G8A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | O12 | sing | 1.45Å | 1.45Å | |
| O15 | C11 | doub | 1.21Å | 1.19Å | |
| O12 | C11 | sing | 1.35Å | 1.41Å | |
| C11 | C10 | sing | 1.48Å | 1.51Å | |
| I01 | C02 | sing | 2.10Å | 2.10Å | |
| C16 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.37Å | Aromatic |
| C02 | N03 | doub | 1.33Å | 1.32Å | Aromatic |
| C02 | C27 | sing | 1.38Å | 1.43Å | Aromatic |
| N03 | C04 | sing | 1.32Å | 1.30Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| N05 | C04 | sing | 1.39Å | 1.40Å | |
| N05 | C06 | sing | 1.35Å | 1.42Å | |
| C27 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | N23 | doub | 1.32Å | 1.33Å | Aromatic |
| O21 | S08 | doub | 1.42Å | 1.46Å | |
| N07 | C06 | sing | 1.35Å | 1.41Å | |
| N07 | S08 | sing | 1.66Å | 1.58Å | |
| C09 | S08 | sing | 1.76Å | 1.78Å | |
| C09 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | O22 | doub | 1.22Å | 1.21Å | |
| C24 | N23 | sing | 1.33Å | 1.34Å | Aromatic |
| C24 | O25 | sing | 1.36Å | 1.43Å | |
| S08 | O20 | doub | 1.42Å | 1.43Å | |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | O25 | sing | 1.43Å | 1.44Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| N05 | H14 | sing | 0.97Å | 1.00Å | |
| N07 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | O12 | 102.4° | 109.4° |
| C14 | C13 | H1 | 111.2° | 109.5° |
| C14 | C13 | H2 | 111.2° | 109.5° |
| C13 | C14 | H3 | 109.5° | 109.4° |
| C13 | C14 | H4 | 109.5° | 109.5° |
| C13 | C14 | H5 | 109.5° | 109.4° |
| C13 | O12 | C11 | 115.9° | 117.0° |
| O12 | C13 | H1 | 111.2° | 109.5° |
| O12 | C13 | H2 | 111.2° | 109.5° |
| O15 | C11 | O12 | 119.9° | 120.0° |
| O15 | C11 | C10 | 122.6° | 120.0° |
| O12 | C11 | C10 | 117.4° | 120.0° |
| C11 | C10 | C16 | 116.2° | 120.2° |
| C11 | C10 | C09 | 123.0° | 120.1° |
| I01 | C02 | N03 | 117.2° | 120.4° |
| I01 | C02 | C27 | 124.0° | 120.4° |
| C10 | C16 | C17 | 119.4° | 119.8° |
| C16 | C10 | C09 | 120.8° | 119.7° |
| C10 | C16 | H6 | 120.3° | 120.1° |
| C16 | C17 | C18 | 119.8° | 120.2° |
| C17 | C16 | H6 | 120.3° | 120.1° |
| C16 | C17 | H7 | 120.1° | 119.9° |
| C10 | C09 | S08 | 123.6° | 120.1° |
| C10 | C09 | C19 | 119.5° | 119.8° |
| N03 | C02 | C27 | 118.8° | 119.2° |
| C02 | N03 | C04 | 121.7° | 120.9° |
| C02 | C27 | C24 | 116.6° | 118.5° |
| C02 | C27 | H13 | 121.7° | 120.7° |
| N03 | C04 | N05 | 116.2° | 119.1° |
| N03 | C04 | N23 | 123.5° | 121.7° |
| C17 | C18 | C19 | 121.3° | 120.3° |
| C18 | C17 | H7 | 120.1° | 119.9° |
| C17 | C18 | H8 | 119.4° | 119.8° |
| C04 | N05 | C06 | 126.6° | 120.0° |
| N05 | C04 | N23 | 120.2° | 119.2° |
| C04 | N05 | H14 | 116.7° | 120.0° |
| N05 | C06 | N07 | 107.6° | 120.0° |
| N05 | C06 | O22 | 130.0° | 120.0° |
| C06 | N05 | H14 | 116.7° | 120.0° |
| C27 | C24 | N23 | 120.9° | 119.0° |
| C27 | C24 | O25 | 121.1° | 120.5° |
| C24 | C27 | H13 | 121.7° | 120.8° |
| C04 | N23 | C24 | 118.5° | 120.7° |
| O21 | S08 | N07 | 104.2° | 106.4° |
| O21 | S08 | C09 | 111.1° | 106.4° |
| O21 | S08 | O20 | 110.2° | 123.2° |
| C06 | N07 | S08 | 118.4° | 120.0° |
| N07 | C06 | O22 | 122.4° | 120.0° |
| C06 | N07 | H15 | 120.8° | 120.0° |
| N07 | S08 | C09 | 113.4° | 107.2° |
| N07 | S08 | O20 | 110.0° | 106.4° |
| S08 | N07 | H15 | 120.8° | 120.0° |
| S08 | C09 | C19 | 116.9° | 120.1° |
| C09 | S08 | O20 | 107.9° | 106.4° |
| C09 | C19 | C18 | 119.2° | 120.2° |
| C09 | C19 | H9 | 120.4° | 120.0° |
| N23 | C24 | O25 | 118.0° | 120.5° |
| C24 | O25 | C26 | 113.5° | 117.0° |
| C19 | C18 | H8 | 119.3° | 119.9° |
| C18 | C19 | H9 | 120.4° | 119.9° |
| O25 | C26 | H10 | 109.5° | 109.5° |
| O25 | C26 | H11 | 109.5° | 109.5° |
| O25 | C26 | H12 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C14 | H4 | 109.4° | 109.6° |
| H3 | C14 | H5 | 109.5° | 109.4° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H10 | C26 | H11 | 109.4° | 109.4° |
| H10 | C26 | H12 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | O12 | H1 | 118.8° | 120.0° |
| C14 | C13 | O12 | H2 | 118.8° | 120.0° |
| C14 | C13 | O12 | C11 | 175.1° | 175.1° |
| C14 | C13 | H1 | H2 | 123.3° | 120.0° |
| C13 | C14 | H3 | H4 | 120.0° | 120.0° |
| C13 | C14 | H3 | H5 | 120.0° | 119.9° |
| C13 | C14 | H4 | H5 | 120.0° | 120.0° |
| C13 | O12 | C11 | O15 | 2.5° | 5.1° |
| C13 | O12 | C11 | C10 | 176.4° | 174.9° |
| O12 | C13 | H1 | H2 | 123.3° | 120.0° |
| O12 | C13 | C14 | H3 | 180.0° | 175.1° |
| O12 | C13 | C14 | H4 | 60.0° | 55.0° |
| O12 | C13 | C14 | H5 | 60.0° | 65.0° |
| O15 | C11 | O12 | C10 | 178.9° | 180.0° |
| O15 | C11 | C10 | C16 | 109.4° | 173.6° |
| O15 | C11 | C10 | C09 | 71.8° | 6.4° |
| O12 | C11 | C10 | C16 | 69.5° | 6.3° |
| O12 | C11 | C10 | C09 | 109.2° | 173.7° |
| C11 | O12 | C13 | H1 | 56.3° | 64.9° |
| C11 | O12 | C13 | H2 | 66.0° | 55.1° |
| C11 | C10 | C16 | C09 | 178.8° | 180.0° |
| C11 | C10 | C16 | C17 | 179.7° | 180.0° |
| C11 | C10 | C09 | S08 | 0.4° | 0.0° |
| C11 | C10 | C09 | C19 | 179.7° | 179.7° |
| C11 | C10 | C16 | H6 | 0.3° | 0.0° |
| I01 | C02 | N03 | C27 | 179.2° | 179.8° |
| I01 | C02 | N03 | C04 | 179.6° | 179.7° |
| I01 | C02 | C27 | C24 | 178.7° | 179.8° |
| I01 | C02 | C27 | H13 | 1.3° | 0.2° |
| C10 | C16 | C17 | H6 | 180.0° | 180.0° |
| C10 | C16 | C17 | C18 | 0.6° | 0.0° |
| C16 | C10 | C09 | S08 | 178.4° | 180.0° |
| C16 | C10 | C09 | C19 | 1.0° | 0.3° |
| C10 | C16 | C17 | H7 | 179.4° | 180.0° |
| C17 | C16 | C10 | C09 | 1.5° | 0.0° |
| C16 | C17 | C18 | H7 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.8° | 0.3° |
| C16 | C17 | C18 | H8 | 179.2° | 180.0° |
| C10 | C09 | S08 | O21 | 84.2° | 175.8° |
| C10 | C09 | S08 | N07 | 32.8° | 62.3° |
| C10 | C09 | S08 | C19 | 179.3° | 179.8° |
| C10 | C09 | S08 | O20 | 155.0° | 51.2° |
| C10 | C09 | C19 | C18 | 0.4° | 0.6° |
| C09 | C10 | C16 | H6 | 178.5° | 180.0° |
| C10 | C09 | C19 | H9 | 179.6° | 179.7° |
| C02 | N03 | C04 | N05 | 178.4° | 179.9° |
| N03 | C02 | C27 | C24 | 0.5° | 0.0° |
| C02 | N03 | C04 | N23 | 1.4° | 0.0° |
| N03 | C02 | C27 | H13 | 179.5° | 180.0° |
| C27 | C02 | N03 | C04 | 0.4° | 0.1° |
| C02 | C27 | C24 | H13 | 180.0° | 180.0° |
| C02 | C27 | C24 | N23 | 0.5° | 0.0° |
| C02 | C27 | C24 | O25 | 179.6° | 180.0° |
| N03 | C04 | N05 | N23 | 177.2° | 180.0° |
| N03 | C04 | N05 | C06 | 176.7° | 5.2° |
| N03 | C04 | N23 | C24 | 1.3° | 0.0° |
| N03 | C04 | N05 | H14 | 3.3° | 174.7° |
| C17 | C18 | C19 | C09 | 1.3° | 0.6° |
| C17 | C18 | C19 | H8 | 180.0° | 179.8° |
| C18 | C17 | C16 | H6 | 179.4° | 180.0° |
| C17 | C18 | C19 | H9 | 178.7° | 179.8° |
| C04 | N05 | C06 | H14 | 180.0° | 180.0° |
| C04 | N05 | C06 | N07 | 177.7° | 175.0° |
| C04 | N05 | C06 | O22 | 2.2° | 5.0° |
| N05 | C04 | N23 | C24 | 178.3° | 180.0° |
| C06 | N05 | C04 | N23 | 0.5° | 174.8° |
| N05 | C06 | N07 | O22 | 179.9° | 180.0° |
| N05 | C06 | N07 | S08 | 179.7° | 175.0° |
| N05 | C06 | N07 | H15 | 0.3° | 5.0° |
| C27 | C24 | N23 | C04 | 0.4° | 0.1° |
| C27 | C24 | N23 | O25 | 179.1° | 180.0° |
| C27 | C24 | O25 | C26 | 14.4° | 180.0° |
| C04 | N23 | C24 | O25 | 178.8° | 180.0° |
| N23 | C04 | N05 | H14 | 179.5° | 5.3° |
| O21 | S08 | N07 | C06 | 176.9° | 50.9° |
| O21 | S08 | N07 | C09 | 121.0° | 113.5° |
| O21 | S08 | N07 | O20 | 118.1° | 132.9° |
| O21 | S08 | C09 | O20 | 120.9° | 133.0° |
| O21 | S08 | C09 | C19 | 96.5° | 3.9° |
| O21 | S08 | N07 | H15 | 3.1° | 129.1° |
| C06 | N07 | S08 | H15 | 180.0° | 180.0° |
| C06 | N07 | S08 | C09 | 56.0° | 62.6° |
| C06 | N07 | S08 | O20 | 65.0° | 176.1° |
| N07 | C06 | N05 | H14 | 2.3° | 5.1° |
| N07 | S08 | C09 | O20 | 122.1° | 113.6° |
| N07 | S08 | C09 | C19 | 146.5° | 117.4° |
| S08 | N07 | C06 | O22 | 0.2° | 5.0° |
| S08 | C09 | C19 | C18 | 179.8° | 179.7° |
| S08 | C09 | C19 | H9 | 0.2° | 0.0° |
| C09 | S08 | N07 | H15 | 124.0° | 117.4° |
| C19 | C09 | S08 | O20 | 24.4° | 129.0° |
| C09 | C19 | C18 | H9 | 180.0° | 179.7° |
| C09 | C19 | C18 | H8 | 178.7° | 179.7° |
| O22 | C06 | N05 | H14 | 177.8° | 175.0° |
| O22 | C06 | N07 | H15 | 179.8° | 174.9° |
| N23 | C24 | O25 | C26 | 166.5° | 0.0° |
| N23 | C24 | C27 | H13 | 179.5° | 179.9° |
| C24 | O25 | C26 | H10 | 180.0° | 59.9° |
| C24 | O25 | C26 | H11 | 60.0° | 60.0° |
| C24 | O25 | C26 | H12 | 60.0° | 180.0° |
| O25 | C24 | C27 | H13 | 0.4° | 0.0° |
| O20 | S08 | N07 | H15 | 115.0° | 3.8° |
| C19 | C18 | C17 | H7 | 179.2° | 179.7° |
| O25 | C26 | H10 | H11 | 120.0° | 120.0° |
| O25 | C26 | H10 | H12 | 120.1° | 120.1° |
| O25 | C26 | H11 | H12 | 120.0° | 120.0° |
| H1 | C13 | C14 | H3 | 61.1° | 55.1° |
| H1 | C13 | C14 | H4 | 58.8° | 65.0° |
| H1 | C13 | C14 | H5 | 178.8° | 175.0° |
| H2 | C13 | C14 | H3 | 61.2° | 65.0° |
| H2 | C13 | C14 | H4 | 178.9° | 175.0° |
| H2 | C13 | C14 | H5 | 58.8° | 54.9° |
| H3 | C14 | H4 | H5 | 120.0° | 120.0° |
| H6 | C16 | C17 | H7 | 0.6° | 0.0° |
| H7 | C17 | C18 | H8 | 0.8° | 0.1° |
| H8 | C18 | C19 | H9 | 1.3° | 0.0° |
| H10 | C26 | H11 | H12 | 120.0° | 120.0° |
