8GR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | N13 | sing | 1.47Å | 1.52Å | |
| C15 | N10 | sing | 1.47Å | 1.50Å | |
| N13 | C12 | sing | 1.47Å | 1.51Å | |
| C01 | O02 | sing | 1.43Å | 1.44Å | |
| O02 | C03 | sing | 1.36Å | 1.40Å | |
| N10 | C09 | sing | 1.47Å | 1.56Å | |
| N10 | C11 | sing | 1.47Å | 1.50Å | |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C09 | C08 | sing | 1.51Å | 1.53Å | |
| C03 | C08 | doub | 1.39Å | 1.44Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.42Å | Aromatic |
| C04 | C05 | doub | 1.37Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| C07 | O16 | sing | 1.35Å | 1.38Å | |
| C25 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C06 | C28 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| O16 | C17 | sing | 1.35Å | 1.41Å | |
| C27 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C28 | sing | 1.42Å | 1.50Å | |
| C17 | C18 | doub | 1.36Å | 1.36Å | |
| C28 | O29 | doub | 1.22Å | 1.21Å | |
| C23 | C22 | sing | 1.40Å | 1.43Å | Aromatic |
| C23 | C19 | sing | 1.48Å | 1.46Å | Aromatic |
| C22 | N21 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.46Å | 1.47Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| N21 | C20 | sing | 1.36Å | 1.39Å | Aromatic |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.08Å | 1.08Å | |
| C05 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| N13 | H18 | sing | 1.01Å | 1.00Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| N21 | H23 | sing | 0.97Å | 1.00Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | N13 | 110.5° | 109.4° |
| C14 | C15 | N10 | 111.7° | 109.4° |
| C14 | C15 | H1 | 108.9° | 109.5° |
| C14 | C15 | H2 | 108.9° | 109.5° |
| C15 | C14 | H20 | 109.2° | 109.5° |
| C15 | C14 | H21 | 109.2° | 109.5° |
| C14 | N13 | C12 | 109.8° | 110.8° |
| C14 | N13 | H18 | 109.4° | 111.1° |
| N13 | C14 | H20 | 109.2° | 109.4° |
| N13 | C14 | H21 | 109.2° | 109.6° |
| C15 | N10 | C09 | 111.4° | 111.0° |
| C15 | N10 | C11 | 108.7° | 110.9° |
| N10 | C15 | H1 | 108.9° | 109.4° |
| N10 | C15 | H2 | 108.9° | 109.5° |
| N13 | C12 | C11 | 112.0° | 109.3° |
| N13 | C12 | H16 | 108.8° | 109.5° |
| N13 | C12 | H17 | 108.8° | 109.5° |
| C12 | N13 | H18 | 109.4° | 111.0° |
| C01 | O02 | C03 | 124.1° | 117.0° |
| O02 | C01 | H6 | 109.5° | 109.5° |
| O02 | C01 | H7 | 109.5° | 109.5° |
| O02 | C01 | H8 | 109.5° | 109.5° |
| O02 | C03 | C08 | 118.5° | 119.7° |
| O02 | C03 | C04 | 120.3° | 119.7° |
| C09 | N10 | C11 | 116.5° | 111.0° |
| N10 | C09 | C08 | 111.7° | 109.5° |
| N10 | C09 | H11 | 108.9° | 109.5° |
| N10 | C09 | H12 | 108.9° | 109.4° |
| N10 | C11 | C12 | 111.2° | 109.4° |
| N10 | C11 | H14 | 109.1° | 109.5° |
| N10 | C11 | H15 | 109.0° | 109.5° |
| C12 | C11 | H14 | 109.0° | 109.4° |
| C12 | C11 | H15 | 109.1° | 109.5° |
| C11 | C12 | H16 | 108.9° | 109.5° |
| C11 | C12 | H17 | 108.8° | 109.5° |
| C09 | C08 | C03 | 119.0° | 120.0° |
| C09 | C08 | C07 | 124.7° | 120.0° |
| C08 | C09 | H11 | 108.9° | 109.5° |
| C08 | C09 | H12 | 108.9° | 109.5° |
| C08 | C03 | C04 | 121.3° | 120.6° |
| C03 | C08 | C07 | 116.3° | 119.9° |
| C03 | C04 | C05 | 120.8° | 120.3° |
| C03 | C04 | H9 | 119.6° | 119.9° |
| C08 | C07 | C06 | 121.6° | 119.1° |
| C08 | C07 | O16 | 128.1° | 132.1° |
| C04 | C05 | C06 | 119.5° | 119.8° |
| C05 | C04 | H9 | 119.6° | 119.8° |
| C04 | C05 | H10 | 120.3° | 120.1° |
| C06 | C07 | O16 | 110.3° | 108.8° |
| C07 | C06 | C05 | 120.6° | 120.4° |
| C07 | C06 | C28 | 107.6° | 106.1° |
| C07 | O16 | C17 | 110.3° | 111.4° |
| C26 | C25 | C24 | 122.3° | 120.2° |
| C25 | C26 | C27 | 120.0° | 120.6° |
| C25 | C26 | H5 | 120.0° | 119.7° |
| C26 | C25 | H24 | 118.8° | 119.9° |
| C25 | C24 | C23 | 120.4° | 119.7° |
| C25 | C24 | H4 | 119.8° | 120.1° |
| C24 | C25 | H24 | 118.9° | 119.9° |
| C05 | C06 | C28 | 131.8° | 133.5° |
| C06 | C05 | H10 | 120.2° | 120.1° |
| C26 | C27 | C22 | 117.3° | 119.9° |
| C27 | C26 | H5 | 120.0° | 119.7° |
| C26 | C27 | H25 | 121.3° | 120.0° |
| C06 | C28 | C17 | 104.9° | 105.1° |
| C06 | C28 | O29 | 127.8° | 127.4° |
| C24 | C23 | C22 | 115.4° | 120.1° |
| C24 | C23 | C19 | 137.5° | 133.9° |
| C23 | C24 | H4 | 119.8° | 120.2° |
| O16 | C17 | C28 | 106.8° | 108.5° |
| O16 | C17 | C18 | 126.1° | 125.8° |
| C27 | C22 | C23 | 124.6° | 119.3° |
| C27 | C22 | N21 | 127.6° | 133.0° |
| C22 | C27 | H25 | 121.4° | 120.1° |
| C28 | C17 | C18 | 127.1° | 125.7° |
| C17 | C28 | O29 | 127.4° | 127.4° |
| C17 | C18 | C19 | 130.3° | 120.0° |
| C17 | C18 | H22 | 114.8° | 120.0° |
| C22 | C23 | C19 | 107.1° | 106.0° |
| C23 | C22 | N21 | 107.7° | 107.7° |
| C23 | C19 | C18 | 130.4° | 126.9° |
| C23 | C19 | C20 | 105.7° | 106.3° |
| C22 | N21 | C20 | 109.0° | 110.5° |
| C22 | N21 | H23 | 125.5° | 124.7° |
| C18 | C19 | C20 | 123.8° | 126.8° |
| C19 | C18 | H22 | 114.8° | 120.0° |
| C19 | C20 | N21 | 110.4° | 109.5° |
| C19 | C20 | H3 | 124.8° | 125.3° |
| N21 | C20 | H3 | 124.8° | 125.2° |
| C20 | N21 | H23 | 125.5° | 124.8° |
| H1 | C15 | H2 | 109.4° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.4° |
| H7 | C01 | H8 | 109.4° | 109.4° |
| H11 | C09 | H12 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.6° |
| H20 | C14 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | N13 | H20 | 120.1° | 120.0° |
| C15 | C14 | N13 | H21 | 120.2° | 120.0° |
| C14 | C15 | N10 | H1 | 120.3° | 120.0° |
| C14 | C15 | N10 | H2 | 120.3° | 120.0° |
| C15 | C14 | N13 | C12 | 54.8° | 59.4° |
| C14 | C15 | N10 | C09 | 170.3° | 176.8° |
| C14 | C15 | N10 | C11 | 60.0° | 59.3° |
| C14 | C15 | H1 | H2 | 119.0° | 120.1° |
| C15 | C14 | N13 | H18 | 65.2° | 64.5° |
| C15 | C14 | H20 | H21 | 119.5° | 120.0° |
| N13 | C14 | C15 | N10 | 59.3° | 58.5° |
| C14 | N13 | C12 | H18 | 120.1° | 123.9° |
| C14 | N13 | C12 | C11 | 53.7° | 59.3° |
| N13 | C14 | C15 | H1 | 179.7° | 61.5° |
| N13 | C14 | C15 | H2 | 61.0° | 178.4° |
| C14 | N13 | C12 | H16 | 174.1° | 60.6° |
| C14 | N13 | C12 | H17 | 66.6° | 179.3° |
| N13 | C14 | H20 | H21 | 119.5° | 120.1° |
| C15 | N10 | C09 | C11 | 125.4° | 123.8° |
| C15 | N10 | C11 | C12 | 57.7° | 59.3° |
| C15 | N10 | C09 | C08 | 77.2° | 170.0° |
| N10 | C15 | H1 | H2 | 119.0° | 120.0° |
| C15 | N10 | C09 | H11 | 162.4° | 69.9° |
| C15 | N10 | C09 | H12 | 43.1° | 50.0° |
| C15 | N10 | C11 | H14 | 178.0° | 179.2° |
| C15 | N10 | C11 | H15 | 62.6° | 60.7° |
| N10 | C15 | C14 | H20 | 179.5° | 178.4° |
| N10 | C15 | C14 | H21 | 60.8° | 61.6° |
| N13 | C12 | C11 | N10 | 56.2° | 58.4° |
| N13 | C12 | C11 | H16 | 120.4° | 119.9° |
| N13 | C12 | C11 | H17 | 120.4° | 120.0° |
| N13 | C12 | C11 | H14 | 176.5° | 178.4° |
| N13 | C12 | C11 | H15 | 64.1° | 61.6° |
| N13 | C12 | H16 | H17 | 118.8° | 120.1° |
| C12 | N13 | C14 | H20 | 175.0° | 179.4° |
| C12 | N13 | C14 | H21 | 65.3° | 60.7° |
| C01 | O02 | C03 | C08 | 174.0° | 180.0° |
| C01 | O02 | C03 | C04 | 6.4° | 0.1° |
| O02 | C01 | H6 | H7 | 120.0° | 120.0° |
| O02 | C01 | H6 | H8 | 120.0° | 120.0° |
| O02 | C01 | H7 | H8 | 120.0° | 120.0° |
| O02 | C03 | C08 | C09 | 0.2° | 0.0° |
| O02 | C03 | C08 | C04 | 179.6° | 179.9° |
| O02 | C03 | C08 | C07 | 179.8° | 179.9° |
| O02 | C03 | C04 | C05 | 179.8° | 179.9° |
| C03 | O02 | C01 | H6 | 180.0° | 180.0° |
| C03 | O02 | C01 | H7 | 60.0° | 60.0° |
| C03 | O02 | C01 | H8 | 60.0° | 60.0° |
| O02 | C03 | C04 | H9 | 0.2° | 0.0° |
| C09 | N10 | C11 | C12 | 175.5° | 176.8° |
| N10 | C09 | C08 | H11 | 120.3° | 120.0° |
| N10 | C09 | C08 | H12 | 120.3° | 120.0° |
| N10 | C09 | C08 | C03 | 90.4° | 90.0° |
| N10 | C09 | C08 | C07 | 90.1° | 90.1° |
| C09 | N10 | C15 | H1 | 50.0° | 63.2° |
| C09 | N10 | C15 | H2 | 69.3° | 56.8° |
| N10 | C09 | H11 | H12 | 119.0° | 119.9° |
| C09 | N10 | C11 | H14 | 55.2° | 56.9° |
| C09 | N10 | C11 | H15 | 64.2° | 63.2° |
| N10 | C11 | C12 | H14 | 120.3° | 119.9° |
| N10 | C11 | C12 | H15 | 120.3° | 120.0° |
| C11 | N10 | C09 | C08 | 48.2° | 66.2° |
| C11 | N10 | C15 | H1 | 179.6° | 60.7° |
| C11 | N10 | C15 | H2 | 60.3° | 179.3° |
| C11 | N10 | C09 | H11 | 72.2° | 53.9° |
| C11 | N10 | C09 | H12 | 168.5° | 173.8° |
| N10 | C11 | H14 | H15 | 119.2° | 120.1° |
| N10 | C11 | C12 | H16 | 176.6° | 61.5° |
| N10 | C11 | C12 | H17 | 64.1° | 178.4° |
| C12 | C11 | H14 | H15 | 119.2° | 120.0° |
| C11 | C12 | H16 | H17 | 118.9° | 120.0° |
| C11 | C12 | N13 | H18 | 66.4° | 64.6° |
| C09 | C08 | C03 | C07 | 179.6° | 179.9° |
| C09 | C08 | C03 | C04 | 179.8° | 179.9° |
| C09 | C08 | C07 | C06 | 179.9° | 180.0° |
| C09 | C08 | C07 | O16 | 0.4° | 0.4° |
| C08 | C09 | H11 | H12 | 119.0° | 120.0° |
| C08 | C03 | C04 | C05 | 0.6° | 0.0° |
| C03 | C08 | C07 | C06 | 0.5° | 0.0° |
| C03 | C08 | C07 | O16 | 180.0° | 179.6° |
| C08 | C03 | C04 | H9 | 179.4° | 180.0° |
| C03 | C08 | C09 | H11 | 149.3° | 150.0° |
| C03 | C08 | C09 | H12 | 30.0° | 30.0° |
| C04 | C03 | C08 | C07 | 0.6° | 0.0° |
| C03 | C04 | C05 | H9 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.4° | 0.0° |
| C03 | C04 | C05 | H10 | 179.6° | 179.9° |
| C08 | C07 | C06 | O16 | 179.6° | 179.7° |
| C08 | C07 | C06 | C05 | 0.4° | 0.0° |
| C08 | C07 | C06 | C28 | 179.8° | 179.9° |
| C08 | C07 | O16 | C17 | 179.9° | 180.0° |
| C07 | C08 | C09 | H11 | 30.3° | 30.0° |
| C07 | C08 | C09 | H12 | 149.6° | 149.9° |
| C04 | C05 | C06 | C07 | 0.3° | 0.0° |
| C04 | C05 | C06 | H10 | 180.0° | 179.9° |
| C04 | C05 | C06 | C28 | 179.9° | 179.9° |
| C07 | C06 | C05 | C28 | 179.8° | 179.9° |
| C06 | C07 | O16 | C17 | 0.3° | 0.4° |
| C07 | C06 | C28 | C17 | 0.0° | 0.0° |
| C07 | C06 | C28 | O29 | 179.9° | 179.9° |
| C07 | C06 | C05 | H10 | 179.7° | 179.9° |
| O16 | C07 | C06 | C05 | 180.0° | 179.7° |
| O16 | C07 | C06 | C28 | 0.2° | 0.2° |
| C07 | O16 | C17 | C28 | 0.2° | 0.4° |
| C07 | O16 | C17 | C18 | 179.9° | 179.8° |
| C26 | C25 | C24 | H24 | 180.0° | 179.9° |
| C25 | C26 | C27 | H5 | 180.0° | 179.8° |
| C26 | C25 | C24 | C23 | 0.0° | 0.0° |
| C25 | C26 | C27 | C22 | 0.1° | 0.2° |
| C26 | C25 | C24 | H4 | 180.0° | 180.0° |
| C25 | C26 | C27 | H25 | 179.9° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.1° |
| C25 | C24 | C23 | H4 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.0° | 0.0° |
| C25 | C24 | C23 | C19 | 179.8° | 180.0° |
| C24 | C25 | C26 | H5 | 179.9° | 179.9° |
| C05 | C06 | C28 | C17 | 179.8° | 180.0° |
| C05 | C06 | C28 | O29 | 0.1° | 0.1° |
| C06 | C05 | C04 | H9 | 179.6° | 180.0° |
| C26 | C27 | C22 | H25 | 180.0° | 179.7° |
| C26 | C27 | C22 | C23 | 0.1° | 0.3° |
| C26 | C27 | C22 | N21 | 179.9° | 179.9° |
| C27 | C26 | C25 | H24 | 180.0° | 180.0° |
| C06 | C28 | C17 | O16 | 0.1° | 0.3° |
| C06 | C28 | C17 | O29 | 180.0° | 179.9° |
| C06 | C28 | C17 | C18 | 179.8° | 180.0° |
| C28 | C06 | C05 | H10 | 0.1° | 0.0° |
| C24 | C23 | C22 | C27 | 0.1° | 0.2° |
| C24 | C23 | C22 | C19 | 179.9° | 180.0° |
| C24 | C23 | C22 | N21 | 180.0° | 180.0° |
| C24 | C23 | C19 | C18 | 0.4° | 0.2° |
| C24 | C23 | C19 | C20 | 180.0° | 179.9° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| O16 | C17 | C28 | C18 | 179.7° | 179.8° |
| O16 | C17 | C28 | O29 | 179.9° | 179.8° |
| O16 | C17 | C18 | C19 | 1.9° | 0.2° |
| O16 | C17 | C18 | H22 | 178.1° | 179.7° |
| C27 | C22 | C23 | N21 | 179.9° | 179.9° |
| C27 | C22 | C23 | C19 | 179.8° | 179.9° |
| C27 | C22 | N21 | C20 | 179.8° | 179.9° |
| C22 | C27 | C26 | H5 | 179.9° | 179.9° |
| C27 | C22 | N21 | H23 | 0.2° | 0.1° |
| C28 | C17 | C18 | C19 | 177.7° | 180.0° |
| C28 | C17 | C18 | H22 | 2.3° | 0.0° |
| C18 | C17 | C28 | O29 | 0.2° | 0.0° |
| C17 | C18 | C19 | C23 | 6.2° | 180.0° |
| C17 | C18 | C19 | H22 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 174.2° | 0.1° |
| C22 | C23 | C19 | C18 | 179.7° | 179.8° |
| C22 | C23 | C19 | C20 | 0.1° | 0.1° |
| C23 | C22 | N21 | C20 | 0.1° | 0.1° |
| C22 | C23 | C24 | H4 | 180.0° | 180.0° |
| C23 | C22 | N21 | H23 | 179.9° | 179.9° |
| C23 | C22 | C27 | H25 | 179.8° | 180.0° |
| C19 | C23 | C22 | N21 | 0.1° | 0.0° |
| C23 | C19 | C18 | C20 | 179.6° | 179.9° |
| C23 | C19 | C20 | N21 | 0.0° | 0.2° |
| C23 | C19 | C20 | H3 | 179.9° | 180.0° |
| C19 | C23 | C24 | H4 | 0.2° | 0.0° |
| C23 | C19 | C18 | H22 | 173.8° | 0.0° |
| C22 | N21 | C20 | C19 | 0.0° | 0.2° |
| C22 | N21 | C20 | H23 | 180.0° | 179.9° |
| C22 | N21 | C20 | H3 | 180.0° | 180.0° |
| N21 | C22 | C27 | H25 | 0.1° | 0.2° |
| C18 | C19 | C20 | N21 | 179.7° | 179.8° |
| C18 | C19 | C20 | H3 | 0.3° | 0.1° |
| C19 | C20 | N21 | H3 | 180.0° | 179.9° |
| C20 | C19 | C18 | H22 | 5.8° | 180.0° |
| C19 | C20 | N21 | H23 | 179.9° | 179.9° |
| H1 | C15 | C14 | H20 | 60.2° | 58.5° |
| H1 | C15 | C14 | H21 | 59.5° | 178.5° |
| H2 | C15 | C14 | H20 | 59.2° | 61.6° |
| H2 | C15 | C14 | H21 | 178.8° | 58.3° |
| H3 | C20 | N21 | H23 | 0.1° | 0.0° |
| H4 | C24 | C25 | H24 | 0.0° | 0.1° |
| H5 | C26 | C25 | H24 | 0.1° | 0.2° |
| H5 | C26 | C27 | H25 | 0.2° | 0.2° |
| H6 | C01 | H7 | H8 | 120.0° | 119.9° |
| H9 | C04 | C05 | H10 | 0.4° | 0.1° |
| H14 | C11 | C12 | H16 | 63.1° | 58.4° |
| H14 | C11 | C12 | H17 | 56.1° | 61.7° |
| H15 | C11 | C12 | H16 | 56.3° | 178.5° |
| H15 | C11 | C12 | H17 | 175.6° | 58.4° |
| H16 | C12 | N13 | H18 | 54.0° | 175.5° |
| H17 | C12 | N13 | H18 | 173.3° | 55.4° |
| H18 | N13 | C14 | H20 | 54.9° | 55.5° |
| H18 | N13 | C14 | H21 | 174.6° | 175.5° |
