QQG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.22Å | 1.22Å | |
| C04 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.44Å | Aromatic |
| C02 | C03 | sing | 1.48Å | 1.61Å | |
| C02 | N25 | sing | 1.35Å | 1.49Å | |
| C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.49Å | |
| C06 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | N08 | sing | 1.47Å | 1.54Å | |
| O26 | N25 | sing | 1.42Å | 1.42Å | |
| C09 | N08 | sing | 1.47Å | 1.51Å | |
| C09 | C10 | sing | 1.53Å | 1.56Å | |
| N08 | C22 | sing | 1.47Å | 1.48Å | |
| C10 | C11 | sing | 1.52Å | 1.56Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C11 | C21 | sing | 1.52Å | 1.56Å | |
| C11 | C20 | sing | 1.51Å | 1.56Å | |
| C11 | C12 | sing | 1.54Å | 1.58Å | |
| C19 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | N13 | sing | 1.48Å | 1.53Å | |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | N13 | sing | 1.40Å | 1.45Å | |
| C15 | C16 | doub | 1.39Å | 1.45Å | Aromatic |
| N13 | C14 | sing | 1.47Å | 1.52Å | |
| C17 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C04 | H9 | sing | 1.08Å | 1.08Å | |
| C05 | H10 | sing | 1.08Å | 1.08Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| N25 | H25 | sing | 0.97Å | 1.00Å | |
| O26 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 117.6° | 120.0° |
| O01 | C02 | N25 | 120.8° | 120.0° |
| C05 | C04 | C03 | 122.9° | 119.9° |
| C04 | C05 | C06 | 119.0° | 120.1° |
| C05 | C04 | H9 | 118.5° | 120.0° |
| C04 | C05 | H10 | 120.5° | 120.0° |
| C04 | C03 | C02 | 123.8° | 120.1° |
| C04 | C03 | C24 | 115.4° | 119.7° |
| C03 | C04 | H9 | 118.6° | 120.1° |
| C03 | C02 | N25 | 121.6° | 120.0° |
| C02 | C03 | C24 | 120.9° | 120.1° |
| C02 | N25 | O26 | 125.8° | 120.0° |
| C02 | N25 | H25 | 117.1° | 120.0° |
| C05 | C06 | C07 | 116.5° | 119.8° |
| C05 | C06 | C23 | 120.0° | 120.3° |
| C06 | C05 | H10 | 120.5° | 119.9° |
| C03 | C24 | C23 | 122.3° | 119.9° |
| C03 | C24 | H8 | 118.8° | 120.1° |
| C07 | C06 | C23 | 123.5° | 119.9° |
| C06 | C07 | N08 | 113.4° | 109.5° |
| C06 | C07 | H11 | 108.5° | 109.5° |
| C06 | C07 | H12 | 108.5° | 109.5° |
| C06 | C23 | C24 | 120.4° | 120.1° |
| C06 | C23 | H23 | 119.8° | 119.9° |
| C23 | C24 | H8 | 118.8° | 120.0° |
| C24 | C23 | H23 | 119.8° | 120.0° |
| C07 | N08 | C09 | 103.9° | 111.0° |
| C07 | N08 | C22 | 102.9° | 111.0° |
| N08 | C07 | H11 | 108.4° | 109.4° |
| N08 | C07 | H12 | 108.5° | 109.5° |
| O26 | N25 | H25 | 117.1° | 120.0° |
| N25 | O26 | H26 | 109.5° | 114.0° |
| N08 | C09 | C10 | 117.1° | 109.4° |
| C09 | N08 | C22 | 114.0° | 111.3° |
| N08 | C09 | H13 | 107.5° | 109.4° |
| N08 | C09 | H14 | 107.5° | 109.5° |
| C09 | C10 | C11 | 117.0° | 109.4° |
| C09 | C10 | H1 | 107.5° | 109.5° |
| C09 | C10 | H2 | 107.5° | 109.5° |
| C10 | C09 | H13 | 107.5° | 109.5° |
| C10 | C09 | H14 | 107.5° | 109.6° |
| N08 | C22 | C21 | 115.7° | 109.4° |
| N08 | C22 | H6 | 107.9° | 109.5° |
| N08 | C22 | H7 | 107.9° | 109.5° |
| C10 | C11 | C21 | 109.5° | 110.9° |
| C10 | C11 | C20 | 115.0° | 110.8° |
| C10 | C11 | C12 | 107.3° | 110.4° |
| C11 | C10 | H1 | 107.6° | 109.5° |
| C11 | C10 | H2 | 107.6° | 109.5° |
| C22 | C21 | C11 | 118.6° | 109.4° |
| C22 | C21 | H4 | 107.1° | 109.5° |
| C22 | C21 | H5 | 107.1° | 109.5° |
| C21 | C22 | H6 | 107.9° | 109.5° |
| C21 | C22 | H7 | 107.9° | 109.5° |
| C21 | C11 | C20 | 105.9° | 110.8° |
| C21 | C11 | C12 | 116.5° | 110.4° |
| C11 | C21 | H4 | 107.2° | 109.5° |
| C11 | C21 | H5 | 107.2° | 109.5° |
| C20 | C11 | C12 | 102.8° | 103.4° |
| C11 | C20 | C19 | 130.5° | 131.9° |
| C11 | C20 | C15 | 108.4° | 107.8° |
| C11 | C12 | N13 | 101.6° | 102.5° |
| C11 | C12 | H15 | 111.4° | 110.8° |
| C11 | C12 | H16 | 111.4° | 110.7° |
| C20 | C19 | C18 | 122.4° | 120.2° |
| C19 | C20 | C15 | 121.0° | 120.3° |
| C20 | C19 | H22 | 118.8° | 119.9° |
| C19 | C18 | C17 | 118.2° | 119.9° |
| C19 | C18 | H21 | 120.9° | 120.0° |
| C18 | C19 | H22 | 118.8° | 119.9° |
| C20 | C15 | N13 | 109.6° | 110.9° |
| C20 | C15 | C16 | 115.0° | 119.1° |
| C12 | N13 | C15 | 108.2° | 108.0° |
| C12 | N13 | C14 | 117.3° | 111.0° |
| N13 | C12 | H15 | 111.4° | 110.8° |
| N13 | C12 | H16 | 111.4° | 110.8° |
| C18 | C17 | C16 | 119.2° | 120.2° |
| C18 | C17 | H3 | 120.4° | 119.9° |
| C17 | C18 | H21 | 120.9° | 120.1° |
| N13 | C15 | C16 | 135.4° | 130.0° |
| C15 | N13 | C14 | 127.5° | 111.0° |
| C15 | C16 | C17 | 124.1° | 120.3° |
| C15 | C16 | H20 | 117.9° | 119.8° |
| N13 | C14 | H17 | 109.5° | 109.5° |
| N13 | C14 | H18 | 109.5° | 109.4° |
| N13 | C14 | H19 | 109.5° | 109.5° |
| C16 | C17 | H3 | 120.4° | 119.9° |
| C17 | C16 | H20 | 117.9° | 119.9° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C21 | H5 | 109.4° | 109.5° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H11 | C07 | H12 | 109.5° | 109.4° |
| H13 | C09 | H14 | 109.4° | 109.5° |
| H15 | C12 | H16 | 109.5° | 110.9° |
| H17 | C14 | H18 | 109.4° | 109.5° |
| H17 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C04 | 25.0° | 180.0° |
| O01 | C02 | C03 | N25 | 178.4° | 179.9° |
| O01 | C02 | C03 | C24 | 156.9° | 0.1° |
| O01 | C02 | N25 | O26 | 0.5° | 0.1° |
| O01 | C02 | N25 | H25 | 179.5° | 180.0° |
| C05 | C04 | C03 | H9 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 178.6° | 180.0° |
| C04 | C05 | C06 | H10 | 180.0° | 180.0° |
| C05 | C04 | C03 | C24 | 0.5° | 0.1° |
| C04 | C05 | C06 | C07 | 178.6° | 180.0° |
| C04 | C05 | C06 | C23 | 0.3° | 0.0° |
| C04 | C03 | C02 | C24 | 178.0° | 179.9° |
| C04 | C03 | C02 | N25 | 153.4° | 0.1° |
| C03 | C04 | C05 | C06 | 0.6° | 0.1° |
| C04 | C03 | C24 | C23 | 0.0° | 0.0° |
| C04 | C03 | C24 | H8 | 179.9° | 179.7° |
| C03 | C04 | C05 | H10 | 179.3° | 180.0° |
| C02 | C03 | C24 | C23 | 178.2° | 179.9° |
| C03 | C02 | N25 | O26 | 178.8° | 180.0° |
| C02 | C03 | C24 | H8 | 1.9° | 0.2° |
| C02 | C03 | C04 | H9 | 1.4° | 0.1° |
| C03 | C02 | N25 | H25 | 1.2° | 0.1° |
| N25 | C02 | C03 | C24 | 24.7° | 180.0° |
| C02 | N25 | O26 | H25 | 180.0° | 179.9° |
| C02 | N25 | O26 | H26 | 0.2° | 179.9° |
| C05 | C06 | C07 | C23 | 178.3° | 180.0° |
| C05 | C06 | C23 | C24 | 0.2° | 0.0° |
| C05 | C06 | C07 | N08 | 45.6° | 90.0° |
| C06 | C05 | C04 | H9 | 179.4° | 180.0° |
| C05 | C06 | C07 | H11 | 75.0° | 150.0° |
| C05 | C06 | C07 | H12 | 166.1° | 30.0° |
| C05 | C06 | C23 | H23 | 179.8° | 179.7° |
| C03 | C24 | C23 | C06 | 0.3° | 0.0° |
| C03 | C24 | C23 | H8 | 180.0° | 179.8° |
| C24 | C03 | C04 | H9 | 179.5° | 180.0° |
| C03 | C24 | C23 | H23 | 179.7° | 179.7° |
| C07 | C06 | C23 | C24 | 178.0° | 180.0° |
| C06 | C07 | N08 | H11 | 120.6° | 120.0° |
| C06 | C07 | N08 | H12 | 120.6° | 120.0° |
| C06 | C07 | N08 | C09 | 173.2° | 170.0° |
| C06 | C07 | N08 | C22 | 67.7° | 65.7° |
| C07 | C06 | C05 | H10 | 1.3° | 0.0° |
| C06 | C07 | H11 | H12 | 118.2° | 120.0° |
| C07 | C06 | C23 | H23 | 2.0° | 0.3° |
| C06 | C23 | C24 | H23 | 180.0° | 179.7° |
| C23 | C06 | C07 | N08 | 136.2° | 90.0° |
| C06 | C23 | C24 | H8 | 179.6° | 179.8° |
| C23 | C06 | C05 | H10 | 179.6° | 180.0° |
| C23 | C06 | C07 | H11 | 103.3° | 30.0° |
| C23 | C06 | C07 | H12 | 15.6° | 150.0° |
| C07 | N08 | C09 | C22 | 111.2° | 124.1° |
| C07 | N08 | C09 | C10 | 152.8° | 173.5° |
| C07 | N08 | C22 | C21 | 155.3° | 173.5° |
| C07 | N08 | C22 | H6 | 34.4° | 53.5° |
| C07 | N08 | C22 | H7 | 83.8° | 66.5° |
| N08 | C07 | H11 | H12 | 118.2° | 120.0° |
| C07 | N08 | C09 | H13 | 86.1° | 66.5° |
| C07 | N08 | C09 | H14 | 31.6° | 53.5° |
| N08 | C09 | C10 | H13 | 121.1° | 120.0° |
| N08 | C09 | C10 | H14 | 121.1° | 120.0° |
| N08 | C09 | C10 | C11 | 40.3° | 58.0° |
| C09 | N08 | C22 | C21 | 43.5° | 62.4° |
| N08 | C09 | C10 | H1 | 80.8° | 61.9° |
| N08 | C09 | C10 | H2 | 161.4° | 178.0° |
| C09 | N08 | C22 | H6 | 77.4° | 177.6° |
| C09 | N08 | C22 | H7 | 164.4° | 57.6° |
| C09 | N08 | C07 | H11 | 52.6° | 50.0° |
| C09 | N08 | C07 | H12 | 66.2° | 70.0° |
| N08 | C09 | H13 | H14 | 116.5° | 120.0° |
| C10 | C09 | N08 | C22 | 41.5° | 62.3° |
| C09 | C10 | C11 | H1 | 121.1° | 120.0° |
| C09 | C10 | C11 | H2 | 121.1° | 120.0° |
| C09 | C10 | C11 | C21 | 37.6° | 55.8° |
| C09 | C10 | C11 | C20 | 81.4° | 67.6° |
| C09 | C10 | C11 | C12 | 164.9° | 178.4° |
| C09 | C10 | H1 | H2 | 116.6° | 120.1° |
| C10 | C09 | H13 | H14 | 116.5° | 120.1° |
| N08 | C22 | C21 | H6 | 120.9° | 120.0° |
| N08 | C22 | C21 | H7 | 120.9° | 120.0° |
| N08 | C22 | C21 | C11 | 45.7° | 58.0° |
| N08 | C22 | C21 | H4 | 167.0° | 178.0° |
| N08 | C22 | C21 | H5 | 75.6° | 62.0° |
| N08 | C22 | H6 | H7 | 117.2° | 120.0° |
| C22 | N08 | C07 | H11 | 171.7° | 174.3° |
| C22 | N08 | C07 | H12 | 52.9° | 54.3° |
| C22 | N08 | C09 | H13 | 162.7° | 57.7° |
| C22 | N08 | C09 | H14 | 79.6° | 177.6° |
| C10 | C11 | C21 | C22 | 40.9° | 55.8° |
| C10 | C11 | C21 | C20 | 124.5° | 123.4° |
| C10 | C11 | C21 | C12 | 121.9° | 122.6° |
| C10 | C11 | C20 | C12 | 116.3° | 118.3° |
| C10 | C11 | C20 | C19 | 44.7° | 45.9° |
| C10 | C11 | C20 | C15 | 135.0° | 134.0° |
| C10 | C11 | C12 | N13 | 150.0° | 143.5° |
| C11 | C10 | H1 | H2 | 116.6° | 120.0° |
| C10 | C11 | C21 | H4 | 162.2° | 175.7° |
| C10 | C11 | C21 | H5 | 80.5° | 64.3° |
| C11 | C10 | C09 | H13 | 161.4° | 61.9° |
| C11 | C10 | C09 | H14 | 80.8° | 178.0° |
| C10 | C11 | C12 | H15 | 91.2° | 98.2° |
| C10 | C11 | C12 | H16 | 31.4° | 25.3° |
| C22 | C21 | C11 | H4 | 121.3° | 119.9° |
| C22 | C21 | C11 | H5 | 121.3° | 120.0° |
| C22 | C21 | C11 | C20 | 83.7° | 67.7° |
| C22 | C21 | C11 | C12 | 162.8° | 178.4° |
| C22 | C21 | H4 | H5 | 115.8° | 120.0° |
| C21 | C22 | H6 | H7 | 117.2° | 120.0° |
| C21 | C11 | C20 | C12 | 122.7° | 118.3° |
| C21 | C11 | C20 | C19 | 76.4° | 77.6° |
| C21 | C11 | C20 | C15 | 103.9° | 102.6° |
| C21 | C11 | C12 | N13 | 86.9° | 93.6° |
| C21 | C11 | C10 | H1 | 83.5° | 64.2° |
| C21 | C11 | C10 | H2 | 158.6° | 175.8° |
| C11 | C21 | H4 | H5 | 115.9° | 120.1° |
| C11 | C21 | C22 | H6 | 75.2° | 178.0° |
| C11 | C21 | C22 | H7 | 166.6° | 62.0° |
| C21 | C11 | C12 | H15 | 31.8° | 24.7° |
| C21 | C11 | C12 | H16 | 154.4° | 148.2° |
| C11 | C20 | C19 | C15 | 179.7° | 179.9° |
| C11 | C20 | C19 | C18 | 179.9° | 179.5° |
| C20 | C11 | C12 | N13 | 28.4° | 25.0° |
| C11 | C20 | C15 | N13 | 0.5° | 0.7° |
| C11 | C20 | C15 | C16 | 180.0° | 179.4° |
| C20 | C11 | C10 | H1 | 157.5° | 172.4° |
| C20 | C11 | C10 | H2 | 39.6° | 52.4° |
| C20 | C11 | C21 | H4 | 37.6° | 52.3° |
| C20 | C11 | C21 | H5 | 155.0° | 172.3° |
| C20 | C11 | C12 | H15 | 147.1° | 143.2° |
| C20 | C11 | C12 | H16 | 90.3° | 93.3° |
| C11 | C20 | C19 | H22 | 0.1° | 0.5° |
| C12 | C11 | C20 | C19 | 160.9° | 164.2° |
| C12 | C11 | C20 | C15 | 18.8° | 15.7° |
| C11 | C12 | N13 | H15 | 118.7° | 118.3° |
| C11 | C12 | N13 | H16 | 118.7° | 118.2° |
| C11 | C12 | N13 | C15 | 29.7° | 26.5° |
| C11 | C12 | N13 | C14 | 177.3° | 148.4° |
| C12 | C11 | C10 | H1 | 43.8° | 58.4° |
| C12 | C11 | C10 | H2 | 74.1° | 61.6° |
| C12 | C11 | C21 | H4 | 75.9° | 61.7° |
| C12 | C11 | C21 | H5 | 41.5° | 58.4° |
| C11 | C12 | H15 | H16 | 123.7° | 123.4° |
| C20 | C19 | C18 | H22 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.5° | 0.0° |
| C19 | C20 | C15 | N13 | 179.2° | 179.4° |
| C19 | C20 | C15 | C16 | 0.3° | 0.5° |
| C20 | C19 | C18 | H21 | 179.5° | 179.9° |
| C18 | C19 | C20 | C15 | 0.5° | 0.4° |
| C19 | C18 | C17 | H21 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.4° | 0.2° |
| C19 | C18 | C17 | H3 | 179.6° | 179.8° |
| C20 | C15 | N13 | C12 | 19.1° | 17.8° |
| C20 | C15 | N13 | C16 | 179.4° | 180.0° |
| C20 | C15 | N13 | C14 | 168.6° | 139.7° |
| C20 | C15 | C16 | C17 | 0.2° | 0.3° |
| C20 | C15 | C16 | H20 | 179.8° | 179.6° |
| C15 | C20 | C19 | H22 | 179.5° | 179.6° |
| C12 | N13 | C15 | C14 | 149.5° | 121.9° |
| C12 | N13 | C15 | C16 | 160.2° | 162.2° |
| N13 | C12 | H15 | H16 | 123.7° | 123.5° |
| C12 | N13 | C14 | H17 | 180.0° | 180.0° |
| C12 | N13 | C14 | H18 | 60.0° | 60.0° |
| C12 | N13 | C14 | H19 | 60.0° | 59.9° |
| C18 | C17 | C16 | C15 | 0.3° | 0.1° |
| C18 | C17 | C16 | H3 | 180.0° | 179.9° |
| C18 | C17 | C16 | H20 | 179.7° | 180.0° |
| C17 | C18 | C19 | H22 | 179.5° | 180.0° |
| N13 | C15 | C16 | C17 | 179.1° | 179.6° |
| C15 | N13 | C12 | H15 | 148.4° | 144.8° |
| C15 | N13 | C12 | H16 | 89.0° | 91.7° |
| C15 | N13 | C14 | H17 | 32.9° | 59.9° |
| C15 | N13 | C14 | H18 | 152.9° | 179.9° |
| C15 | N13 | C14 | H19 | 87.1° | 60.2° |
| N13 | C15 | C16 | H20 | 0.9° | 0.4° |
| C16 | C15 | N13 | C14 | 10.8° | 40.3° |
| C15 | C16 | C17 | H20 | 180.0° | 179.9° |
| C15 | C16 | C17 | H3 | 179.7° | 180.0° |
| C14 | N13 | C12 | H15 | 58.5° | 93.4° |
| C14 | N13 | C12 | H16 | 64.0° | 30.2° |
| N13 | C14 | H17 | H18 | 120.0° | 120.0° |
| N13 | C14 | H17 | H19 | 120.0° | 120.0° |
| N13 | C14 | H18 | H19 | 120.0° | 120.0° |
| C16 | C17 | C18 | H21 | 179.6° | 179.7° |
| H1 | C10 | C09 | H13 | 40.4° | 178.1° |
| H1 | C10 | C09 | H14 | 158.1° | 58.1° |
| H2 | C10 | C09 | H13 | 77.5° | 58.1° |
| H2 | C10 | C09 | H14 | 40.3° | 62.0° |
| H3 | C17 | C16 | H20 | 0.3° | 0.1° |
| H3 | C17 | C18 | H21 | 0.4° | 0.2° |
| H4 | C21 | C22 | H6 | 46.1° | 62.0° |
| H4 | C21 | C22 | H7 | 72.0° | 58.0° |
| H5 | C21 | C22 | H6 | 163.5° | 58.0° |
| H5 | C21 | C22 | H7 | 45.3° | 178.0° |
| H8 | C24 | C23 | H23 | 0.4° | 0.0° |
| H9 | C04 | C05 | H10 | 0.7° | 0.1° |
| H17 | C14 | H18 | H19 | 120.0° | 120.1° |
| H21 | C18 | C19 | H22 | 0.5° | 0.1° |
| H25 | N25 | O26 | H26 | 179.8° | 0.0° |
