A | 38.6° | 51.6° |
| H7 | C7 | C13 | H13 | 63.1° | 60.5° |
| H7 | C7 | C13 | H13A | 176.8° | 59.5° |
| H7 | C7 | C13 | H13B | 56.9° | 179.5° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
