EM7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N7 | sing | 1.46Å | 1.48Å | |
| N7 | C12 | sing | 1.35Å | 1.34Å | |
| C12 | O1 | doub | 1.22Å | 1.23Å | |
| C12 | C5 | sing | 1.48Å | 1.56Å | |
| C5 | N6 | doub | 1.33Å | 1.33Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| N6 | C2 | sing | 1.33Å | 1.33Å | Aromatic |
| C4 | N8 | sing | 1.38Å | 1.32Å | |
| C4 | N5 | doub | 1.33Å | 1.34Å | Aromatic |
| N5 | C3 | sing | 1.32Å | 1.32Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.48Å | 1.39Å | |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C1 | sing | 1.48Å | 1.39Å | |
| C1 | N2 | doub | 1.32Å | 1.32Å | Aromatic |
| C1 | N1 | sing | 1.36Å | 1.33Å | Aromatic |
| N2 | N3 | sing | 1.28Å | 1.24Å | Aromatic |
| N3 | N4 | doub | 1.29Å | 1.24Å | Aromatic |
| N4 | N1 | sing | 1.41Å | 1.23Å | Aromatic |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| N8 | H81N | sing | 0.97Å | 1.00Å | |
| N8 | H82N | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N7 | C12 | 118.8° | 120.0° |
| N7 | C13 | H131 | 109.5° | 109.5° |
| N7 | C13 | H132 | 109.5° | 109.5° |
| N7 | C13 | H133 | 109.5° | 109.5° |
| C13 | N7 | H7 | 120.6° | 120.0° |
| N7 | C12 | O1 | 122.7° | 120.0° |
| N7 | C12 | C5 | 116.0° | 120.0° |
| C12 | N7 | H7 | 120.6° | 120.0° |
| O1 | C12 | C5 | 121.2° | 120.0° |
| C12 | C5 | N6 | 117.1° | 120.1° |
| C12 | C5 | C4 | 125.2° | 120.1° |
| N6 | C5 | C4 | 117.7° | 119.8° |
| C5 | N6 | C2 | 122.0° | 119.9° |
| C5 | C4 | N8 | 121.4° | 120.1° |
| C5 | C4 | N5 | 120.9° | 119.9° |
| N6 | C2 | C3 | 119.3° | 120.1° |
| N6 | C2 | C7 | 116.7° | 119.9° |
| N8 | C4 | N5 | 117.7° | 120.0° |
| C4 | N8 | H81N | 109.5° | 120.0° |
| C4 | N8 | H82N | 109.5° | 120.1° |
| C4 | N5 | C3 | 119.9° | 120.1° |
| N5 | C3 | C2 | 120.1° | 120.2° |
| N5 | C3 | H3 | 119.9° | 119.9° |
| C3 | C2 | C7 | 124.0° | 119.9° |
| C2 | C3 | H3 | 120.0° | 119.9° |
| C2 | C7 | C8 | 118.3° | 120.1° |
| C2 | C7 | C6 | 123.3° | 120.0° |
| C8 | C7 | C6 | 118.4° | 119.9° |
| C7 | C8 | C9 | 121.9° | 119.8° |
| C7 | C8 | H8 | 119.0° | 120.1° |
| C7 | C6 | C11 | 119.5° | 120.2° |
| C7 | C6 | H6 | 120.3° | 119.9° |
| C8 | C9 | C10 | 120.1° | 119.8° |
| C8 | C9 | C1 | 118.8° | 120.1° |
| C9 | C8 | H8 | 119.0° | 120.1° |
| C6 | C11 | C10 | 122.0° | 120.2° |
| C11 | C6 | H6 | 120.2° | 119.9° |
| C6 | C11 | H11 | 119.0° | 119.9° |
| C11 | C10 | C9 | 118.1° | 120.1° |
| C10 | C11 | H11 | 119.0° | 119.8° |
| C11 | C10 | H10 | 121.0° | 119.9° |
| C10 | C9 | C1 | 121.1° | 120.1° |
| C9 | C10 | H10 | 121.0° | 119.9° |
| C9 | C1 | N2 | 128.8° | 126.5° |
| C9 | C1 | N1 | 126.8° | 126.5° |
| N2 | C1 | N1 | 104.4° | 107.0° |
| C1 | N2 | N3 | 106.8° | 110.5° |
| C1 | N1 | N4 | 108.2° | 105.2° |
| C1 | N1 | H1 | 125.9° | 127.3° |
| N2 | N3 | N4 | 111.4° | 110.4° |
| N3 | N4 | N1 | 109.2° | 106.9° |
| N4 | N1 | H1 | 125.9° | 127.4° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.4° | 109.5° |
| H81N | N8 | H82N | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N7 | C12 | H7 | 180.0° | 180.0° |
| C13 | N7 | C12 | O1 | 1.4° | 0.1° |
| C13 | N7 | C12 | C5 | 179.7° | 180.0° |
| N7 | C13 | H131 | H132 | 120.0° | 120.0° |
| N7 | C13 | H131 | H133 | 120.0° | 120.0° |
| N7 | C13 | H132 | H133 | 120.0° | 120.1° |
| N7 | C12 | O1 | C5 | 178.1° | 179.9° |
| N7 | C12 | C5 | N6 | 5.2° | 5.3° |
| N7 | C12 | C5 | C4 | 176.4° | 174.4° |
| C12 | N7 | C13 | H131 | 180.0° | 60.0° |
| C12 | N7 | C13 | H132 | 60.0° | 59.9° |
| C12 | N7 | C13 | H133 | 60.0° | 180.0° |
| O1 | C12 | C5 | N6 | 173.0° | 174.6° |
| O1 | C12 | C5 | C4 | 5.3° | 5.7° |
| O1 | C12 | N7 | H7 | 178.6° | 180.0° |
| C12 | C5 | N6 | C4 | 178.5° | 179.7° |
| C12 | C5 | N6 | C2 | 179.7° | 180.0° |
| C12 | C5 | C4 | N8 | 1.4° | 0.1° |
| C12 | C5 | C4 | N5 | 179.5° | 180.0° |
| C5 | C12 | N7 | H7 | 0.4° | 0.1° |
| N6 | C5 | C4 | N8 | 179.7° | 179.8° |
| N6 | C5 | C4 | N5 | 1.2° | 0.3° |
| C5 | N6 | C2 | C3 | 1.1° | 0.1° |
| C5 | N6 | C2 | C7 | 179.6° | 180.0° |
| C4 | C5 | N6 | C2 | 1.2° | 0.3° |
| C5 | C4 | N8 | N5 | 179.1° | 179.9° |
| C5 | C4 | N5 | C3 | 0.9° | 0.0° |
| C5 | C4 | N8 | H81N | 179.1° | 5.3° |
| C5 | C4 | N8 | H82N | 59.1° | 174.6° |
| N6 | C2 | C3 | N5 | 0.8° | 0.2° |
| N6 | C2 | C3 | C7 | 178.5° | 179.9° |
| N6 | C2 | C7 | C8 | 24.2° | 175.0° |
| N6 | C2 | C7 | C6 | 157.1° | 4.7° |
| N6 | C2 | C3 | H3 | 179.2° | 180.0° |
| N8 | C4 | N5 | C3 | 179.9° | 179.9° |
| C4 | N8 | H81N | H82N | 120.0° | 179.9° |
| C4 | N5 | C3 | C2 | 0.7° | 0.2° |
| N5 | C4 | N8 | H81N | 0.0° | 174.6° |
| N5 | C4 | N8 | H82N | 120.0° | 5.5° |
| C4 | N5 | C3 | H3 | 179.3° | 180.0° |
| N5 | C3 | C2 | H3 | 180.0° | 179.8° |
| N5 | C3 | C2 | C7 | 179.2° | 179.7° |
| C3 | C2 | C7 | C8 | 154.3° | 5.1° |
| C3 | C2 | C7 | C6 | 24.3° | 175.3° |
| C2 | C7 | C8 | C6 | 178.7° | 179.7° |
| C2 | C7 | C8 | C9 | 179.4° | 180.0° |
| C2 | C7 | C6 | C11 | 179.2° | 180.0° |
| C7 | C2 | C3 | H3 | 0.8° | 0.1° |
| C2 | C7 | C8 | H8 | 0.6° | 0.1° |
| C2 | C7 | C6 | H6 | 0.8° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C8 | C7 | C6 | C11 | 0.6° | 0.3° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C7 | C8 | C9 | C1 | 178.7° | 180.0° |
| C8 | C7 | C6 | H6 | 179.4° | 179.7° |
| C6 | C7 | C8 | C9 | 0.7° | 0.3° |
| C7 | C6 | C11 | H6 | 180.0° | 179.9° |
| C7 | C6 | C11 | C10 | 0.1° | 0.1° |
| C6 | C7 | C8 | H8 | 179.3° | 179.7° |
| C7 | C6 | C11 | H11 | 179.9° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.2° |
| C8 | C9 | C10 | C1 | 179.1° | 180.0° |
| C8 | C9 | C1 | N2 | 114.1° | 0.1° |
| C8 | C9 | C1 | N1 | 65.1° | 179.7° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| C6 | C11 | C10 | H11 | 180.0° | 179.9° |
| C6 | C11 | C10 | C9 | 0.3° | 0.2° |
| C6 | C11 | C10 | H10 | 179.7° | 179.9° |
| C11 | C10 | C9 | H10 | 180.0° | 179.8° |
| C11 | C10 | C9 | C1 | 179.2° | 179.8° |
| C10 | C11 | C6 | H6 | 179.9° | 180.0° |
| C10 | C9 | C1 | N2 | 66.8° | 180.0° |
| C10 | C9 | C1 | N1 | 114.0° | 0.3° |
| C10 | C9 | C8 | H8 | 179.7° | 180.0° |
| C9 | C10 | C11 | H11 | 179.7° | 179.8° |
| C9 | C1 | N2 | N1 | 179.3° | 179.7° |
| C9 | C1 | N2 | N3 | 179.2° | 180.0° |
| C9 | C1 | N1 | N4 | 179.3° | 179.9° |
| C1 | C9 | C8 | H8 | 1.3° | 0.0° |
| C1 | C9 | C10 | H10 | 0.7° | 0.0° |
| C9 | C1 | N1 | H1 | 0.7° | 0.0° |
| C1 | N2 | N3 | N4 | 0.1° | 0.0° |
| N2 | C1 | N1 | N4 | 0.0° | 0.4° |
| N2 | C1 | N1 | H1 | 180.0° | 179.7° |
| N1 | C1 | N2 | N3 | 0.1° | 0.3° |
| C1 | N1 | N4 | N3 | 0.1° | 0.4° |
| C1 | N1 | N4 | H1 | 180.0° | 179.9° |
| N2 | N3 | N4 | N1 | 0.1° | 0.2° |
| N3 | N4 | N1 | H1 | 179.9° | 179.8° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H131 | C13 | N7 | H7 | 0.0° | 120.0° |
| H132 | C13 | N7 | H7 | 120.0° | 120.0° |
| H133 | C13 | N7 | H7 | 120.0° | 0.0° |
| H6 | C6 | C11 | H11 | 0.1° | 0.1° |
| H11 | C11 | C10 | H10 | 0.4° | 0.0° |
