E7Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C18 | sing | 1.74Å | 1.74Å | |
| C20 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| O23 | C22 | doub | 1.21Å | 1.22Å | |
| C01 | C02 | sing | 1.53Å | 1.47Å | |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | N14 | sing | 1.40Å | 1.44Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C05 | C06 | sing | 1.51Å | 1.51Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C22 | N14 | sing | 1.34Å | 1.40Å | |
| C22 | C10 | sing | 1.51Å | 1.51Å | |
| N14 | C12 | sing | 1.34Å | 1.40Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C06 | O07 | doub | 1.21Å | 1.23Å | |
| C06 | N08 | sing | 1.35Å | 1.35Å | |
| C10 | N08 | sing | 1.46Å | 1.49Å | |
| C10 | C11 | sing | 1.54Å | 1.55Å | |
| N08 | O09 | sing | 1.42Å | 1.40Å | |
| C12 | O13 | doub | 1.21Å | 1.22Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| O09 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C18 | C20 | 119.3° | 120.0° |
| CL | C18 | C17 | 119.3° | 119.9° |
| C18 | C20 | C21 | 119.2° | 120.1° |
| C20 | C18 | C17 | 121.4° | 120.1° |
| C18 | C20 | H17 | 120.4° | 119.9° |
| C20 | C21 | C15 | 120.3° | 120.0° |
| C21 | C20 | H17 | 120.4° | 120.0° |
| C20 | C21 | H18 | 119.8° | 120.1° |
| C18 | C17 | C16 | 119.2° | 120.0° |
| C18 | C17 | H16 | 120.4° | 120.0° |
| C21 | C15 | C16 | 119.5° | 119.9° |
| C21 | C15 | N14 | 120.0° | 120.1° |
| C15 | C21 | H18 | 119.9° | 120.0° |
| C17 | C16 | C15 | 120.2° | 120.0° |
| C17 | C16 | H15 | 119.9° | 120.0° |
| C16 | C17 | H16 | 120.4° | 120.0° |
| O23 | C22 | N14 | 125.3° | 125.4° |
| O23 | C22 | C10 | 128.0° | 125.4° |
| C01 | C02 | C03 | 113.5° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.5° | 109.5° |
| C01 | C02 | H5 | 108.4° | 109.4° |
| C16 | C15 | N14 | 120.4° | 120.1° |
| C15 | C16 | H15 | 119.9° | 120.1° |
| C15 | N14 | C22 | 123.6° | 122.8° |
| C15 | N14 | C12 | 124.2° | 122.8° |
| C04 | C05 | C06 | 113.2° | 109.5° |
| C05 | C04 | C03 | 112.4° | 109.5° |
| C05 | C04 | H8 | 108.8° | 109.4° |
| C05 | C04 | H9 | 108.7° | 109.5° |
| C04 | C05 | H10 | 108.5° | 109.5° |
| C04 | C05 | H11 | 108.5° | 109.5° |
| C05 | C06 | O07 | 121.5° | 120.0° |
| C05 | C06 | N08 | 117.6° | 120.0° |
| C06 | C05 | H10 | 108.5° | 109.4° |
| C06 | C05 | H11 | 108.5° | 109.5° |
| C04 | C03 | C02 | 115.9° | 109.5° |
| C04 | C03 | H6 | 107.9° | 109.5° |
| C04 | C03 | H7 | 107.8° | 109.5° |
| C03 | C04 | H8 | 108.7° | 109.5° |
| C03 | C04 | H9 | 108.7° | 109.4° |
| N14 | C22 | C10 | 106.7° | 109.2° |
| C22 | N14 | C12 | 112.0° | 114.5° |
| C22 | C10 | N08 | 121.5° | 110.6° |
| C22 | C10 | C11 | 103.6° | 103.6° |
| C22 | C10 | H12 | 105.8° | 110.8° |
| N14 | C12 | O13 | 124.5° | 125.4° |
| N14 | C12 | C11 | 108.1° | 109.2° |
| C03 | C02 | H4 | 108.4° | 109.4° |
| C03 | C02 | H5 | 108.5° | 109.4° |
| C02 | C03 | H6 | 107.9° | 109.5° |
| C02 | C03 | H7 | 107.8° | 109.4° |
| O07 | C06 | N08 | 120.9° | 120.0° |
| C06 | N08 | C10 | 124.5° | 120.0° |
| C06 | N08 | O09 | 112.8° | 120.0° |
| N08 | C10 | C11 | 113.3° | 110.6° |
| C10 | N08 | O09 | 112.2° | 120.0° |
| N08 | C10 | H12 | 106.1° | 110.5° |
| C10 | C11 | C12 | 102.0° | 103.5° |
| C11 | C10 | H12 | 105.4° | 110.6° |
| C10 | C11 | H13 | 111.3° | 110.6° |
| C10 | C11 | H14 | 111.3° | 110.6° |
| N08 | O09 | H19 | 109.5° | 114.1° |
| O13 | C12 | C11 | 127.3° | 125.4° |
| C12 | C11 | H13 | 111.3° | 110.6° |
| C12 | C11 | H14 | 111.3° | 110.7° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.4° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C18 | C20 | C17 | 178.1° | 180.0° |
| CL | C18 | C20 | C21 | 177.0° | 179.7° |
| CL | C18 | C17 | C16 | 176.6° | 180.0° |
| CL | C18 | C17 | H16 | 3.3° | 0.1° |
| CL | C18 | C20 | H17 | 3.0° | 0.1° |
| C18 | C20 | C21 | H17 | 180.0° | 179.7° |
| C18 | C20 | C21 | C15 | 0.5° | 0.6° |
| C20 | C18 | C17 | C16 | 1.4° | 0.0° |
| C20 | C18 | C17 | H16 | 178.6° | 179.9° |
| C18 | C20 | C21 | H18 | 179.5° | 180.0° |
| C21 | C20 | C18 | C17 | 1.1° | 0.3° |
| C20 | C21 | C15 | H18 | 180.0° | 179.4° |
| C20 | C21 | C15 | C16 | 1.7° | 0.6° |
| C20 | C21 | C15 | N14 | 175.0° | 179.7° |
| C18 | C17 | C16 | H16 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C18 | C17 | C16 | H15 | 179.8° | 179.9° |
| C17 | C18 | C20 | H17 | 178.9° | 180.0° |
| C21 | C15 | C16 | C17 | 1.4° | 0.3° |
| C21 | C15 | C16 | N14 | 176.7° | 179.7° |
| C21 | C15 | N14 | C22 | 37.0° | 113.0° |
| C21 | C15 | N14 | C12 | 148.9° | 67.0° |
| C21 | C15 | C16 | H15 | 178.6° | 179.7° |
| C15 | C21 | C20 | H17 | 179.5° | 179.7° |
| C17 | C16 | C15 | H15 | 180.0° | 180.0° |
| C17 | C16 | C15 | N14 | 175.3° | 180.0° |
| O23 | C22 | N14 | C15 | 14.5° | 0.0° |
| O23 | C22 | N14 | C10 | 178.6° | 180.0° |
| O23 | C22 | N14 | C12 | 170.7° | 180.0° |
| O23 | C22 | C10 | N08 | 28.9° | 61.5° |
| O23 | C22 | C10 | C11 | 157.6° | 180.0° |
| O23 | C22 | C10 | H12 | 91.8° | 61.4° |
| C01 | C02 | C03 | C04 | 59.2° | 180.0° |
| C01 | C02 | C03 | H4 | 120.6° | 120.1° |
| C01 | C02 | C03 | H5 | 120.6° | 120.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.2° | 120.0° |
| C01 | C02 | C03 | H6 | 61.7° | 59.9° |
| C01 | C02 | C03 | H7 | 179.9° | 60.0° |
| C16 | C15 | N14 | C22 | 139.7° | 67.3° |
| C16 | C15 | N14 | C12 | 34.5° | 112.7° |
| C15 | C16 | C17 | H16 | 179.8° | 179.9° |
| C16 | C15 | C21 | H18 | 178.3° | 180.0° |
| C15 | N14 | C22 | C12 | 174.8° | 180.0° |
| C15 | N14 | C22 | C10 | 164.0° | 180.0° |
| C15 | N14 | C12 | O13 | 5.9° | 0.0° |
| C15 | N14 | C12 | C11 | 177.6° | 180.0° |
| N14 | C15 | C16 | H15 | 4.7° | 0.0° |
| N14 | C15 | C21 | H18 | 5.0° | 0.3° |
| C04 | C05 | C06 | H10 | 120.6° | 120.0° |
| C04 | C05 | C06 | H11 | 120.6° | 120.0° |
| C05 | C04 | C03 | H8 | 120.4° | 120.0° |
| C05 | C04 | C03 | H9 | 120.4° | 120.0° |
| C05 | C04 | C03 | C02 | 44.9° | 180.0° |
| C04 | C05 | C06 | O07 | 106.3° | 0.0° |
| C04 | C05 | C06 | N08 | 72.3° | 180.0° |
| C05 | C04 | C03 | H6 | 165.8° | 60.0° |
| C05 | C04 | C03 | H7 | 76.1° | 60.0° |
| C05 | C04 | H8 | H9 | 118.7° | 120.1° |
| C04 | C05 | H10 | H11 | 118.3° | 120.0° |
| C06 | C05 | C04 | C03 | 45.4° | 180.0° |
| C05 | C06 | O07 | N08 | 178.5° | 179.9° |
| C05 | C06 | N08 | C10 | 88.0° | 180.0° |
| C05 | C06 | N08 | O09 | 130.2° | 0.1° |
| C06 | C05 | C04 | H8 | 165.8° | 60.0° |
| C06 | C05 | C04 | H9 | 75.0° | 60.0° |
| C06 | C05 | H10 | H11 | 118.3° | 120.0° |
| C04 | C03 | C02 | H6 | 120.9° | 120.0° |
| C04 | C03 | C02 | H7 | 120.9° | 120.0° |
| C04 | C03 | C02 | H4 | 61.4° | 60.0° |
| C04 | C03 | C02 | H5 | 179.8° | 60.0° |
| C04 | C03 | H6 | H7 | 117.1° | 120.0° |
| C03 | C04 | H8 | H9 | 118.7° | 120.0° |
| C03 | C04 | C05 | H10 | 166.0° | 60.0° |
| C03 | C04 | C05 | H11 | 75.1° | 60.0° |
| N14 | C22 | C10 | N08 | 152.6° | 118.5° |
| N14 | C22 | C10 | C11 | 23.9° | 0.0° |
| C22 | N14 | C12 | O13 | 168.9° | 180.0° |
| C22 | N14 | C12 | C11 | 7.6° | 0.0° |
| N14 | C22 | C10 | H12 | 86.7° | 118.6° |
| C10 | C22 | N14 | C12 | 10.8° | 0.0° |
| C22 | C10 | N08 | C06 | 54.3° | 54.1° |
| C22 | C10 | N08 | C11 | 124.3° | 114.2° |
| C22 | C10 | N08 | H12 | 120.5° | 123.1° |
| C22 | C10 | C11 | H12 | 110.9° | 118.7° |
| C22 | C10 | N08 | O09 | 163.7° | 125.9° |
| C22 | C10 | C11 | C12 | 27.1° | 0.0° |
| C22 | C10 | C11 | H13 | 145.9° | 118.5° |
| C22 | C10 | C11 | H14 | 91.7° | 118.6° |
| N14 | C12 | C11 | C10 | 21.9° | 0.0° |
| N14 | C12 | O13 | C11 | 175.8° | 180.0° |
| N14 | C12 | C11 | H13 | 140.6° | 118.5° |
| N14 | C12 | C11 | H14 | 96.9° | 118.5° |
| C03 | C02 | C01 | H1 | 180.0° | 180.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 118.2° | 119.9° |
| C02 | C03 | H6 | H7 | 117.1° | 120.0° |
| C02 | C03 | C04 | H8 | 75.6° | 60.0° |
| C02 | C03 | C04 | H9 | 165.3° | 60.0° |
| O07 | C06 | N08 | C10 | 93.4° | 0.1° |
| O07 | C06 | N08 | O09 | 48.4° | 180.0° |
| O07 | C06 | C05 | H10 | 133.2° | 120.0° |
| O07 | C06 | C05 | H11 | 14.3° | 120.0° |
| C06 | N08 | C10 | O09 | 142.0° | 179.9° |
| C06 | N08 | C10 | C11 | 178.6° | 60.1° |
| N08 | C06 | C05 | H10 | 48.3° | 60.0° |
| N08 | C06 | C05 | H11 | 167.1° | 60.0° |
| C06 | N08 | C10 | H12 | 66.3° | 177.1° |
| C06 | N08 | O09 | H19 | 20.6° | 179.9° |
| N08 | C10 | C11 | H12 | 115.6° | 122.8° |
| N08 | C10 | C11 | C12 | 160.7° | 118.5° |
| N08 | C10 | C11 | H13 | 80.6° | 123.0° |
| N08 | C10 | C11 | H14 | 41.9° | 0.1° |
| C10 | N08 | O09 | H19 | 126.1° | 0.0° |
| C11 | C10 | N08 | O09 | 39.4° | 120.0° |
| C10 | C11 | C12 | O13 | 154.5° | 180.0° |
| C10 | C11 | C12 | H13 | 118.8° | 118.5° |
| C10 | C11 | C12 | H14 | 118.8° | 118.5° |
| C10 | C11 | H13 | H14 | 123.5° | 122.8° |
| O09 | N08 | C10 | H12 | 75.8° | 2.8° |
| O13 | C12 | C11 | H13 | 35.7° | 61.5° |
| O13 | C12 | C11 | H14 | 86.7° | 61.5° |
| C12 | C11 | C10 | H12 | 83.8° | 118.7° |
| C12 | C11 | H13 | H14 | 123.5° | 123.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.4° | 60.0° |
| H1 | C01 | C02 | H5 | 59.4° | 60.0° |
| H2 | C01 | C02 | H4 | 60.6° | 60.0° |
| H2 | C01 | C02 | H5 | 179.4° | 180.0° |
| H3 | C01 | C02 | H4 | 179.5° | 179.9° |
| H3 | C01 | C02 | H5 | 60.6° | 60.0° |
| H4 | C02 | C03 | H6 | 177.7° | 180.0° |
| H4 | C02 | C03 | H7 | 59.5° | 60.0° |
| H5 | C02 | C03 | H6 | 58.9° | 60.0° |
| H5 | C02 | C03 | H7 | 59.3° | 180.0° |
| H6 | C03 | C04 | H8 | 45.4° | 179.9° |
| H6 | C03 | C04 | H9 | 73.8° | 60.0° |
| H7 | C03 | C04 | H8 | 163.5° | 60.0° |
| H7 | C03 | C04 | H9 | 44.4° | 180.0° |
| H8 | C04 | C05 | H10 | 73.6° | 180.0° |
| H8 | C04 | C05 | H11 | 45.3° | 60.0° |
| H9 | C04 | C05 | H10 | 45.6° | 59.9° |
| H9 | C04 | C05 | H11 | 164.4° | 180.0° |
| H12 | C10 | C11 | H13 | 35.0° | 0.2° |
| H12 | C10 | C11 | H14 | 157.4° | 122.7° |
| H15 | C16 | C17 | H16 | 0.2° | 0.1° |
| H17 | C20 | C21 | H18 | 0.4° | 0.2° |
