GD2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C09 | sing | 1.35Å | 1.46Å | |
| O11 | C09 | doub | 1.22Å | 1.19Å | |
| C09 | C08 | sing | 1.48Å | 1.53Å | |
| C12 | C08 | doub | 1.41Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.37Å | 1.47Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.42Å | Aromatic |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| C17 | C16 | sing | 1.54Å | 1.54Å | |
| O18 | C13 | sing | 1.36Å | 1.44Å | |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.44Å | Aromatic |
| C14 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | N15 | sing | 1.39Å | 1.35Å | Aromatic |
| C06 | N05 | sing | 1.36Å | 1.42Å | Aromatic |
| N15 | C16 | sing | 1.46Å | 1.46Å | |
| N15 | C04 | sing | 1.34Å | 1.40Å | Aromatic |
| C16 | C19 | sing | 1.53Å | 1.54Å | |
| N05 | C04 | doub | 1.32Å | 1.36Å | Aromatic |
| C04 | N03 | sing | 1.38Å | 1.44Å | |
| C28 | N27 | sing | 1.47Å | 1.46Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| O01 | C02 | doub | 1.22Å | 1.17Å | |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| C02 | C22 | sing | 1.47Å | 1.54Å | |
| N27 | C22 | sing | 1.37Å | 1.33Å | Aromatic |
| N27 | N26 | sing | 1.28Å | 1.37Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.35Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| N26 | C24 | doub | 1.31Å | 1.34Å | Aromatic |
| C20 | C21 | doub | 1.31Å | 1.31Å | |
| C23 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C07 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| N03 | H20 | sing | 0.97Å | 1.00Å | |
| N10 | H21 | sing | 0.97Å | 1.00Å | |
| N10 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C09 | O11 | 120.4° | 120.0° |
| N10 | C09 | C08 | 118.0° | 120.0° |
| C09 | N10 | H21 | 120.0° | 120.0° |
| C09 | N10 | H22 | 120.0° | 120.0° |
| O11 | C09 | C08 | 121.6° | 120.0° |
| C09 | C08 | C12 | 122.0° | 119.0° |
| C09 | C08 | C07 | 116.1° | 119.0° |
| C08 | C12 | C13 | 118.6° | 119.1° |
| C12 | C08 | C07 | 121.9° | 122.1° |
| C08 | C12 | H1 | 120.7° | 120.5° |
| C12 | C13 | O18 | 124.0° | 127.7° |
| C12 | C13 | C14 | 118.1° | 117.9° |
| C13 | C12 | H1 | 120.7° | 120.5° |
| C08 | C07 | C06 | 119.0° | 119.4° |
| C08 | C07 | H2 | 120.5° | 120.3° |
| O18 | C17 | C16 | 115.7° | 113.1° |
| C17 | O18 | C13 | 114.6° | 116.8° |
| O18 | C17 | H4 | 107.9° | 108.8° |
| O18 | C17 | H5 | 107.9° | 108.8° |
| C17 | C16 | N15 | 109.4° | 108.0° |
| C17 | C16 | C19 | 112.4° | 109.7° |
| C17 | C16 | H3 | 108.5° | 109.8° |
| C16 | C17 | H4 | 107.9° | 108.7° |
| C16 | C17 | H5 | 107.9° | 108.8° |
| O18 | C13 | C14 | 117.9° | 114.4° |
| C13 | C14 | C06 | 124.1° | 124.7° |
| C13 | C14 | N15 | 124.5° | 127.0° |
| C07 | C06 | C14 | 118.4° | 116.8° |
| C07 | C06 | N05 | 135.5° | 137.6° |
| C06 | C07 | H2 | 120.5° | 120.3° |
| C06 | C14 | N15 | 111.4° | 108.3° |
| C14 | C06 | N05 | 106.1° | 105.5° |
| C14 | N15 | C16 | 121.1° | 117.8° |
| C14 | N15 | C04 | 105.0° | 106.0° |
| C06 | N05 | C04 | 106.0° | 110.0° |
| C16 | N15 | C04 | 133.8° | 136.2° |
| N15 | C16 | C19 | 108.5° | 109.7° |
| N15 | C16 | H3 | 109.5° | 109.9° |
| N15 | C04 | N05 | 111.3° | 110.2° |
| N15 | C04 | N03 | 120.4° | 124.9° |
| C16 | C19 | C20 | 114.8° | 109.5° |
| C19 | C16 | H3 | 108.5° | 109.8° |
| C16 | C19 | H6 | 108.1° | 109.5° |
| C16 | C19 | H7 | 108.1° | 109.5° |
| N05 | C04 | N03 | 128.0° | 124.9° |
| C04 | N03 | C02 | 118.1° | 120.0° |
| C04 | N03 | H20 | 120.9° | 120.0° |
| N27 | C28 | C29 | 109.9° | 109.4° |
| C28 | N27 | C22 | 128.3° | 125.2° |
| C28 | N27 | N26 | 123.2° | 125.2° |
| N27 | C28 | H15 | 109.4° | 109.5° |
| N27 | C28 | H16 | 109.4° | 109.4° |
| C29 | C28 | H15 | 109.4° | 109.5° |
| C29 | C28 | H16 | 109.4° | 109.5° |
| C28 | C29 | H17 | 109.5° | 109.5° |
| C28 | C29 | H18 | 109.5° | 109.5° |
| C28 | C29 | H19 | 109.5° | 109.5° |
| O01 | C02 | N03 | 122.4° | 120.0° |
| O01 | C02 | C22 | 121.9° | 120.0° |
| N03 | C02 | C22 | 115.7° | 120.0° |
| C02 | N03 | H20 | 120.9° | 120.0° |
| C02 | C22 | N27 | 125.5° | 126.9° |
| C02 | C22 | C23 | 124.7° | 126.9° |
| C22 | N27 | N26 | 108.4° | 109.6° |
| N27 | C22 | C23 | 109.7° | 106.2° |
| N27 | N26 | C24 | 107.6° | 111.0° |
| C22 | C23 | C24 | 105.7° | 105.4° |
| C22 | C23 | H11 | 127.1° | 127.3° |
| C19 | C20 | C21 | 121.0° | 120.0° |
| C20 | C19 | H6 | 108.1° | 109.4° |
| C20 | C19 | H7 | 108.1° | 109.5° |
| C19 | C20 | H8 | 119.5° | 120.0° |
| N26 | C24 | C23 | 108.5° | 107.9° |
| N26 | C24 | C25 | 126.1° | 126.1° |
| C21 | C20 | H8 | 119.5° | 120.0° |
| C20 | C21 | H9 | 120.0° | 120.0° |
| C20 | C21 | H10 | 120.0° | 120.0° |
| C23 | C24 | C25 | 125.5° | 126.1° |
| C24 | C23 | H11 | 127.1° | 127.3° |
| C24 | C25 | H12 | 109.5° | 109.4° |
| C24 | C25 | H13 | 109.5° | 109.4° |
| C24 | C25 | H14 | 109.4° | 109.5° |
| H4 | C17 | H5 | 109.5° | 108.6° |
| H6 | C19 | H7 | 109.5° | 109.5° |
| H9 | C21 | H10 | 120.0° | 120.1° |
| H12 | C25 | H13 | 109.5° | 109.5° |
| H12 | C25 | H14 | 109.5° | 109.5° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.4° | 109.6° |
| H17 | C29 | H18 | 109.5° | 109.5° |
| H17 | C29 | H19 | 109.5° | 109.4° |
| H18 | C29 | H19 | 109.5° | 109.4° |
| H21 | N10 | H22 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C09 | O11 | C08 | 177.3° | 179.9° |
| N10 | C09 | C08 | C12 | 159.9° | 180.0° |
| N10 | C09 | C08 | C07 | 19.1° | 0.0° |
| C09 | N10 | H21 | H22 | 180.0° | 179.9° |
| O11 | C09 | C08 | C12 | 17.5° | 0.1° |
| O11 | C09 | C08 | C07 | 163.5° | 180.0° |
| O11 | C09 | N10 | H21 | 0.0° | 180.0° |
| O11 | C09 | N10 | H22 | 180.0° | 0.1° |
| C09 | C08 | C12 | C07 | 178.9° | 180.0° |
| C09 | C08 | C12 | C13 | 179.4° | 180.0° |
| C09 | C08 | C07 | C06 | 179.5° | 180.0° |
| C09 | C08 | C12 | H1 | 0.6° | 0.2° |
| C09 | C08 | C07 | H2 | 0.5° | 0.1° |
| C08 | C09 | N10 | H21 | 177.3° | 0.1° |
| C08 | C09 | N10 | H22 | 2.7° | 180.0° |
| C08 | C12 | C13 | H1 | 180.0° | 179.7° |
| C08 | C12 | C13 | O18 | 179.8° | 179.8° |
| C08 | C12 | C13 | C14 | 0.0° | 0.1° |
| C12 | C08 | C07 | C06 | 0.5° | 0.0° |
| C12 | C08 | C07 | H2 | 179.5° | 179.9° |
| C13 | C12 | C08 | C07 | 0.4° | 0.0° |
| C12 | C13 | O18 | C17 | 156.8° | 151.9° |
| C12 | C13 | O18 | C14 | 179.8° | 179.9° |
| C12 | C13 | C14 | C06 | 0.4° | 0.1° |
| C12 | C13 | C14 | N15 | 179.6° | 179.9° |
| C08 | C07 | C06 | H2 | 180.0° | 180.0° |
| C08 | C07 | C06 | C14 | 0.1° | 0.0° |
| C08 | C07 | C06 | N05 | 179.9° | 179.9° |
| C07 | C08 | C12 | H1 | 179.5° | 179.7° |
| O18 | C17 | C16 | H4 | 120.9° | 120.9° |
| O18 | C17 | C16 | H5 | 120.9° | 121.0° |
| C17 | O18 | C13 | C14 | 23.4° | 28.3° |
| O18 | C17 | C16 | N15 | 44.3° | 50.0° |
| O18 | C17 | C16 | C19 | 76.3° | 69.6° |
| O18 | C17 | C16 | H3 | 163.7° | 169.7° |
| O18 | C17 | H4 | H5 | 117.2° | 118.2° |
| C16 | C17 | O18 | C13 | 45.9° | 55.1° |
| C17 | C16 | N15 | C14 | 21.8° | 23.9° |
| C17 | C16 | N15 | C19 | 122.9° | 119.5° |
| C17 | C16 | N15 | H3 | 118.8° | 119.7° |
| C17 | C16 | N15 | C04 | 161.9° | 156.0° |
| C17 | C16 | C19 | H3 | 119.9° | 120.7° |
| C17 | C16 | C19 | C20 | 68.5° | 65.8° |
| C16 | C17 | H4 | H5 | 117.1° | 118.2° |
| C17 | C16 | C19 | H6 | 170.7° | 174.3° |
| C17 | C16 | C19 | H7 | 52.3° | 54.3° |
| O18 | C13 | C14 | C06 | 179.8° | 179.8° |
| O18 | C13 | C14 | N15 | 0.6° | 0.3° |
| O18 | C13 | C12 | H1 | 0.2° | 0.5° |
| C13 | O18 | C17 | H4 | 166.8° | 65.8° |
| C13 | O18 | C17 | H5 | 75.0° | 176.1° |
| C13 | C14 | C06 | C07 | 0.3° | 0.1° |
| C13 | C14 | C06 | N15 | 179.3° | 180.0° |
| C13 | C14 | C06 | N05 | 179.7° | 180.0° |
| C13 | C14 | N15 | C16 | 1.2° | 0.1° |
| C13 | C14 | N15 | C04 | 178.5° | 180.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.7° |
| C07 | C06 | C14 | N05 | 180.0° | 179.9° |
| C07 | C06 | C14 | N15 | 179.6° | 179.9° |
| C07 | C06 | N05 | C04 | 178.3° | 179.9° |
| C06 | C14 | N15 | C16 | 179.5° | 179.9° |
| C06 | C14 | N15 | C04 | 2.3° | 0.0° |
| C14 | C06 | N05 | C04 | 1.8° | 0.0° |
| C14 | C06 | C07 | H2 | 179.9° | 180.0° |
| N15 | C14 | C06 | N05 | 0.4° | 0.0° |
| C14 | N15 | C16 | C04 | 176.3° | 179.9° |
| C14 | N15 | C16 | C19 | 101.2° | 95.7° |
| C14 | N15 | C04 | N05 | 3.5° | 0.0° |
| C14 | N15 | C04 | N03 | 178.2° | 180.0° |
| C14 | N15 | C16 | H3 | 140.5° | 143.6° |
| C06 | N05 | C04 | N15 | 3.3° | 0.0° |
| C06 | N05 | C04 | N03 | 177.4° | 180.0° |
| N05 | C06 | C07 | H2 | 0.1° | 0.1° |
| N15 | C16 | C19 | H3 | 118.9° | 120.9° |
| C16 | N15 | C04 | N05 | 179.8° | 179.9° |
| C16 | N15 | C04 | N03 | 5.1° | 0.1° |
| N15 | C16 | C19 | C20 | 170.3° | 175.8° |
| N15 | C16 | C17 | H4 | 165.2° | 71.0° |
| N15 | C16 | C17 | H5 | 76.6° | 171.0° |
| N15 | C16 | C19 | H6 | 49.5° | 55.8° |
| N15 | C16 | C19 | H7 | 68.9° | 64.2° |
| C04 | N15 | C16 | C19 | 75.1° | 84.4° |
| N15 | C04 | N05 | N03 | 174.2° | 180.0° |
| N15 | C04 | N03 | C02 | 166.1° | 179.9° |
| C04 | N15 | C16 | H3 | 43.2° | 36.3° |
| N15 | C04 | N03 | H20 | 13.9° | 0.0° |
| C16 | C19 | C20 | H6 | 120.8° | 120.0° |
| C16 | C19 | C20 | H7 | 120.8° | 120.0° |
| C16 | C19 | C20 | C21 | 137.7° | 124.9° |
| C19 | C16 | C17 | H4 | 44.6° | 169.5° |
| C19 | C16 | C17 | H5 | 162.7° | 51.4° |
| C16 | C19 | H6 | H7 | 117.6° | 120.0° |
| C16 | C19 | C20 | H8 | 42.3° | 55.0° |
| N05 | C04 | N03 | C02 | 7.6° | 0.1° |
| N05 | C04 | N03 | H20 | 172.4° | 180.0° |
| C04 | N03 | C02 | O01 | 2.5° | 5.2° |
| C04 | N03 | C02 | H20 | 180.0° | 179.9° |
| C04 | N03 | C02 | C22 | 176.4° | 174.8° |
| N27 | C28 | C29 | H15 | 120.1° | 120.0° |
| N27 | C28 | C29 | H16 | 120.1° | 119.9° |
| C28 | N27 | C22 | C02 | 3.3° | 0.0° |
| C28 | N27 | C22 | N26 | 178.5° | 179.9° |
| C28 | N27 | C22 | C23 | 179.4° | 179.8° |
| C28 | N27 | N26 | C24 | 179.8° | 179.7° |
| N27 | C28 | H15 | H16 | 119.8° | 120.0° |
| N27 | C28 | C29 | H17 | 180.0° | 59.9° |
| N27 | C28 | C29 | H18 | 60.0° | 180.0° |
| N27 | C28 | C29 | H19 | 60.0° | 60.0° |
| C29 | C28 | N27 | C22 | 97.5° | 94.6° |
| C29 | C28 | N27 | N26 | 80.7° | 85.2° |
| C29 | C28 | H15 | H16 | 119.8° | 120.0° |
| C28 | C29 | H17 | H18 | 120.0° | 120.0° |
| C28 | C29 | H17 | H19 | 120.0° | 120.0° |
| C28 | C29 | H18 | H19 | 120.0° | 120.0° |
| O01 | C02 | N03 | C22 | 178.9° | 180.0° |
| O01 | C02 | C22 | N27 | 150.7° | 5.6° |
| O01 | C02 | C22 | C23 | 24.9° | 174.6° |
| O01 | C02 | N03 | H20 | 177.5° | 174.7° |
| N03 | C02 | C22 | N27 | 28.2° | 174.3° |
| N03 | C02 | C22 | C23 | 156.2° | 5.4° |
| C02 | C22 | N27 | C23 | 176.1° | 179.8° |
| C02 | C22 | N27 | N26 | 178.3° | 179.8° |
| C02 | C22 | C23 | C24 | 178.3° | 180.0° |
| C02 | C22 | C23 | H11 | 1.7° | 0.1° |
| C22 | C02 | N03 | H20 | 3.6° | 5.3° |
| C22 | N27 | N26 | C24 | 1.2° | 0.4° |
| N27 | C22 | C23 | C24 | 2.1° | 0.2° |
| N27 | C22 | C23 | H11 | 177.9° | 179.7° |
| C22 | N27 | C28 | H15 | 22.5° | 25.4° |
| C22 | N27 | C28 | H16 | 142.4° | 145.4° |
| N26 | N27 | C22 | C23 | 2.1° | 0.4° |
| N27 | N26 | C24 | C23 | 0.1° | 0.2° |
| N27 | N26 | C24 | C25 | 179.4° | 179.7° |
| N26 | N27 | C28 | H15 | 159.2° | 154.8° |
| N26 | N27 | C28 | H16 | 39.4° | 34.7° |
| C22 | C23 | C24 | N26 | 1.3° | 0.0° |
| C22 | C23 | C24 | H11 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 179.4° | 179.9° |
| C19 | C20 | C21 | H8 | 180.0° | 179.9° |
| C20 | C19 | C16 | H3 | 51.4° | 54.9° |
| C20 | C19 | H6 | H7 | 117.6° | 120.0° |
| C19 | C20 | C21 | H9 | 180.0° | 180.0° |
| C19 | C20 | C21 | H10 | 0.0° | 0.0° |
| N26 | C24 | C23 | C25 | 179.3° | 179.9° |
| N26 | C24 | C23 | H11 | 178.7° | 180.0° |
| N26 | C24 | C25 | H12 | 0.0° | 89.9° |
| N26 | C24 | C25 | H13 | 120.0° | 30.1° |
| N26 | C24 | C25 | H14 | 120.0° | 150.1° |
| C21 | C20 | C19 | H6 | 16.9° | 5.0° |
| C21 | C20 | C19 | H7 | 101.5° | 115.0° |
| C20 | C21 | H9 | H10 | 180.0° | 180.0° |
| C23 | C24 | C25 | H12 | 179.2° | 90.0° |
| C23 | C24 | C25 | H13 | 59.2° | 150.0° |
| C23 | C24 | C25 | H14 | 60.8° | 30.0° |
| C25 | C24 | C23 | H11 | 0.6° | 0.0° |
| C24 | C25 | H12 | H13 | 120.0° | 119.9° |
| C24 | C25 | H12 | H14 | 120.0° | 120.0° |
| C24 | C25 | H13 | H14 | 120.0° | 120.0° |
| H3 | C16 | C17 | H4 | 75.4° | 48.8° |
| H3 | C16 | C17 | H5 | 42.7° | 69.3° |
| H3 | C16 | C19 | H6 | 69.3° | 65.0° |
| H3 | C16 | C19 | H7 | 172.2° | 175.0° |
| H6 | C19 | C20 | H8 | 163.1° | 175.0° |
| H7 | C19 | C20 | H8 | 78.5° | 65.0° |
| H8 | C20 | C21 | H9 | 0.0° | 0.0° |
| H8 | C20 | C21 | H10 | 180.0° | 180.0° |
| H12 | C25 | H13 | H14 | 120.0° | 120.0° |
| H15 | C28 | C29 | H17 | 59.9° | 179.9° |
| H15 | C28 | C29 | H18 | 179.9° | 60.0° |
| H15 | C28 | C29 | H19 | 60.1° | 59.9° |
| H16 | C28 | C29 | H17 | 59.9° | 60.0° |
| H16 | C28 | C29 | H18 | 60.1° | 60.1° |
| H16 | C28 | C29 | H19 | 179.9° | 180.0° |
| H17 | C29 | H18 | H19 | 120.0° | 119.9° |
