07Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C12 | sing | 1.43Å | 1.40Å | |
| O11 | C10 | sing | 1.36Å | 1.39Å | |
| C10 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C06 | C04 | sing | 1.51Å | 1.53Å | |
| C04 | N03 | sing | 1.47Å | 1.48Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| N03 | C02 | sing | 1.35Å | 1.47Å | |
| C02 | O01 | doub | 1.22Å | 1.24Å | |
| C02 | N14 | sing | 1.35Å | 1.48Å | |
| N14 | C15 | sing | 1.39Å | 1.48Å | |
| C15 | S25 | sing | 1.76Å | 1.65Å | Aromatic |
| C15 | N16 | doub | 1.30Å | 1.42Å | Aromatic |
| S25 | C24 | sing | 1.76Å | 1.64Å | Aromatic |
| N16 | C17 | sing | 1.33Å | 1.50Å | Aromatic |
| C24 | C17 | doub | 1.35Å | 1.43Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.52Å | |
| C18 | C19 | doub | 1.40Å | 1.43Å | Aromatic |
| C18 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | N21 | doub | 1.32Å | 1.35Å | Aromatic |
| C22 | N21 | sing | 1.32Å | 1.37Å | Aromatic |
| N03 | H1 | sing | 0.97Å | 1.00Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| N14 | H13 | sing | 0.97Å | 1.00Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | O11 | C10 | 118.6° | 117.0° |
| O11 | C12 | H9 | 109.5° | 109.4° |
| O11 | C12 | H10 | 109.4° | 109.5° |
| O11 | C12 | H11 | 109.5° | 109.4° |
| O11 | C10 | C09 | 121.2° | 120.1° |
| O11 | C10 | C13 | 119.0° | 120.0° |
| C09 | C10 | C13 | 119.8° | 119.9° |
| C10 | C09 | C08 | 120.2° | 120.0° |
| C10 | C09 | H8 | 119.9° | 120.0° |
| C10 | C13 | C06 | 120.3° | 119.9° |
| C10 | C13 | H12 | 119.9° | 120.0° |
| C09 | C08 | C07 | 119.7° | 120.0° |
| C09 | C08 | H7 | 120.2° | 120.0° |
| C08 | C09 | H8 | 119.9° | 120.0° |
| C13 | C06 | C07 | 119.0° | 120.1° |
| C13 | C06 | C04 | 119.6° | 119.9° |
| C06 | C13 | H12 | 119.9° | 120.0° |
| C08 | C07 | C06 | 121.1° | 120.2° |
| C08 | C07 | H6 | 119.5° | 119.9° |
| C07 | C08 | H7 | 120.2° | 120.0° |
| C07 | C06 | C04 | 121.4° | 120.0° |
| C06 | C07 | H6 | 119.5° | 120.0° |
| C06 | C04 | N03 | 115.2° | 109.4° |
| C06 | C04 | C05 | 110.2° | 109.4° |
| C06 | C04 | H2 | 105.7° | 109.5° |
| N03 | C04 | C05 | 111.8° | 109.5° |
| C04 | N03 | C02 | 123.4° | 120.0° |
| C04 | N03 | H1 | 118.3° | 120.0° |
| N03 | C04 | H2 | 103.9° | 109.5° |
| C05 | C04 | H2 | 109.6° | 109.5° |
| C04 | C05 | H3 | 109.5° | 109.5° |
| C04 | C05 | H4 | 109.5° | 109.5° |
| C04 | C05 | H5 | 109.5° | 109.5° |
| N03 | C02 | O01 | 119.6° | 120.0° |
| N03 | C02 | N14 | 119.6° | 120.0° |
| C02 | N03 | H1 | 118.3° | 120.0° |
| O01 | C02 | N14 | 120.8° | 120.0° |
| C02 | N14 | C15 | 124.4° | 120.0° |
| C02 | N14 | H13 | 117.8° | 120.0° |
| N14 | C15 | S25 | 129.0° | 125.3° |
| N14 | C15 | N16 | 122.6° | 125.3° |
| C15 | N14 | H13 | 117.8° | 120.0° |
| S25 | C15 | N16 | 108.4° | 109.4° |
| C15 | S25 | C24 | 99.7° | 90.1° |
| C15 | N16 | C17 | 112.8° | 117.0° |
| S25 | C24 | C17 | 110.4° | 108.2° |
| S25 | C24 | H18 | 124.8° | 125.9° |
| N16 | C17 | C24 | 108.8° | 115.4° |
| N16 | C17 | C18 | 125.1° | 122.3° |
| C24 | C17 | C18 | 126.1° | 122.3° |
| C17 | C24 | H18 | 124.8° | 125.9° |
| C17 | C18 | C19 | 121.1° | 120.9° |
| C17 | C18 | C23 | 120.6° | 120.9° |
| C19 | C18 | C23 | 118.3° | 118.2° |
| C18 | C19 | C20 | 120.0° | 119.0° |
| C18 | C19 | H14 | 120.0° | 120.5° |
| C18 | C23 | C22 | 119.5° | 119.0° |
| C18 | C23 | H17 | 120.3° | 120.5° |
| C19 | C20 | N21 | 120.1° | 120.9° |
| C20 | C19 | H14 | 120.0° | 120.5° |
| C19 | C20 | H15 | 120.0° | 119.6° |
| C23 | C22 | N21 | 120.6° | 120.9° |
| C23 | C22 | H16 | 119.7° | 119.5° |
| C22 | C23 | H17 | 120.3° | 120.5° |
| C20 | N21 | C22 | 121.6° | 122.0° |
| N21 | C20 | H15 | 120.0° | 119.5° |
| N21 | C22 | H16 | 119.7° | 119.6° |
| H3 | C05 | H4 | 109.4° | 109.5° |
| H3 | C05 | H5 | 109.5° | 109.5° |
| H4 | C05 | H5 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H11 | 109.5° | 109.4° |
| H10 | C12 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | O11 | C10 | C09 | 135.9° | 0.0° |
| C12 | O11 | C10 | C13 | 43.5° | 179.7° |
| O11 | C12 | H9 | H10 | 120.0° | 120.0° |
| O11 | C12 | H9 | H11 | 120.0° | 119.9° |
| O11 | C12 | H10 | H11 | 120.0° | 120.0° |
| O11 | C10 | C09 | C13 | 179.4° | 179.7° |
| O11 | C10 | C09 | C08 | 179.5° | 180.0° |
| O11 | C10 | C13 | C06 | 179.6° | 179.8° |
| O11 | C10 | C09 | H8 | 0.5° | 0.1° |
| C10 | O11 | C12 | H9 | 180.0° | 60.0° |
| C10 | O11 | C12 | H10 | 60.0° | 60.0° |
| C10 | O11 | C12 | H11 | 60.0° | 180.0° |
| O11 | C10 | C13 | H12 | 0.4° | 0.2° |
| C10 | C09 | C08 | H8 | 180.0° | 179.9° |
| C09 | C10 | C13 | C06 | 0.1° | 0.5° |
| C10 | C09 | C08 | C07 | 0.0° | 0.0° |
| C10 | C09 | C08 | H7 | 180.0° | 180.0° |
| C09 | C10 | C13 | H12 | 179.9° | 180.0° |
| C13 | C10 | C09 | C08 | 0.1° | 0.3° |
| C10 | C13 | C06 | H12 | 180.0° | 179.5° |
| C10 | C13 | C06 | C07 | 0.1° | 0.5° |
| C10 | C13 | C06 | C04 | 179.9° | 179.7° |
| C13 | C10 | C09 | H8 | 179.9° | 179.8° |
| C09 | C08 | C07 | H7 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.1° | 0.0° |
| C09 | C08 | C07 | H6 | 179.9° | 180.0° |
| C13 | C06 | C07 | C08 | 0.1° | 0.3° |
| C13 | C06 | C07 | C04 | 179.9° | 179.7° |
| C13 | C06 | C04 | N03 | 58.1° | 140.3° |
| C13 | C06 | C04 | C05 | 174.4° | 99.8° |
| C13 | C06 | C04 | H2 | 56.0° | 20.2° |
| C13 | C06 | C07 | H6 | 179.9° | 179.8° |
| C08 | C07 | C06 | H6 | 180.0° | 180.0° |
| C08 | C07 | C06 | C04 | 180.0° | 180.0° |
| C07 | C08 | C09 | H8 | 180.0° | 179.9° |
| C07 | C06 | C04 | N03 | 122.0° | 40.0° |
| C07 | C06 | C04 | C05 | 5.5° | 80.0° |
| C07 | C06 | C04 | H2 | 123.9° | 160.0° |
| C06 | C07 | C08 | H7 | 179.9° | 180.0° |
| C07 | C06 | C13 | H12 | 179.9° | 180.0° |
| C06 | C04 | N03 | C05 | 126.7° | 119.9° |
| C06 | C04 | N03 | H2 | 115.1° | 120.0° |
| C06 | C04 | C05 | H2 | 115.9° | 120.0° |
| C06 | C04 | N03 | C02 | 66.7° | 155.1° |
| C06 | C04 | N03 | H1 | 113.4° | 25.0° |
| C06 | C04 | C05 | H3 | 180.0° | 60.0° |
| C06 | C04 | C05 | H4 | 60.0° | 60.0° |
| C06 | C04 | C05 | H5 | 60.0° | 180.0° |
| C04 | C06 | C07 | H6 | 0.0° | 0.0° |
| C04 | C06 | C13 | H12 | 0.1° | 0.2° |
| N03 | C04 | C05 | H2 | 114.7° | 120.0° |
| C04 | N03 | C02 | H1 | 180.0° | 179.9° |
| C04 | N03 | C02 | O01 | 94.1° | 0.0° |
| C04 | N03 | C02 | N14 | 85.6° | 179.7° |
| N03 | C04 | C05 | H3 | 50.6° | 180.0° |
| N03 | C04 | C05 | H4 | 170.6° | 60.0° |
| N03 | C04 | C05 | H5 | 69.4° | 60.0° |
| C05 | C04 | N03 | C02 | 60.1° | 85.0° |
| C05 | C04 | N03 | H1 | 119.9° | 94.9° |
| C04 | C05 | H3 | H4 | 120.0° | 120.0° |
| C04 | C05 | H3 | H5 | 120.0° | 120.0° |
| C04 | C05 | H4 | H5 | 120.0° | 120.0° |
| N03 | C02 | O01 | N14 | 179.7° | 179.7° |
| N03 | C02 | N14 | C15 | 176.5° | 179.7° |
| C02 | N03 | C04 | H2 | 178.2° | 35.0° |
| N03 | C02 | N14 | H13 | 3.5° | 0.3° |
| O01 | C02 | N14 | C15 | 3.8° | 0.0° |
| O01 | C02 | N03 | H1 | 85.9° | 180.0° |
| O01 | C02 | N14 | H13 | 176.2° | 180.0° |
| C02 | N14 | C15 | H13 | 180.0° | 180.0° |
| C02 | N14 | C15 | S25 | 17.2° | 0.0° |
| C02 | N14 | C15 | N16 | 163.3° | 179.7° |
| N14 | C02 | N03 | H1 | 94.3° | 0.3° |
| N14 | C15 | S25 | N16 | 179.6° | 179.7° |
| N14 | C15 | S25 | C24 | 179.7° | 179.9° |
| N14 | C15 | N16 | C17 | 179.9° | 180.0° |
| S25 | C15 | N16 | C17 | 0.5° | 0.3° |
| C15 | S25 | C24 | C17 | 0.3° | 0.3° |
| S25 | C15 | N14 | H13 | 162.8° | 180.0° |
| C15 | S25 | C24 | H18 | 179.7° | 179.9° |
| N16 | C15 | S25 | C24 | 0.1° | 0.3° |
| C15 | N16 | C17 | C24 | 0.7° | 0.0° |
| C15 | N16 | C17 | C18 | 179.7° | 180.0° |
| N16 | C15 | N14 | H13 | 16.7° | 0.3° |
| S25 | C24 | C17 | N16 | 0.6° | 0.3° |
| S25 | C24 | C17 | H18 | 180.0° | 179.8° |
| S25 | C24 | C17 | C18 | 179.6° | 179.7° |
| N16 | C17 | C24 | C18 | 179.1° | 180.0° |
| N16 | C17 | C18 | C19 | 12.7° | 0.0° |
| N16 | C17 | C18 | C23 | 166.5° | 179.7° |
| N16 | C17 | C24 | H18 | 179.4° | 179.9° |
| C24 | C17 | C18 | C19 | 168.4° | 180.0° |
| C24 | C17 | C18 | C23 | 12.5° | 0.3° |
| C17 | C18 | C19 | C23 | 179.2° | 179.7° |
| C17 | C18 | C19 | C20 | 179.6° | 180.0° |
| C17 | C18 | C23 | C22 | 179.9° | 179.7° |
| C17 | C18 | C19 | H14 | 0.4° | 0.1° |
| C17 | C18 | C23 | H17 | 0.0° | 0.0° |
| C18 | C17 | C24 | H18 | 0.4° | 0.1° |
| C18 | C19 | C20 | H14 | 180.0° | 179.9° |
| C19 | C18 | C23 | C22 | 0.7° | 0.6° |
| C18 | C19 | C20 | N21 | 0.2° | 0.0° |
| C18 | C19 | C20 | H15 | 179.9° | 180.0° |
| C19 | C18 | C23 | H17 | 179.2° | 179.7° |
| C23 | C18 | C19 | C20 | 0.5° | 0.3° |
| C18 | C23 | C22 | H17 | 180.0° | 179.7° |
| C18 | C23 | C22 | N21 | 0.7° | 0.6° |
| C23 | C18 | C19 | H14 | 179.5° | 179.7° |
| C18 | C23 | C22 | H16 | 179.3° | 179.6° |
| C19 | C20 | N21 | H15 | 180.0° | 180.0° |
| C19 | C20 | N21 | C22 | 0.1° | 0.0° |
| C23 | C22 | N21 | C20 | 0.4° | 0.3° |
| C23 | C22 | N21 | H16 | 180.0° | 179.7° |
| N21 | C20 | C19 | H14 | 179.8° | 179.9° |
| C20 | N21 | C22 | H16 | 179.6° | 180.0° |
| C22 | N21 | C20 | H15 | 179.9° | 180.0° |
| N21 | C22 | C23 | H17 | 179.2° | 179.7° |
| H1 | N03 | C04 | H2 | 1.8° | 145.1° |
| H2 | C04 | C05 | H3 | 64.0° | 60.0° |
| H2 | C04 | C05 | H4 | 55.9° | 180.0° |
| H2 | C04 | C05 | H5 | 175.9° | 60.0° |
| H3 | C05 | H4 | H5 | 120.0° | 120.0° |
| H6 | C07 | C08 | H7 | 0.1° | 0.0° |
| H7 | C08 | C09 | H8 | 0.0° | 0.1° |
| H9 | C12 | H10 | H11 | 120.0° | 120.0° |
| H14 | C19 | C20 | H15 | 0.1° | 0.0° |
| H16 | C22 | C23 | H17 | 0.7° | 0.0° |
