RQX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | O3 | sing | 1.43Å | 1.44Å | |
| O3 | C5 | sing | 1.36Å | 1.41Å | |
| C5 | C6 | doub | 1.36Å | 1.50Å | |
| C5 | C4 | sing | 1.47Å | 1.51Å | |
| O1 | C4 | doub | 1.21Å | 1.26Å | |
| N | C6 | sing | 1.39Å | 1.37Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.48Å | 1.50Å | |
| C4 | C3 | sing | 1.48Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C11 | sing | 1.51Å | 1.54Å | |
| C7 | O2 | doub | 1.21Å | 1.25Å | |
| C7 | C2 | sing | 1.48Å | 1.51Å | |
| C11 | C10 | doub | 1.31Å | 1.35Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | doub | 1.34Å | 1.46Å | |
| C3 | C9 | sing | 1.51Å | 1.54Å | |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | O3 | C5 | 122.1° | 117.0° |
| O3 | C8 | H6 | 109.5° | 109.5° |
| O3 | C8 | H7 | 109.5° | 109.4° |
| O3 | C8 | H8 | 109.5° | 109.5° |
| O3 | C5 | C6 | 120.0° | 120.0° |
| O3 | C5 | C4 | 121.2° | 120.1° |
| C6 | C5 | C4 | 118.8° | 119.9° |
| C5 | C6 | N | 119.1° | 120.1° |
| C5 | C6 | C7 | 119.0° | 119.8° |
| C5 | C4 | O1 | 116.2° | 120.0° |
| C5 | C4 | C3 | 121.7° | 120.0° |
| O1 | C4 | C3 | 122.0° | 120.0° |
| N | C6 | C7 | 121.9° | 120.1° |
| C6 | N | H4 | 109.5° | 119.9° |
| C6 | N | H5 | 109.5° | 120.0° |
| C15 | C14 | C13 | 111.1° | 109.5° |
| C15 | C14 | H17 | 109.1° | 109.5° |
| C15 | C14 | H18 | 109.1° | 109.4° |
| C14 | C15 | H19 | 109.5° | 109.4° |
| C14 | C15 | H20 | 109.4° | 109.4° |
| C14 | C15 | H21 | 109.4° | 109.5° |
| C6 | C7 | O2 | 116.8° | 120.0° |
| C6 | C7 | C2 | 121.5° | 119.9° |
| C4 | C3 | C2 | 118.2° | 120.2° |
| C4 | C3 | C9 | 126.6° | 119.9° |
| C14 | C13 | C11 | 118.1° | 109.5° |
| C14 | C13 | H15 | 107.2° | 109.4° |
| C14 | C13 | H16 | 107.3° | 109.4° |
| C13 | C14 | H17 | 109.1° | 109.5° |
| C13 | C14 | H18 | 109.1° | 109.5° |
| C13 | C11 | C10 | 118.7° | 120.0° |
| C13 | C11 | C12 | 120.8° | 120.0° |
| C11 | C13 | H15 | 107.3° | 109.5° |
| C11 | C13 | H16 | 107.3° | 109.5° |
| O2 | C7 | C2 | 121.7° | 120.1° |
| C7 | C2 | C3 | 120.8° | 120.1° |
| C7 | C2 | C1 | 126.0° | 119.9° |
| C10 | C11 | C12 | 120.5° | 120.0° |
| C11 | C10 | C9 | 125.7° | 120.0° |
| C11 | C10 | H11 | 117.2° | 120.1° |
| C11 | C12 | H12 | 109.5° | 109.4° |
| C11 | C12 | H13 | 109.5° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C2 | C3 | C9 | 115.3° | 119.9° |
| C3 | C2 | C1 | 113.2° | 119.9° |
| C3 | C9 | C10 | 109.8° | 109.5° |
| C3 | C9 | H9 | 109.4° | 109.5° |
| C3 | C9 | H10 | 109.4° | 109.5° |
| C10 | C9 | H9 | 109.4° | 109.4° |
| C10 | C9 | H10 | 109.4° | 109.5° |
| C9 | C10 | H11 | 117.2° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H4 | N | H5 | 109.5° | 120.1° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H6 | C8 | H8 | 109.4° | 109.5° |
| H7 | C8 | H8 | 109.4° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H14 | 109.4° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H19 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | O3 | C5 | C6 | 65.8° | 113.1° |
| C8 | O3 | C5 | C4 | 114.7° | 66.9° |
| O3 | C8 | H6 | H7 | 120.0° | 119.9° |
| O3 | C8 | H6 | H8 | 120.0° | 120.0° |
| O3 | C8 | H7 | H8 | 120.0° | 120.0° |
| O3 | C5 | C6 | C4 | 179.6° | 180.0° |
| O3 | C5 | C4 | O1 | 0.4° | 0.0° |
| O3 | C5 | C6 | N | 0.5° | 0.1° |
| O3 | C5 | C6 | C7 | 179.7° | 180.0° |
| O3 | C5 | C4 | C3 | 179.6° | 179.8° |
| C5 | O3 | C8 | H6 | 180.0° | 65.5° |
| C5 | O3 | C8 | H7 | 60.0° | 174.5° |
| C5 | O3 | C8 | H8 | 60.0° | 54.5° |
| C6 | C5 | C4 | O1 | 179.2° | 180.0° |
| C5 | C6 | N | C7 | 179.2° | 179.9° |
| C6 | C5 | C4 | C3 | 0.8° | 0.2° |
| C5 | C6 | C7 | O2 | 179.6° | 180.0° |
| C5 | C6 | C7 | C2 | 0.3° | 0.3° |
| C5 | C6 | N | H4 | 180.0° | 174.7° |
| C5 | C6 | N | H5 | 60.0° | 5.2° |
| C5 | C4 | O1 | C3 | 180.0° | 179.8° |
| C4 | C5 | C6 | N | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.7° | 0.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.2° |
| C5 | C4 | C3 | C9 | 179.8° | 180.0° |
| O1 | C4 | C3 | C2 | 179.6° | 180.0° |
| O1 | C4 | C3 | C9 | 0.1° | 0.2° |
| N | C6 | C7 | O2 | 0.4° | 0.1° |
| N | C6 | C7 | C2 | 179.5° | 179.8° |
| C6 | N | H4 | H5 | 120.0° | 179.9° |
| C15 | C14 | C13 | H17 | 120.2° | 120.0° |
| C15 | C14 | C13 | H18 | 120.2° | 120.0° |
| C15 | C14 | C13 | C11 | 136.3° | 180.0° |
| C15 | C14 | C13 | H15 | 15.1° | 60.0° |
| C15 | C14 | C13 | H16 | 102.4° | 60.0° |
| C15 | C14 | H17 | H18 | 119.3° | 120.0° |
| C14 | C15 | H19 | H20 | 120.0° | 119.9° |
| C14 | C15 | H19 | H21 | 120.0° | 120.0° |
| C14 | C15 | H20 | H21 | 120.0° | 120.0° |
| C6 | C7 | O2 | C2 | 179.9° | 179.7° |
| C6 | C7 | C2 | C3 | 0.2° | 0.3° |
| C6 | C7 | C2 | C1 | 179.5° | 179.7° |
| C7 | C6 | N | H4 | 0.8° | 5.4° |
| C7 | C6 | N | H5 | 119.2° | 174.7° |
| C4 | C3 | C2 | C7 | 0.1° | 0.1° |
| C4 | C3 | C2 | C9 | 179.5° | 179.7° |
| C4 | C3 | C9 | C10 | 41.9° | 85.0° |
| C4 | C3 | C2 | C1 | 179.6° | 180.0° |
| C4 | C3 | C9 | H9 | 78.1° | 35.0° |
| C4 | C3 | C9 | H10 | 161.9° | 155.0° |
| C14 | C13 | C11 | H15 | 121.2° | 120.0° |
| C14 | C13 | C11 | H16 | 121.3° | 120.0° |
| C14 | C13 | C11 | C10 | 59.9° | 95.0° |
| C14 | C13 | C11 | C12 | 121.3° | 85.0° |
| C14 | C13 | H15 | H16 | 116.1° | 119.9° |
| C13 | C14 | H17 | H18 | 119.3° | 120.0° |
| C13 | C14 | C15 | H19 | 180.0° | 60.0° |
| C13 | C14 | C15 | H20 | 60.0° | 180.0° |
| C13 | C14 | C15 | H21 | 60.0° | 60.0° |
| C13 | C11 | C10 | C12 | 178.8° | 180.0° |
| C13 | C11 | C10 | C9 | 178.2° | 174.3° |
| C13 | C11 | C10 | H11 | 1.8° | 5.7° |
| C13 | C11 | C12 | H12 | 180.0° | 95.5° |
| C13 | C11 | C12 | H13 | 60.0° | 24.6° |
| C13 | C11 | C12 | H14 | 60.0° | 144.6° |
| C11 | C13 | H15 | H16 | 116.1° | 120.1° |
| C11 | C13 | C14 | H17 | 103.4° | 60.0° |
| C11 | C13 | C14 | H18 | 16.1° | 60.0° |
| O2 | C7 | C2 | C3 | 180.0° | 180.0° |
| O2 | C7 | C2 | C1 | 0.6° | 0.0° |
| C7 | C2 | C3 | C1 | 179.5° | 179.9° |
| C7 | C2 | C3 | C9 | 179.4° | 179.7° |
| C7 | C2 | C1 | H1 | 180.0° | 0.1° |
| C7 | C2 | C1 | H2 | 60.0° | 120.0° |
| C7 | C2 | C1 | H3 | 60.0° | 120.0° |
| C11 | C10 | C9 | C3 | 89.4° | 125.2° |
| C11 | C10 | C9 | H11 | 180.0° | 179.9° |
| C11 | C10 | C9 | H9 | 150.5° | 5.2° |
| C11 | C10 | C9 | H10 | 30.6° | 114.8° |
| C10 | C11 | C12 | H12 | 1.2° | 84.6° |
| C10 | C11 | C12 | H13 | 118.8° | 155.4° |
| C10 | C11 | C12 | H14 | 121.2° | 35.4° |
| C10 | C11 | C13 | H15 | 61.3° | 145.1° |
| C10 | C11 | C13 | H16 | 178.8° | 25.0° |
| C12 | C11 | C10 | C9 | 0.6° | 5.8° |
| C12 | C11 | C10 | H11 | 179.4° | 174.3° |
| C11 | C12 | H12 | H13 | 120.0° | 120.0° |
| C11 | C12 | H12 | H14 | 120.0° | 120.0° |
| C11 | C12 | H13 | H14 | 120.0° | 120.0° |
| C12 | C11 | C13 | H15 | 117.5° | 35.0° |
| C12 | C11 | C13 | H16 | 0.0° | 155.1° |
| C2 | C3 | C9 | C10 | 137.6° | 95.3° |
| C3 | C2 | C1 | H1 | 0.6° | 180.0° |
| C3 | C2 | C1 | H2 | 120.6° | 60.0° |
| C3 | C2 | C1 | H3 | 119.5° | 60.0° |
| C2 | C3 | C9 | H9 | 102.4° | 144.8° |
| C2 | C3 | C9 | H10 | 17.5° | 24.7° |
| C3 | C9 | C10 | H9 | 120.0° | 120.0° |
| C3 | C9 | C10 | H10 | 120.0° | 120.0° |
| C9 | C3 | C2 | C1 | 0.0° | 0.3° |
| C3 | C9 | H9 | H10 | 119.9° | 120.0° |
| C3 | C9 | C10 | H11 | 90.5° | 54.9° |
| C10 | C9 | H9 | H10 | 119.9° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H6 | C8 | H7 | H8 | 119.9° | 120.1° |
| H9 | C9 | C10 | H11 | 29.5° | 174.9° |
| H10 | C9 | C10 | H11 | 149.4° | 65.1° |
| H12 | C12 | H13 | H14 | 120.0° | 120.0° |
| H15 | C13 | C14 | H17 | 135.3° | 179.9° |
| H15 | C13 | C14 | H18 | 105.2° | 60.0° |
| H16 | C13 | C14 | H17 | 17.8° | 60.0° |
| H16 | C13 | C14 | H18 | 137.3° | 179.9° |
| H17 | C14 | C15 | H19 | 59.7° | 60.0° |
| H17 | C14 | C15 | H20 | 60.2° | 60.0° |
| H17 | C14 | C15 | H21 | 179.7° | 180.0° |
| H18 | C14 | C15 | H19 | 59.8° | 180.0° |
| H18 | C14 | C15 | H20 | 179.8° | 60.0° |
| H18 | C14 | C15 | H21 | 60.2° | 60.0° |
| H19 | C15 | H20 | H21 | 120.0° | 120.1° |
