6GM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.51Å | 1.39Å | |
| C11 | N04 | sing | 1.47Å | 1.49Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N05 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | N04 | sing | 1.46Å | 1.48Å | |
| C17 | C18 | sing | 1.51Å | 1.40Å | |
| N05 | C16 | doub | 1.32Å | 1.40Å | Aromatic |
| N04 | C02 | sing | 1.39Å | 1.33Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | N06 | sing | 1.32Å | 1.35Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| N06 | C19 | doub | 1.32Å | 1.40Å | Aromatic |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | N02 | sing | 1.33Å | 1.33Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| N02 | C01 | doub | 1.32Å | 1.33Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.48Å | 1.39Å | |
| C04 | N03 | doub | 1.33Å | 1.35Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C01 | N03 | sing | 1.32Å | 1.34Å | Aromatic |
| C01 | N01 | sing | 1.38Å | 1.33Å | |
| C08 | O01 | sing | 1.36Å | 1.37Å | |
| C08 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| O01 | H11 | sing | 0.97Å | 0.95Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C03 | H13 | sing | 1.08Å | 1.08Å | |
| N01 | H14 | sing | 0.97Å | 1.00Å | |
| N01 | H15 | sing | 0.97Å | 1.00Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | N04 | 110.9° | 109.5° |
| C11 | C12 | C13 | 120.1° | 119.6° |
| C11 | C12 | N05 | 120.2° | 119.6° |
| C12 | C11 | H17 | 109.1° | 109.4° |
| C12 | C11 | H18 | 109.1° | 109.5° |
| C11 | N04 | C17 | 116.3° | 120.0° |
| C11 | N04 | C02 | 123.1° | 120.0° |
| N04 | C11 | H17 | 109.1° | 109.4° |
| N04 | C11 | H18 | 109.1° | 109.5° |
| C12 | C13 | C14 | 120.3° | 119.2° |
| C13 | C12 | N05 | 119.7° | 120.8° |
| C12 | C13 | H2 | 119.8° | 120.4° |
| C13 | C14 | C15 | 119.6° | 118.4° |
| C14 | C13 | H2 | 119.9° | 120.4° |
| C13 | C14 | H20 | 120.2° | 120.8° |
| C12 | N05 | C16 | 121.6° | 121.7° |
| C14 | C15 | C16 | 119.3° | 119.2° |
| C14 | C15 | H3 | 120.3° | 120.4° |
| C15 | C14 | H20 | 120.2° | 120.8° |
| N04 | C17 | C18 | 115.5° | 109.5° |
| C17 | N04 | C02 | 120.0° | 120.0° |
| N04 | C17 | H4 | 108.0° | 109.5° |
| N04 | C17 | H5 | 108.0° | 109.5° |
| C17 | C18 | C22 | 118.1° | 119.6° |
| C17 | C18 | N06 | 121.5° | 119.6° |
| C18 | C17 | H4 | 107.9° | 109.4° |
| C18 | C17 | H5 | 108.0° | 109.5° |
| N05 | C16 | C15 | 119.4° | 120.8° |
| N05 | C16 | H19 | 120.3° | 119.6° |
| N04 | C02 | C03 | 123.1° | 120.5° |
| N04 | C02 | N02 | 117.3° | 120.4° |
| C16 | C15 | H3 | 120.3° | 120.4° |
| C15 | C16 | H19 | 120.3° | 119.6° |
| C22 | C18 | N06 | 120.3° | 120.8° |
| C18 | C22 | C21 | 119.9° | 119.2° |
| C18 | C22 | H8 | 120.1° | 120.4° |
| C18 | N06 | C19 | 121.0° | 121.7° |
| C22 | C21 | C20 | 119.9° | 118.4° |
| C22 | C21 | H7 | 120.1° | 120.8° |
| C21 | C22 | H8 | 120.1° | 120.4° |
| N06 | C19 | C20 | 119.4° | 120.7° |
| N06 | C19 | H16 | 120.3° | 119.6° |
| C03 | C02 | N02 | 119.6° | 119.2° |
| C02 | C03 | C04 | 117.9° | 118.4° |
| C02 | C03 | H13 | 121.1° | 120.8° |
| C02 | N02 | C01 | 122.0° | 120.8° |
| C21 | C20 | C19 | 119.5° | 119.2° |
| C21 | C20 | H6 | 120.2° | 120.4° |
| C20 | C21 | H7 | 120.0° | 120.8° |
| C03 | C04 | C05 | 119.3° | 120.4° |
| C03 | C04 | N03 | 119.6° | 119.1° |
| C04 | C03 | H13 | 121.1° | 120.8° |
| C19 | C20 | H6 | 120.2° | 120.4° |
| C20 | C19 | H16 | 120.3° | 119.6° |
| N02 | C01 | N03 | 120.1° | 121.8° |
| N02 | C01 | N01 | 118.3° | 119.1° |
| C07 | C06 | C05 | 120.2° | 120.0° |
| C06 | C07 | C08 | 120.1° | 120.0° |
| C07 | C06 | H9 | 119.9° | 120.0° |
| C06 | C07 | H10 | 119.9° | 120.0° |
| C06 | C05 | C04 | 120.3° | 120.1° |
| C06 | C05 | C10 | 119.6° | 119.9° |
| C05 | C06 | H9 | 119.9° | 120.0° |
| C05 | C04 | N03 | 121.1° | 120.5° |
| C04 | C05 | C10 | 120.1° | 120.1° |
| C04 | N03 | C01 | 120.8° | 120.8° |
| C07 | C08 | O01 | 120.4° | 119.9° |
| C07 | C08 | C09 | 119.7° | 120.2° |
| C08 | C07 | H10 | 119.9° | 120.0° |
| C05 | C10 | C09 | 120.3° | 119.9° |
| C05 | C10 | H1 | 119.9° | 120.1° |
| N03 | C01 | N01 | 121.6° | 119.1° |
| C01 | N01 | H14 | 109.5° | 120.0° |
| C01 | N01 | H15 | 109.5° | 120.0° |
| O01 | C08 | C09 | 119.9° | 119.9° |
| C08 | O01 | H11 | 109.5° | 114.0° |
| C08 | C09 | C10 | 120.1° | 120.1° |
| C08 | C09 | H12 | 119.9° | 120.0° |
| C09 | C10 | H1 | 119.8° | 120.0° |
| C10 | C09 | H12 | 119.9° | 120.0° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H14 | N01 | H15 | 109.5° | 120.0° |
| H17 | C11 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | N04 | H17 | 120.2° | 119.9° |
| C12 | C11 | N04 | H18 | 120.2° | 120.0° |
| C11 | C12 | C13 | N05 | 179.7° | 179.9° |
| C11 | C12 | C13 | C14 | 179.6° | 179.9° |
| C12 | C11 | N04 | C17 | 117.1° | 90.0° |
| C11 | C12 | N05 | C16 | 179.8° | 180.0° |
| C12 | C11 | N04 | C02 | 71.8° | 90.0° |
| C11 | C12 | C13 | H2 | 0.4° | 0.3° |
| C12 | C11 | H17 | H18 | 119.3° | 120.0° |
| N04 | C11 | C12 | C13 | 141.5° | 95.0° |
| N04 | C11 | C12 | N05 | 38.8° | 84.9° |
| C11 | N04 | C17 | C02 | 171.4° | 180.0° |
| C11 | N04 | C17 | C18 | 113.0° | 90.0° |
| C11 | N04 | C02 | C03 | 3.8° | 175.0° |
| C11 | N04 | C02 | N02 | 178.0° | 5.0° |
| C11 | N04 | C17 | H4 | 126.1° | 30.0° |
| C11 | N04 | C17 | H5 | 7.8° | 149.9° |
| N04 | C11 | H17 | H18 | 119.4° | 120.0° |
| C12 | C13 | C14 | H2 | 180.0° | 179.6° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C13 | C12 | N05 | C16 | 0.2° | 0.1° |
| C13 | C12 | C11 | H17 | 21.3° | 25.0° |
| C13 | C12 | C11 | H18 | 98.3° | 145.0° |
| C12 | C13 | C14 | H20 | 179.9° | 180.0° |
| C14 | C13 | C12 | N05 | 0.0° | 0.0° |
| C13 | C14 | C15 | H20 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | H3 | 179.9° | 179.9° |
| C12 | N05 | C16 | C15 | 0.2° | 0.0° |
| N05 | C12 | C13 | H2 | 180.0° | 179.6° |
| N05 | C12 | C11 | H17 | 159.1° | 155.1° |
| N05 | C12 | C11 | H18 | 81.4° | 35.1° |
| C12 | N05 | C16 | H19 | 179.8° | 180.0° |
| C14 | C15 | C16 | N05 | 0.1° | 0.1° |
| C14 | C15 | C16 | H3 | 180.0° | 179.9° |
| C15 | C14 | C13 | H2 | 179.8° | 179.7° |
| C14 | C15 | C16 | H19 | 180.0° | 179.9° |
| N04 | C17 | C18 | H4 | 120.9° | 120.0° |
| N04 | C17 | C18 | H5 | 120.9° | 120.1° |
| N04 | C17 | C18 | C22 | 158.6° | 95.0° |
| N04 | C17 | C18 | N06 | 22.2° | 85.0° |
| C17 | N04 | C02 | C03 | 167.0° | 5.0° |
| C17 | N04 | C02 | N02 | 11.2° | 175.0° |
| N04 | C17 | H4 | H5 | 117.3° | 120.0° |
| C17 | N04 | C11 | H17 | 122.7° | 150.1° |
| C17 | N04 | C11 | H18 | 3.1° | 30.0° |
| C18 | C17 | N04 | C02 | 75.5° | 90.0° |
| C17 | C18 | C22 | N06 | 179.2° | 179.9° |
| C17 | C18 | C22 | C21 | 179.1° | 179.9° |
| C17 | C18 | N06 | C19 | 179.3° | 179.7° |
| C18 | C17 | H4 | H5 | 117.3° | 120.0° |
| C17 | C18 | C22 | H8 | 0.8° | 0.1° |
| N05 | C16 | C15 | H19 | 180.0° | 180.0° |
| N05 | C16 | C15 | H3 | 179.9° | 180.0° |
| N04 | C02 | C03 | N02 | 178.2° | 179.9° |
| N04 | C02 | C03 | C04 | 179.2° | 180.0° |
| N04 | C02 | N02 | C01 | 179.0° | 179.8° |
| C02 | N04 | C17 | H4 | 45.3° | 150.0° |
| C02 | N04 | C17 | H5 | 163.6° | 30.1° |
| N04 | C02 | C03 | H13 | 0.8° | 0.0° |
| C02 | N04 | C11 | H17 | 48.5° | 29.9° |
| C02 | N04 | C11 | H18 | 168.0° | 150.0° |
| C16 | C15 | C14 | H20 | 179.9° | 180.0° |
| C18 | C22 | C21 | H8 | 180.0° | 179.9° |
| C22 | C18 | N06 | C19 | 0.1° | 0.4° |
| C18 | C22 | C21 | C20 | 0.6° | 0.1° |
| C22 | C18 | C17 | H4 | 37.7° | 25.0° |
| C22 | C18 | C17 | H5 | 80.5° | 144.9° |
| C18 | C22 | C21 | H7 | 179.4° | 180.0° |
| N06 | C18 | C22 | C21 | 0.1° | 0.1° |
| C18 | N06 | C19 | C20 | 0.2° | 0.6° |
| N06 | C18 | C17 | H4 | 143.1° | 155.0° |
| N06 | C18 | C17 | H5 | 98.7° | 35.0° |
| N06 | C18 | C22 | H8 | 179.9° | 180.0° |
| C18 | N06 | C19 | H16 | 179.8° | 180.0° |
| C22 | C21 | C20 | H7 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.9° | 0.3° |
| C22 | C21 | C20 | H6 | 179.1° | 179.9° |
| N06 | C19 | C20 | C21 | 0.6° | 0.5° |
| N06 | C19 | C20 | H16 | 180.0° | 179.5° |
| N06 | C19 | C20 | H6 | 179.4° | 179.7° |
| C02 | C03 | C04 | H13 | 180.0° | 180.0° |
| C03 | C02 | N02 | C01 | 0.7° | 0.3° |
| C02 | C03 | C04 | C05 | 179.7° | 180.0° |
| C02 | C03 | C04 | N03 | 0.9° | 0.2° |
| N02 | C02 | C03 | C04 | 1.0° | 0.0° |
| C02 | N02 | C01 | N03 | 0.3° | 0.3° |
| C02 | N02 | C01 | N01 | 179.3° | 179.7° |
| N02 | C02 | C03 | H13 | 179.0° | 180.0° |
| C21 | C20 | C19 | H6 | 180.0° | 179.8° |
| C20 | C21 | C22 | H8 | 179.4° | 180.0° |
| C21 | C20 | C19 | H16 | 179.3° | 180.0° |
| C03 | C04 | C05 | C06 | 38.9° | 179.8° |
| C03 | C04 | C05 | N03 | 178.8° | 179.8° |
| C03 | C04 | C05 | C10 | 139.7° | 0.3° |
| C03 | C04 | N03 | C01 | 0.5° | 0.2° |
| C19 | C20 | C21 | H7 | 179.1° | 179.8° |
| N02 | C01 | N03 | C04 | 0.2° | 0.0° |
| N02 | C01 | N03 | N01 | 179.7° | 180.0° |
| N02 | C01 | N01 | H14 | 0.0° | 180.0° |
| N02 | C01 | N01 | H15 | 120.0° | 0.0° |
| C07 | C06 | C05 | H9 | 180.0° | 179.7° |
| C07 | C06 | C05 | C04 | 179.3° | 180.0° |
| C06 | C07 | C08 | H10 | 180.0° | 179.7° |
| C07 | C06 | C05 | C10 | 0.7° | 0.0° |
| C06 | C07 | C08 | O01 | 179.8° | 180.0° |
| C06 | C07 | C08 | C09 | 0.5° | 0.6° |
| C06 | C05 | C04 | C10 | 178.6° | 180.0° |
| C06 | C05 | C04 | N03 | 142.3° | 0.0° |
| C05 | C06 | C07 | C08 | 0.6° | 0.2° |
| C06 | C05 | C10 | C09 | 0.6° | 0.0° |
| C06 | C05 | C10 | H1 | 179.4° | 179.7° |
| C05 | C06 | C07 | H10 | 179.4° | 180.0° |
| C05 | C04 | N03 | C01 | 179.3° | 180.0° |
| C04 | C05 | C10 | C09 | 179.2° | 180.0° |
| C04 | C05 | C10 | H1 | 0.8° | 0.3° |
| C04 | C05 | C06 | H9 | 0.7° | 0.2° |
| C05 | C04 | C03 | H13 | 0.3° | 0.0° |
| N03 | C04 | C05 | C10 | 39.1° | 179.9° |
| C04 | N03 | C01 | N01 | 179.4° | 180.0° |
| N03 | C04 | C03 | H13 | 179.1° | 179.8° |
| C07 | C08 | O01 | C09 | 179.7° | 179.4° |
| C07 | C08 | C09 | C10 | 0.4° | 0.6° |
| C08 | C07 | C06 | H9 | 179.4° | 180.0° |
| C07 | C08 | O01 | H11 | 180.0° | 90.0° |
| C07 | C08 | C09 | H12 | 179.6° | 179.4° |
| C05 | C10 | C09 | C08 | 0.4° | 0.3° |
| C05 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C05 | C06 | H9 | 179.3° | 179.7° |
| C05 | C10 | C09 | H12 | 179.6° | 179.7° |
| N03 | C01 | N01 | H14 | 179.7° | 0.0° |
| N03 | C01 | N01 | H15 | 59.7° | 180.0° |
| C01 | N01 | H14 | H15 | 120.0° | 179.9° |
| O01 | C08 | C09 | C10 | 179.9° | 180.0° |
| O01 | C08 | C07 | H10 | 0.2° | 0.3° |
| O01 | C08 | C09 | H12 | 0.1° | 0.0° |
| C08 | C09 | C10 | H12 | 180.0° | 180.0° |
| C08 | C09 | C10 | H1 | 179.5° | 180.0° |
| C09 | C08 | C07 | H10 | 179.5° | 179.7° |
| C09 | C08 | O01 | H11 | 0.3° | 90.6° |
| H1 | C10 | C09 | H12 | 0.5° | 0.0° |
| H2 | C13 | C14 | H20 | 0.1° | 0.4° |
| H3 | C15 | C16 | H19 | 0.1° | 0.0° |
| H3 | C15 | C14 | H20 | 0.1° | 0.1° |
| H6 | C20 | C21 | H7 | 0.8° | 0.0° |
| H6 | C20 | C19 | H16 | 0.7° | 0.2° |
| H7 | C21 | C22 | H8 | 0.6° | 0.1° |
| H9 | C06 | C07 | H10 | 0.6° | 0.3° |
