O6G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N05 | C04 | trip | 1.14Å | 1.13Å | |
| N06 | C03 | sing | 1.38Å | 1.34Å | Aromatic |
| N06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.43Å | 1.53Å | |
| C08 | C07 | doub | 1.39Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | doub | 1.36Å | 1.38Å | Aromatic |
| C07 | C20 | sing | 1.41Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C20 | sing | 1.42Å | 1.40Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| C20 | C19 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.44Å | |
| N11 | S12 | sing | 1.66Å | 1.68Å | |
| O18 | S12 | doub | 1.42Å | 1.47Å | |
| S12 | O17 | doub | 1.42Å | 1.42Å | |
| S12 | C13 | sing | 1.81Å | 1.82Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| N06 | H5 | sing | 0.97Å | 1.00Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| N11 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N05 | C04 | C03 | 179.2° | 180.0° |
| C03 | N06 | C07 | 108.5° | 108.7° |
| N06 | C03 | C04 | 126.9° | 125.4° |
| N06 | C03 | C02 | 108.7° | 109.2° |
| C03 | N06 | H5 | 125.8° | 125.6° |
| N06 | C07 | C08 | 128.8° | 133.0° |
| N06 | C07 | C20 | 108.8° | 107.3° |
| C07 | N06 | H5 | 125.7° | 125.7° |
| C04 | C03 | C02 | 124.4° | 125.4° |
| C07 | C08 | C09 | 117.8° | 120.1° |
| C08 | C07 | C20 | 122.3° | 119.7° |
| C07 | C08 | H12 | 121.1° | 120.0° |
| C08 | C09 | C10 | 120.0° | 120.5° |
| C08 | C09 | H6 | 120.0° | 119.8° |
| C09 | C08 | H12 | 121.1° | 119.9° |
| C03 | C02 | C20 | 107.8° | 107.7° |
| C03 | C02 | C01 | 125.4° | 126.1° |
| C07 | C20 | C02 | 106.2° | 107.0° |
| C07 | C20 | C19 | 120.3° | 119.7° |
| C09 | C10 | C19 | 123.3° | 120.4° |
| C09 | C10 | N11 | 113.1° | 119.8° |
| C10 | C09 | H6 | 120.0° | 119.7° |
| C20 | C02 | C01 | 126.8° | 126.2° |
| C02 | C20 | C19 | 133.5° | 133.2° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.4° | 109.5° |
| C20 | C19 | C10 | 116.2° | 119.6° |
| C20 | C19 | H16 | 121.9° | 120.2° |
| C19 | C10 | N11 | 123.5° | 119.8° |
| C10 | C19 | H16 | 121.9° | 120.2° |
| C10 | N11 | S12 | 126.1° | 120.0° |
| C10 | N11 | H17 | 105.1° | 120.0° |
| N11 | S12 | O18 | 106.5° | 104.3° |
| N11 | S12 | O17 | 104.0° | 104.3° |
| N11 | S12 | C13 | 117.6° | 104.4° |
| S12 | N11 | H17 | 105.1° | 120.0° |
| O18 | S12 | O17 | 112.7° | 121.1° |
| O18 | S12 | C13 | 102.8° | 110.5° |
| O17 | S12 | C13 | 113.3° | 110.5° |
| S12 | C13 | C14 | 110.4° | 109.5° |
| S12 | C13 | H1 | 109.2° | 109.5° |
| S12 | C13 | H2 | 109.3° | 109.5° |
| C13 | C14 | C15 | 108.5° | 109.5° |
| C14 | C13 | H1 | 109.2° | 109.5° |
| C14 | C13 | H2 | 109.2° | 109.5° |
| C13 | C14 | H7 | 109.7° | 109.5° |
| C13 | C14 | H8 | 109.7° | 109.5° |
| C14 | C15 | C16 | 108.3° | 109.5° |
| C14 | C15 | H3 | 109.7° | 109.5° |
| C14 | C15 | H4 | 109.8° | 109.5° |
| C15 | C14 | H7 | 109.7° | 109.4° |
| C15 | C14 | H8 | 109.7° | 109.5° |
| C16 | C15 | H3 | 109.8° | 109.5° |
| C16 | C15 | H4 | 109.8° | 109.4° |
| C15 | C16 | H13 | 109.5° | 109.5° |
| C15 | C16 | H14 | 109.4° | 109.5° |
| C15 | C16 | H15 | 109.5° | 109.4° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.4° |
| H7 | C14 | H8 | 109.5° | 109.4° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H11 | 109.5° | 109.4° |
| H10 | C01 | H11 | 109.4° | 109.4° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H15 | 109.4° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N05 | C04 | C03 | N06 | 175.1° | 148.9° |
| N05 | C04 | C03 | C02 | 5.0° | 31.2° |
| C03 | N06 | C07 | H5 | 180.0° | 180.0° |
| N06 | C03 | C04 | C02 | 179.9° | 179.9° |
| C03 | N06 | C07 | C08 | 179.9° | 180.0° |
| C03 | N06 | C07 | C20 | 0.1° | 0.0° |
| N06 | C03 | C02 | C20 | 0.5° | 0.1° |
| N06 | C03 | C02 | C01 | 179.9° | 180.0° |
| C07 | N06 | C03 | C04 | 179.5° | 179.9° |
| N06 | C07 | C08 | C20 | 179.8° | 180.0° |
| N06 | C07 | C08 | C09 | 179.1° | 179.7° |
| C07 | N06 | C03 | C02 | 0.4° | 0.1° |
| N06 | C07 | C20 | C02 | 0.2° | 0.0° |
| N06 | C07 | C20 | C19 | 179.8° | 179.5° |
| N06 | C07 | C08 | H12 | 0.9° | 0.3° |
| C04 | C03 | C02 | C20 | 179.4° | 180.0° |
| C04 | C03 | C02 | C01 | 0.1° | 0.1° |
| C04 | C03 | N06 | H5 | 0.5° | 0.0° |
| C07 | C08 | C09 | H12 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 1.7° | 0.0° |
| C08 | C07 | C20 | C02 | 179.6° | 180.0° |
| C08 | C07 | C20 | C19 | 0.4° | 0.5° |
| C08 | C07 | N06 | H5 | 0.1° | 0.1° |
| C07 | C08 | C09 | H6 | 178.3° | 180.0° |
| C09 | C08 | C07 | C20 | 1.1° | 0.2° |
| C08 | C09 | C10 | H6 | 180.0° | 179.9° |
| C08 | C09 | C10 | C19 | 1.7° | 0.0° |
| C08 | C09 | C10 | N11 | 179.0° | 179.7° |
| C03 | C02 | C20 | C07 | 0.4° | 0.1° |
| C03 | C02 | C20 | C01 | 179.5° | 179.9° |
| C03 | C02 | C20 | C19 | 179.5° | 179.3° |
| C02 | C03 | N06 | H5 | 179.6° | 179.9° |
| C03 | C02 | C01 | H9 | 90.3° | 90.1° |
| C03 | C02 | C01 | H10 | 149.7° | 30.0° |
| C03 | C02 | C01 | H11 | 29.8° | 149.9° |
| C07 | C20 | C02 | C19 | 180.0° | 179.4° |
| C07 | C20 | C02 | C01 | 180.0° | 180.0° |
| C07 | C20 | C19 | C10 | 0.3° | 0.5° |
| C20 | C07 | N06 | H5 | 179.9° | 180.0° |
| C20 | C07 | C08 | H12 | 178.9° | 179.7° |
| C07 | C20 | C19 | H16 | 179.7° | 179.4° |
| C09 | C10 | C19 | C20 | 0.9° | 0.2° |
| C09 | C10 | C19 | N11 | 177.1° | 179.8° |
| C09 | C10 | N11 | S12 | 174.8° | 46.0° |
| C10 | C09 | C08 | H12 | 178.3° | 180.0° |
| C09 | C10 | C19 | H16 | 179.1° | 179.7° |
| C09 | C10 | N11 | H17 | 52.6° | 134.1° |
| C02 | C20 | C19 | C10 | 179.7° | 179.8° |
| C20 | C02 | C01 | H9 | 90.3° | 90.0° |
| C20 | C02 | C01 | H10 | 29.7° | 149.9° |
| C20 | C02 | C01 | H11 | 149.7° | 30.0° |
| C02 | C20 | C19 | H16 | 0.3° | 0.1° |
| C01 | C02 | C20 | C19 | 0.0° | 0.6° |
| C02 | C01 | H9 | H10 | 120.0° | 120.1° |
| C02 | C01 | H9 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C20 | C19 | C10 | H16 | 180.0° | 180.0° |
| C20 | C19 | C10 | N11 | 178.0° | 180.0° |
| C19 | C10 | N11 | S12 | 7.9° | 133.8° |
| C19 | C10 | C09 | H6 | 178.3° | 180.0° |
| C19 | C10 | N11 | H17 | 130.1° | 46.2° |
| C10 | N11 | S12 | H17 | 122.2° | 180.0° |
| C10 | N11 | S12 | O18 | 55.3° | 54.9° |
| C10 | N11 | S12 | O17 | 174.6° | 177.2° |
| C10 | N11 | S12 | C13 | 59.2° | 61.2° |
| N11 | C10 | C09 | H6 | 0.9° | 0.2° |
| N11 | C10 | C19 | H16 | 2.0° | 0.1° |
| N11 | S12 | O18 | O17 | 113.4° | 116.8° |
| N11 | S12 | O18 | C13 | 124.2° | 111.7° |
| N11 | S12 | O17 | C13 | 128.8° | 111.7° |
| N11 | S12 | C13 | C14 | 89.1° | 175.0° |
| N11 | S12 | C13 | H1 | 31.0° | 65.0° |
| N11 | S12 | C13 | H2 | 150.7° | 55.0° |
| O18 | S12 | O17 | C13 | 116.2° | 131.5° |
| O18 | S12 | C13 | C14 | 154.3° | 73.4° |
| O18 | S12 | C13 | H1 | 85.6° | 46.6° |
| O18 | S12 | C13 | H2 | 34.2° | 166.6° |
| O18 | S12 | N11 | H17 | 66.9° | 125.1° |
| O17 | S12 | C13 | C14 | 32.4° | 63.4° |
| O17 | S12 | C13 | H1 | 152.5° | 176.6° |
| O17 | S12 | C13 | H2 | 87.8° | 56.6° |
| O17 | S12 | N11 | H17 | 52.4° | 2.8° |
| S12 | C13 | C14 | H1 | 120.1° | 120.0° |
| S12 | C13 | C14 | H2 | 120.1° | 120.0° |
| S12 | C13 | C14 | C15 | 171.6° | 180.0° |
| S12 | C13 | H1 | H2 | 119.6° | 120.0° |
| S12 | C13 | C14 | H7 | 68.5° | 60.0° |
| S12 | C13 | C14 | H8 | 51.8° | 59.9° |
| C13 | S12 | N11 | H17 | 178.5° | 118.8° |
| C13 | C14 | C15 | H7 | 119.8° | 120.0° |
| C13 | C14 | C15 | H8 | 119.8° | 120.1° |
| C13 | C14 | C15 | C16 | 171.9° | 180.0° |
| C14 | C13 | H1 | H2 | 119.6° | 120.0° |
| C13 | C14 | C15 | H3 | 52.1° | 60.0° |
| C13 | C14 | C15 | H4 | 68.2° | 60.0° |
| C13 | C14 | H7 | H8 | 120.4° | 120.0° |
| C14 | C15 | C16 | H3 | 119.8° | 120.0° |
| C14 | C15 | C16 | H4 | 119.8° | 120.0° |
| C15 | C14 | C13 | H1 | 51.5° | 60.0° |
| C15 | C14 | C13 | H2 | 68.2° | 60.0° |
| C14 | C15 | H3 | H4 | 120.5° | 120.0° |
| C15 | C14 | H7 | H8 | 120.4° | 120.0° |
| C14 | C15 | C16 | H13 | 180.0° | 179.9° |
| C14 | C15 | C16 | H14 | 60.0° | 60.0° |
| C14 | C15 | C16 | H15 | 60.0° | 60.0° |
| C16 | C15 | H3 | H4 | 120.5° | 119.9° |
| C16 | C15 | C14 | H7 | 68.2° | 60.0° |
| C16 | C15 | C14 | H8 | 52.1° | 60.0° |
| C15 | C16 | H13 | H14 | 120.0° | 120.1° |
| C15 | C16 | H13 | H15 | 120.0° | 120.0° |
| C15 | C16 | H14 | H15 | 120.0° | 119.9° |
| H1 | C13 | C14 | H7 | 171.4° | 60.0° |
| H1 | C13 | C14 | H8 | 68.3° | 180.0° |
| H2 | C13 | C14 | H7 | 51.6° | 180.0° |
| H2 | C13 | C14 | H8 | 171.9° | 60.0° |
| H3 | C15 | C14 | H7 | 172.0° | 180.0° |
| H3 | C15 | C14 | H8 | 67.7° | 60.1° |
| H3 | C15 | C16 | H13 | 60.2° | 59.9° |
| H3 | C15 | C16 | H14 | 179.8° | 180.0° |
| H3 | C15 | C16 | H15 | 59.8° | 60.1° |
| H4 | C15 | C14 | H7 | 51.6° | 60.0° |
| H4 | C15 | C14 | H8 | 171.9° | 180.0° |
| H4 | C15 | C16 | H13 | 60.2° | 60.0° |
| H4 | C15 | C16 | H14 | 59.9° | 60.1° |
| H4 | C15 | C16 | H15 | 179.8° | NaN° |
| H6 | C09 | C08 | H12 | 1.7° | 0.1° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H13 | C16 | H14 | H15 | 120.0° | 120.0° |
