RQP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | C06 | doub | 1.21Å | 1.22Å | |
| C03 | O02 | sing | 1.43Å | 1.43Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| O02 | C01 | sing | 1.43Å | 1.38Å | |
| C06 | N08 | sing | 1.35Å | 1.49Å | |
| C06 | N05 | sing | 1.34Å | 1.46Å | |
| C16 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| F18 | C17 | sing | 1.35Å | 1.38Å | |
| C04 | N05 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| N08 | C09 | sing | 1.47Å | 1.40Å | |
| N05 | C21 | sing | 1.35Å | 1.48Å | |
| C14 | C13 | sing | 1.51Å | 1.58Å | |
| C14 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C21 | sing | 1.52Å | 1.45Å | |
| C09 | C13 | sing | 1.53Å | 1.48Å | |
| C09 | C10 | sing | 1.53Å | 1.62Å | |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | O22 | doub | 1.21Å | 1.18Å | |
| C11 | C10 | sing | 1.53Å | 1.46Å | |
| C11 | O12 | sing | 1.43Å | 1.45Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| N08 | H18 | sing | 0.97Å | 1.00Å | |
| O12 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C06 | N08 | 126.3° | 123.8° |
| O07 | C06 | N05 | 124.7° | 123.8° |
| O02 | C03 | C04 | 108.8° | 109.4° |
| C03 | O02 | C01 | 113.5° | 114.0° |
| O02 | C03 | H10 | 109.7° | 109.5° |
| O02 | C03 | H11 | 109.6° | 109.5° |
| C03 | C04 | N05 | 108.2° | 109.5° |
| C04 | C03 | H10 | 109.6° | 109.5° |
| C04 | C03 | H11 | 109.6° | 109.5° |
| C03 | C04 | H12 | 109.8° | 109.5° |
| C03 | C04 | H13 | 109.8° | 109.5° |
| O02 | C01 | H7 | 109.5° | 109.5° |
| O02 | C01 | H8 | 109.4° | 109.5° |
| O02 | C01 | H9 | 109.5° | 109.5° |
| N08 | C06 | N05 | 109.0° | 112.4° |
| C06 | N08 | C09 | 103.2° | 106.7° |
| C06 | N08 | H18 | 128.4° | 126.6° |
| C06 | N05 | C04 | 123.5° | 124.1° |
| C06 | N05 | C21 | 108.7° | 111.7° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C16 | C15 | C14 | 120.9° | 120.0° |
| C16 | C15 | H5 | 119.5° | 120.0° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | F18 | 121.4° | 120.0° |
| C16 | C17 | C19 | 119.3° | 120.0° |
| C17 | C16 | H16 | 120.1° | 120.1° |
| F18 | C17 | C19 | 119.3° | 120.0° |
| C04 | N05 | C21 | 127.8° | 124.2° |
| N05 | C04 | H12 | 109.8° | 109.5° |
| N05 | C04 | H13 | 109.8° | 109.5° |
| C15 | C14 | C13 | 121.9° | 120.0° |
| C15 | C14 | C20 | 118.5° | 120.1° |
| C14 | C15 | H5 | 119.6° | 120.0° |
| C17 | C19 | C20 | 120.8° | 120.0° |
| C17 | C19 | H17 | 119.6° | 120.0° |
| N08 | C09 | C21 | 115.9° | 103.6° |
| N08 | C09 | C13 | 116.4° | 110.6° |
| N08 | C09 | C10 | 104.7° | 110.8° |
| C09 | N08 | H18 | 128.4° | 126.7° |
| N05 | C21 | C09 | 102.6° | 105.7° |
| N05 | C21 | O22 | 128.9° | 127.1° |
| C13 | C14 | C20 | 119.6° | 120.0° |
| C14 | C13 | C09 | 102.3° | 109.5° |
| C14 | C13 | H3 | 111.3° | 109.4° |
| C14 | C13 | H4 | 111.2° | 109.5° |
| C14 | C20 | C19 | 120.5° | 120.0° |
| C14 | C20 | H6 | 119.7° | 120.0° |
| C21 | C09 | C13 | 114.5° | 110.6° |
| C21 | C09 | C10 | 103.9° | 110.6° |
| C09 | C21 | O22 | 128.2° | 127.2° |
| C13 | C09 | C10 | 98.2° | 110.5° |
| C09 | C13 | H3 | 111.2° | 109.5° |
| C09 | C13 | H4 | 111.3° | 109.5° |
| C09 | C10 | C11 | 118.3° | 109.5° |
| C09 | C10 | H1 | 107.2° | 109.4° |
| C09 | C10 | H2 | 107.2° | 109.5° |
| C19 | C20 | H6 | 119.7° | 120.0° |
| C20 | C19 | H17 | 119.6° | 120.0° |
| C10 | C11 | O12 | 109.2° | 109.5° |
| C11 | C10 | H1 | 107.2° | 109.5° |
| C11 | C10 | H2 | 107.2° | 109.5° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C10 | C11 | H15 | 109.5° | 109.4° |
| O12 | C11 | H14 | 109.6° | 109.5° |
| O12 | C11 | H15 | 109.5° | 109.5° |
| C11 | O12 | H19 | 109.5° | 113.9° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.4° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H10 | C03 | H11 | 109.5° | 109.5° |
| H12 | C04 | H13 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C06 | N08 | N05 | 178.8° | 180.0° |
| O07 | C06 | N05 | C04 | 0.2° | 0.1° |
| O07 | C06 | N08 | C09 | 176.6° | 180.0° |
| O07 | C06 | N05 | C21 | 179.4° | 179.8° |
| O07 | C06 | N08 | H18 | 3.4° | 0.0° |
| O02 | C03 | C04 | H10 | 119.9° | 120.0° |
| O02 | C03 | C04 | H11 | 119.9° | 120.0° |
| O02 | C03 | C04 | N05 | 109.5° | 65.0° |
| C03 | O02 | C01 | H7 | 180.0° | 180.0° |
| C03 | O02 | C01 | H8 | 60.0° | 60.0° |
| C03 | O02 | C01 | H9 | 60.0° | 60.0° |
| O02 | C03 | H10 | H11 | 120.3° | 120.0° |
| O02 | C03 | C04 | H12 | 10.3° | 175.0° |
| O02 | C03 | C04 | H13 | 130.7° | 55.0° |
| C04 | C03 | O02 | C01 | 66.3° | 180.0° |
| C03 | C04 | N05 | C06 | 53.4° | 90.1° |
| C03 | C04 | N05 | H12 | 119.8° | 120.0° |
| C03 | C04 | N05 | H13 | 119.8° | 120.0° |
| C03 | C04 | N05 | C21 | 127.5° | 90.1° |
| C04 | C03 | H10 | H11 | 120.3° | 120.0° |
| C03 | C04 | H12 | H13 | 120.6° | 120.0° |
| O02 | C01 | H7 | H8 | 120.0° | 120.1° |
| O02 | C01 | H7 | H9 | 120.0° | 120.0° |
| O02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | O02 | C03 | H10 | 173.8° | 60.0° |
| C01 | O02 | C03 | H11 | 53.6° | 60.1° |
| N08 | C06 | N05 | C04 | 178.6° | 179.9° |
| C06 | N08 | C09 | H18 | 180.0° | 180.0° |
| N08 | C06 | N05 | C21 | 0.6° | 0.2° |
| C06 | N08 | C09 | C21 | 7.5° | 0.2° |
| C06 | N08 | C09 | C13 | 131.6° | 118.7° |
| C06 | N08 | C09 | C10 | 121.3° | 118.4° |
| C06 | N05 | C04 | C21 | 179.1° | 179.9° |
| N05 | C06 | N08 | C09 | 4.6° | 0.0° |
| C06 | N05 | C21 | C09 | 3.5° | 0.3° |
| C06 | N05 | C21 | O22 | 178.5° | 180.0° |
| C06 | N05 | C04 | H12 | 173.2° | 30.0° |
| C06 | N05 | C04 | H13 | 66.3° | 149.9° |
| N05 | C06 | N08 | H18 | 175.4° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | F18 | 179.5° | 179.8° |
| C16 | C15 | C14 | H5 | 180.0° | 179.7° |
| C15 | C16 | C17 | C19 | 1.1° | 0.0° |
| C16 | C15 | C14 | C13 | 179.0° | 179.7° |
| C16 | C15 | C14 | C20 | 1.1° | 0.3° |
| C16 | C17 | F18 | C19 | 178.4° | 179.7° |
| C17 | C16 | C15 | C14 | 0.0° | 0.1° |
| C16 | C17 | C19 | C20 | 1.0° | 0.3° |
| C17 | C16 | C15 | H5 | 179.9° | 179.7° |
| C16 | C17 | C19 | H17 | 179.0° | 180.0° |
| F18 | C17 | C19 | C20 | 179.5° | 180.0° |
| F18 | C17 | C16 | H16 | 0.5° | 0.2° |
| F18 | C17 | C19 | H17 | 0.5° | 0.2° |
| C04 | N05 | C21 | C09 | 177.3° | 179.8° |
| C04 | N05 | C21 | O22 | 2.3° | 0.1° |
| N05 | C04 | C03 | H10 | 130.6° | 175.0° |
| N05 | C04 | C03 | H11 | 10.4° | 55.0° |
| N05 | C04 | H12 | H13 | 120.6° | 120.0° |
| C15 | C14 | C13 | C20 | 177.9° | 180.0° |
| C15 | C14 | C13 | C09 | 71.7° | 90.0° |
| C15 | C14 | C20 | C19 | 1.1° | 0.6° |
| C15 | C14 | C13 | H3 | 47.1° | 30.0° |
| C15 | C14 | C13 | H4 | 169.5° | 150.0° |
| C15 | C14 | C20 | H6 | 178.9° | 180.0° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C17 | C19 | C20 | C14 | 0.1° | 0.5° |
| C17 | C19 | C20 | H17 | 180.0° | 179.8° |
| C17 | C19 | C20 | H6 | 179.9° | 180.0° |
| C19 | C17 | C16 | H16 | 178.9° | 180.0° |
| N08 | C09 | C21 | N05 | 7.1° | 0.3° |
| N08 | C09 | C13 | C14 | 82.2° | 54.9° |
| N08 | C09 | C21 | C13 | 139.8° | 118.5° |
| N08 | C09 | C21 | C10 | 114.2° | 118.7° |
| N08 | C09 | C13 | C10 | 110.9° | 123.0° |
| N08 | C09 | C21 | O22 | 177.8° | 180.0° |
| N08 | C09 | C10 | C11 | 43.1° | 50.0° |
| N08 | C09 | C10 | H1 | 78.1° | 70.1° |
| N08 | C09 | C10 | H2 | 164.3° | 170.0° |
| N08 | C09 | C13 | H3 | 36.7° | 174.9° |
| N08 | C09 | C13 | H4 | 159.0° | 65.1° |
| N05 | C21 | C09 | O22 | 175.1° | 179.7° |
| N05 | C21 | C09 | C13 | 132.7° | 118.8° |
| N05 | C21 | C09 | C10 | 121.3° | 118.4° |
| C21 | N05 | C04 | H12 | 7.7° | 149.9° |
| C21 | N05 | C04 | H13 | 112.7° | 30.0° |
| C14 | C13 | C09 | C21 | 57.4° | 59.3° |
| C14 | C13 | C09 | H3 | 118.9° | 120.0° |
| C14 | C13 | C09 | H4 | 118.8° | 120.0° |
| C14 | C13 | C09 | C10 | 166.9° | 177.9° |
| C13 | C14 | C20 | C19 | 179.1° | 179.5° |
| C14 | C13 | H3 | H4 | 123.3° | 119.9° |
| C13 | C14 | C15 | H5 | 1.0° | 0.1° |
| C13 | C14 | C20 | H6 | 0.9° | 0.0° |
| C20 | C14 | C13 | C09 | 106.2° | 90.0° |
| C14 | C20 | C19 | H6 | 180.0° | 179.5° |
| C20 | C14 | C13 | H3 | 134.9° | 149.9° |
| C20 | C14 | C13 | H4 | 12.6° | 30.0° |
| C20 | C14 | C15 | H5 | 179.0° | 180.0° |
| C14 | C20 | C19 | H17 | 179.9° | 179.7° |
| C21 | C09 | C13 | C10 | 109.5° | 122.8° |
| C21 | C09 | C10 | C11 | 78.9° | 64.3° |
| C21 | C09 | C10 | H1 | 159.8° | 175.7° |
| C21 | C09 | C10 | H2 | 42.3° | 55.7° |
| C21 | C09 | C13 | H3 | 176.3° | 60.7° |
| C21 | C09 | C13 | H4 | 61.4° | 179.3° |
| C21 | C09 | N08 | H18 | 172.5° | 179.8° |
| C13 | C09 | C21 | O22 | 42.4° | 61.5° |
| C13 | C09 | C10 | C11 | 163.2° | 172.9° |
| C13 | C09 | C10 | H1 | 42.0° | 52.9° |
| C13 | C09 | C10 | H2 | 75.5° | 67.1° |
| C09 | C13 | H3 | H4 | 123.3° | 120.0° |
| C13 | C09 | N08 | H18 | 48.4° | 61.3° |
| C10 | C09 | C21 | O22 | 63.6° | 61.3° |
| C09 | C10 | C11 | H1 | 121.2° | 120.0° |
| C09 | C10 | C11 | H2 | 121.2° | 120.0° |
| C09 | C10 | C11 | O12 | 92.8° | 180.0° |
| C09 | C10 | H1 | H2 | 116.0° | 120.0° |
| C10 | C09 | C13 | H3 | 74.2° | 62.1° |
| C10 | C09 | C13 | H4 | 48.1° | 57.9° |
| C09 | C10 | C11 | H14 | 27.2° | 60.0° |
| C09 | C10 | C11 | H15 | 147.3° | 60.0° |
| C10 | C09 | N08 | H18 | 58.7° | 61.6° |
| C10 | C11 | O12 | H14 | 120.0° | 120.0° |
| C10 | C11 | O12 | H15 | 120.0° | 120.0° |
| C11 | C10 | H1 | H2 | 116.0° | 120.0° |
| C10 | C11 | H14 | H15 | 120.1° | 119.9° |
| C10 | C11 | O12 | H19 | 180.0° | 180.0° |
| O12 | C11 | C10 | H1 | 146.0° | 60.0° |
| O12 | C11 | C10 | H2 | 28.5° | 60.0° |
| O12 | C11 | H14 | H15 | 120.1° | 120.1° |
| H1 | C10 | C11 | H14 | 94.0° | 180.0° |
| H1 | C10 | C11 | H15 | 26.1° | 60.0° |
| H2 | C10 | C11 | H14 | 148.5° | 60.0° |
| H2 | C10 | C11 | H15 | 91.5° | 180.0° |
| H5 | C15 | C16 | H16 | 0.1° | 0.3° |
| H6 | C20 | C19 | H17 | 0.1° | 0.2° |
| H7 | C01 | H8 | H9 | 120.0° | 119.9° |
| H10 | C03 | C04 | H12 | 109.6° | 55.0° |
| H10 | C03 | C04 | H13 | 10.8° | 65.0° |
| H11 | C03 | C04 | H12 | 130.2° | 65.0° |
| H11 | C03 | C04 | H13 | 109.4° | 175.0° |
| H14 | C11 | O12 | H19 | 60.0° | 60.0° |
| H15 | C11 | O12 | H19 | 60.1° | 60.0° |
