4GM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C11 | sing | 1.36Å | 1.35Å | |
| C11 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | N1 | sing | 1.47Å | 1.49Å | |
| N1 | C4 | sing | 1.38Å | 1.39Å | |
| C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.37Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.33Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| N2 | C12 | doub | 1.32Å | 1.35Å | Aromatic |
| C1 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.48Å | 1.47Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C | N | sing | 1.35Å | 1.39Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 118.7° | 119.9° |
| C10 | C9 | C8 | 120.6° | 120.1° |
| C10 | C9 | H2 | 119.7° | 120.0° |
| C9 | C10 | H5 | 120.6° | 120.0° |
| C10 | C11 | O1 | 122.3° | 120.1° |
| C10 | C11 | C6 | 121.4° | 119.9° |
| C11 | C10 | H5 | 120.6° | 120.1° |
| C9 | C8 | C7 | 120.4° | 120.1° |
| C9 | C8 | H1 | 119.8° | 120.0° |
| C8 | C9 | H2 | 119.7° | 120.0° |
| O1 | C11 | C6 | 116.4° | 120.0° |
| C11 | O1 | H13 | 109.5° | 114.1° |
| C11 | C6 | C7 | 118.6° | 119.9° |
| C11 | C6 | C5 | 122.4° | 120.0° |
| C8 | C7 | C6 | 120.2° | 120.1° |
| C7 | C8 | H1 | 119.8° | 120.0° |
| C8 | C7 | H4 | 119.9° | 119.9° |
| C7 | C6 | C5 | 118.8° | 120.0° |
| C6 | C7 | H4 | 119.9° | 120.0° |
| C6 | C5 | N1 | 102.1° | 109.5° |
| C6 | C5 | H8 | 111.3° | 109.5° |
| C6 | C5 | H9 | 111.3° | 109.5° |
| C5 | N1 | C4 | 120.9° | 120.0° |
| N1 | C5 | H8 | 111.3° | 109.5° |
| N1 | C5 | H9 | 111.2° | 109.5° |
| C5 | N1 | H12 | 106.5° | 120.0° |
| N1 | C4 | C3 | 123.8° | 119.5° |
| N1 | C4 | N2 | 114.8° | 119.5° |
| C4 | N1 | H12 | 106.6° | 120.0° |
| C4 | C3 | C2 | 119.2° | 119.4° |
| C3 | C4 | N2 | 121.3° | 120.9° |
| C4 | C3 | H6 | 120.4° | 120.3° |
| C3 | C2 | C1 | 120.0° | 118.5° |
| C3 | C2 | H3 | 120.0° | 120.8° |
| C2 | C3 | H6 | 120.4° | 120.3° |
| C4 | N2 | C12 | 117.1° | 121.6° |
| C2 | C1 | C12 | 118.0° | 119.1° |
| C2 | C1 | C | 119.5° | 120.5° |
| C1 | C2 | H3 | 120.0° | 120.7° |
| N2 | C12 | C1 | 124.4° | 120.5° |
| N2 | C12 | H7 | 117.8° | 119.7° |
| C12 | C1 | C | 122.5° | 120.4° |
| C1 | C12 | H7 | 117.8° | 119.8° |
| C1 | C | O | 122.5° | 120.0° |
| C1 | C | N | 117.7° | 120.0° |
| O | C | N | 119.8° | 120.0° |
| C | N | H10 | 120.0° | 120.0° |
| C | N | H11 | 120.0° | 120.0° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | N | H11 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H5 | 180.0° | 180.0° |
| C10 | C9 | C8 | H2 | 180.0° | 179.9° |
| C9 | C10 | C11 | O1 | 178.4° | 180.0° |
| C9 | C10 | C11 | C6 | 0.9° | 0.2° |
| C10 | C9 | C8 | C7 | 0.4° | 0.1° |
| C10 | C9 | C8 | H1 | 179.6° | 179.8° |
| C11 | C10 | C9 | C8 | 0.0° | 0.0° |
| C10 | C11 | O1 | C6 | 179.4° | 179.8° |
| C10 | C11 | C6 | C7 | 1.5° | 0.5° |
| C10 | C11 | C6 | C5 | 174.2° | 180.0° |
| C11 | C10 | C9 | H2 | 180.0° | 180.0° |
| C10 | C11 | O1 | H13 | 180.0° | 90.1° |
| C9 | C8 | C7 | H1 | 180.0° | 179.8° |
| C9 | C8 | C7 | C6 | 0.2° | 0.2° |
| C9 | C8 | C7 | H4 | 179.8° | 179.8° |
| C8 | C9 | C10 | H5 | 180.0° | 179.9° |
| O1 | C11 | C6 | C7 | 177.9° | 179.8° |
| O1 | C11 | C6 | C5 | 6.5° | 0.2° |
| O1 | C11 | C10 | H5 | 1.6° | 0.0° |
| C11 | C6 | C7 | C8 | 1.1° | 0.4° |
| C11 | C6 | C7 | C5 | 175.8° | 179.6° |
| C11 | C6 | C5 | N1 | 130.8° | 79.5° |
| C11 | C6 | C7 | H4 | 178.9° | 179.5° |
| C6 | C11 | C10 | H5 | 179.1° | 179.8° |
| C11 | C6 | C5 | H8 | 12.0° | 160.5° |
| C11 | C6 | C5 | H9 | 110.4° | 40.5° |
| C6 | C11 | O1 | H13 | 0.6° | 90.2° |
| C8 | C7 | C6 | H4 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 174.7° | 180.0° |
| C7 | C8 | C9 | H2 | 179.6° | 180.0° |
| C7 | C6 | C5 | N1 | 44.8° | 100.0° |
| C6 | C7 | C8 | H1 | 179.8° | 180.0° |
| C7 | C6 | C5 | H8 | 163.7° | 19.9° |
| C7 | C6 | C5 | H9 | 73.9° | 139.9° |
| C6 | C5 | N1 | H8 | 118.8° | 120.0° |
| C6 | C5 | N1 | H9 | 118.8° | 120.1° |
| C6 | C5 | N1 | C4 | 85.1° | 180.0° |
| C5 | C6 | C7 | H4 | 5.3° | 0.1° |
| C6 | C5 | H8 | H9 | 123.4° | 120.1° |
| C6 | C5 | N1 | H12 | 153.3° | 0.0° |
| C5 | N1 | C4 | H12 | 121.6° | 179.9° |
| C5 | N1 | C4 | C3 | 6.4° | 0.0° |
| C5 | N1 | C4 | N2 | 169.1° | 180.0° |
| N1 | C5 | H8 | H9 | 123.4° | 120.0° |
| N1 | C4 | C3 | N2 | 175.3° | 179.9° |
| N1 | C4 | C3 | C2 | 176.1° | 179.9° |
| N1 | C4 | N2 | C12 | 176.0° | 179.6° |
| N1 | C4 | C3 | H6 | 3.9° | 0.0° |
| C4 | N1 | C5 | H8 | 33.8° | 60.0° |
| C4 | N1 | C5 | H9 | 156.1° | 60.0° |
| C4 | C3 | C2 | H6 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C3 | C4 | N2 | C12 | 0.4° | 0.3° |
| C4 | C3 | C2 | H3 | 179.4° | 179.7° |
| C3 | C4 | N1 | H12 | 115.2° | 180.0° |
| C2 | C3 | C4 | N2 | 0.9° | 0.0° |
| C3 | C2 | C1 | H3 | 180.0° | 179.7° |
| C3 | C2 | C1 | C12 | 0.3° | 0.3° |
| C3 | C2 | C1 | C | 177.9° | 179.7° |
| C4 | N2 | C12 | C1 | 0.5° | 0.6° |
| N2 | C4 | C3 | H6 | 179.1° | 180.0° |
| C4 | N2 | C12 | H7 | 179.5° | 180.0° |
| N2 | C4 | N1 | H12 | 69.3° | 0.1° |
| C2 | C1 | C12 | N2 | 0.8° | 0.6° |
| C2 | C1 | C12 | C | 178.1° | 180.0° |
| C2 | C1 | C | O | 22.5° | 0.1° |
| C2 | C1 | C | N | 159.1° | 180.0° |
| C1 | C2 | C3 | H6 | 179.5° | 180.0° |
| C2 | C1 | C12 | H7 | 179.2° | 180.0° |
| N2 | C12 | C1 | H7 | 180.0° | 179.4° |
| N2 | C12 | C1 | C | 177.3° | 179.4° |
| C12 | C1 | C | O | 155.6° | 180.0° |
| C12 | C1 | C | N | 22.9° | 0.1° |
| C12 | C1 | C2 | H3 | 179.7° | 180.0° |
| C1 | C | O | N | 178.4° | 179.9° |
| C | C1 | C2 | H3 | 2.1° | 0.0° |
| C | C1 | C12 | H7 | 2.7° | 0.0° |
| C1 | C | N | H10 | 178.5° | 0.1° |
| C1 | C | N | H11 | 1.5° | 180.0° |
| O | C | N | H10 | 0.0° | 180.0° |
| O | C | N | H11 | 180.0° | 0.1° |
| C | N | H10 | H11 | 180.0° | 179.9° |
| H1 | C8 | C9 | H2 | 0.4° | 0.2° |
| H1 | C8 | C7 | H4 | 0.2° | 0.1° |
| H2 | C9 | C10 | H5 | 0.0° | 0.0° |
| H3 | C2 | C3 | H6 | 0.5° | 0.3° |
| H8 | C5 | N1 | H12 | 87.8° | 119.9° |
| H9 | C5 | N1 | H12 | 34.5° | 120.1° |
