K4Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| O15 | C14 | doub | 1.21Å | 1.19Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | O10 | sing | 1.45Å | 1.40Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.51Å | 1.53Å | |
| C12 | N13 | sing | 1.47Å | 1.46Å | |
| O09 | C08 | doub | 1.21Å | 1.18Å | |
| C07 | C08 | sing | 1.51Å | 1.54Å | |
| C08 | O10 | sing | 1.34Å | 1.40Å | |
| 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 | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| N13 | H20 | sing | 1.01Å | 1.00Å | |
| N13 | H21 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 113.9° | 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 | 108.4° | 109.5° |
| C01 | C02 | H5 | 108.4° | 109.5° |
| O15 | C14 | C12 | 121.1° | 120.0° |
| O15 | C14 | H19 | 119.5° | 120.0° |
| C02 | C03 | C04 | 109.6° | 109.4° |
| C03 | C02 | H4 | 108.4° | 109.5° |
| C03 | C02 | H5 | 108.4° | 109.5° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| C02 | C03 | H7 | 109.4° | 109.4° |
| C03 | C04 | C05 | 115.4° | 109.4° |
| C04 | C03 | H6 | 109.4° | 109.5° |
| C04 | C03 | H7 | 109.5° | 109.5° |
| C03 | C04 | H8 | 108.0° | 109.5° |
| C03 | C04 | H9 | 108.0° | 109.5° |
| C04 | C05 | C06 | 109.5° | 109.4° |
| C05 | C04 | H8 | 108.0° | 109.5° |
| C05 | C04 | H9 | 108.0° | 109.4° |
| C04 | C05 | H10 | 109.5° | 109.5° |
| C04 | C05 | H11 | 109.5° | 109.5° |
| C12 | C11 | O10 | 112.3° | 109.4° |
| C11 | C12 | C14 | 112.3° | 109.5° |
| C11 | C12 | N13 | 110.8° | 109.5° |
| C12 | C11 | H16 | 108.7° | 109.5° |
| C12 | C11 | H17 | 108.7° | 109.5° |
| C11 | C12 | H18 | 107.5° | 109.5° |
| C11 | O10 | C08 | 117.5° | 117.0° |
| O10 | C11 | H16 | 108.8° | 109.5° |
| O10 | C11 | H17 | 108.8° | 109.5° |
| C05 | C06 | C07 | 115.9° | 109.4° |
| C06 | C05 | H10 | 109.4° | 109.5° |
| C06 | C05 | H11 | 109.5° | 109.5° |
| C05 | C06 | H12 | 107.8° | 109.5° |
| C05 | C06 | H13 | 107.8° | 109.5° |
| C06 | C07 | C08 | 110.2° | 109.5° |
| C07 | C06 | H12 | 107.8° | 109.4° |
| C07 | C06 | H13 | 107.8° | 109.5° |
| C06 | C07 | H14 | 109.3° | 109.4° |
| C06 | C07 | H15 | 109.3° | 109.5° |
| C14 | C12 | N13 | 109.9° | 109.4° |
| C14 | C12 | H18 | 107.6° | 109.4° |
| C12 | C14 | H19 | 119.5° | 120.0° |
| N13 | C12 | H18 | 108.6° | 109.5° |
| C12 | N13 | H20 | 109.5° | 111.0° |
| C12 | N13 | H21 | 109.5° | 111.1° |
| O09 | C08 | C07 | 119.1° | 120.0° |
| O09 | C08 | O10 | 117.6° | 120.0° |
| C07 | C08 | O10 | 123.3° | 120.0° |
| C08 | C07 | H14 | 109.3° | 109.4° |
| C08 | C07 | H15 | 109.3° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H4 | C02 | H5 | 109.4° | 109.4° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H12 | C06 | H13 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H20 | N13 | H21 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H4 | 120.7° | 120.0° |
| C01 | C02 | C03 | H5 | 120.7° | 120.0° |
| C01 | C02 | C03 | C04 | 142.6° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.0° | 120.0° |
| C01 | C02 | C03 | H6 | 97.3° | 60.0° |
| C01 | C02 | C03 | H7 | 22.6° | 60.0° |
| O15 | C14 | C12 | C11 | 147.5° | 120.0° |
| O15 | C14 | C12 | H19 | 180.0° | 180.0° |
| O15 | C14 | C12 | N13 | 88.6° | 0.0° |
| O15 | C14 | C12 | H18 | 29.5° | 120.0° |
| C02 | C03 | C04 | H6 | 120.0° | 120.0° |
| C02 | C03 | C04 | H7 | 120.0° | 120.0° |
| C02 | C03 | C04 | C05 | 173.4° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C03 | C02 | H4 | H5 | 118.0° | 120.0° |
| C02 | C03 | H6 | H7 | 119.9° | 120.0° |
| C02 | C03 | C04 | H8 | 65.8° | 60.0° |
| C02 | C03 | C04 | H9 | 52.5° | 60.1° |
| C03 | C04 | C05 | H8 | 120.9° | 120.0° |
| C03 | C04 | C05 | H9 | 120.9° | 120.0° |
| C03 | C04 | C05 | C06 | 166.3° | 180.0° |
| C04 | C03 | C02 | H4 | 22.0° | 59.9° |
| C04 | C03 | C02 | H5 | 96.7° | 60.0° |
| C04 | C03 | H6 | H7 | 120.0° | 120.0° |
| C03 | C04 | H8 | H9 | 117.3° | 120.1° |
| C03 | C04 | C05 | H10 | 73.7° | 60.0° |
| C03 | C04 | C05 | H11 | 46.2° | 60.0° |
| C04 | C05 | C06 | H10 | 120.0° | 120.0° |
| C04 | C05 | C06 | H11 | 120.0° | 119.9° |
| C04 | C05 | C06 | C07 | 178.9° | 180.0° |
| C05 | C04 | C03 | H6 | 53.3° | 60.0° |
| C05 | C04 | C03 | H7 | 66.6° | 60.1° |
| C05 | C04 | H8 | H9 | 117.3° | 120.0° |
| C04 | C05 | H10 | H11 | 120.0° | 120.0° |
| C04 | C05 | C06 | H12 | 60.1° | 60.0° |
| C04 | C05 | C06 | H13 | 58.0° | 60.1° |
| C12 | C11 | O10 | H16 | 120.4° | 120.0° |
| C12 | C11 | O10 | H17 | 120.4° | 120.0° |
| C11 | C12 | C14 | N13 | 123.9° | 120.0° |
| C11 | C12 | C14 | H18 | 118.1° | 120.0° |
| C11 | C12 | N13 | H18 | 117.8° | 120.1° |
| C12 | C11 | O10 | C08 | 141.5° | 180.0° |
| C12 | C11 | H16 | H17 | 118.6° | 120.0° |
| C11 | C12 | C14 | H19 | 32.5° | 60.0° |
| C11 | C12 | N13 | H20 | 180.0° | 176.1° |
| C11 | C12 | N13 | H21 | 60.0° | 59.9° |
| O10 | C11 | C12 | C14 | 41.5° | 175.0° |
| O10 | C11 | C12 | N13 | 81.9° | 65.1° |
| C11 | O10 | C08 | O09 | 113.0° | 0.1° |
| C11 | O10 | C08 | C07 | 68.7° | 180.0° |
| O10 | C11 | H16 | H17 | 118.7° | 120.0° |
| O10 | C11 | C12 | H18 | 159.6° | 55.0° |
| C05 | C06 | C07 | H12 | 120.9° | 120.0° |
| C05 | C06 | C07 | H13 | 120.9° | 120.0° |
| C05 | C06 | C07 | C08 | 166.8° | 179.9° |
| C06 | C05 | C04 | H8 | 45.4° | 60.0° |
| C06 | C05 | C04 | H9 | 72.9° | 60.0° |
| C06 | C05 | H10 | H11 | 120.0° | 120.0° |
| C05 | C06 | H12 | H13 | 117.1° | 120.0° |
| C05 | C06 | C07 | H14 | 46.7° | 60.0° |
| C05 | C06 | C07 | H15 | 73.1° | 60.0° |
| C06 | C07 | C08 | O09 | 12.6° | 0.1° |
| C06 | C07 | C08 | H14 | 120.1° | 120.0° |
| C06 | C07 | C08 | H15 | 120.1° | 120.1° |
| C06 | C07 | C08 | O10 | 165.6° | 180.0° |
| C07 | C06 | C05 | H10 | 58.9° | 60.0° |
| C07 | C06 | C05 | H11 | 61.0° | 60.0° |
| C07 | C06 | H12 | H13 | 117.1° | 120.0° |
| C06 | C07 | H14 | H15 | 119.7° | 120.0° |
| C14 | C12 | N13 | H18 | 117.4° | 120.0° |
| C14 | C12 | C11 | H16 | 78.9° | 65.0° |
| C14 | C12 | C11 | H17 | 161.9° | 55.0° |
| C14 | C12 | N13 | H20 | 55.2° | 64.0° |
| C14 | C12 | N13 | H21 | 64.8° | 60.1° |
| N13 | C12 | C11 | H16 | 157.7° | 54.9° |
| N13 | C12 | C11 | H17 | 38.5° | 175.0° |
| N13 | C12 | C14 | H19 | 91.4° | 180.0° |
| C12 | N13 | H20 | H21 | 120.0° | 124.1° |
| O09 | C08 | C07 | O10 | 178.2° | 179.9° |
| O09 | C08 | C07 | H14 | 132.7° | 120.0° |
| O09 | C08 | C07 | H15 | 107.5° | 120.0° |
| C08 | C07 | C06 | H12 | 72.3° | 60.1° |
| C08 | C07 | C06 | H13 | 45.9° | 60.0° |
| C08 | C07 | H14 | H15 | 119.7° | 120.0° |
| O10 | C08 | C07 | H14 | 45.5° | 60.1° |
| O10 | C08 | C07 | H15 | 74.3° | 59.9° |
| C08 | O10 | C11 | H16 | 21.1° | 60.0° |
| C08 | O10 | C11 | H17 | 98.1° | 60.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.3° | 60.0° |
| H1 | C01 | C02 | H5 | 59.3° | 180.0° |
| H2 | C01 | C02 | H4 | 60.7° | 180.0° |
| H2 | C01 | C02 | H5 | 179.3° | 60.1° |
| H3 | C01 | C02 | H4 | 179.4° | 59.9° |
| H3 | C01 | C02 | H5 | 60.7° | 60.0° |
| H4 | C02 | C03 | H6 | 142.0° | 180.0° |
| H4 | C02 | C03 | H7 | 98.1° | 60.0° |
| H5 | C02 | C03 | H6 | 23.3° | 60.0° |
| H5 | C02 | C03 | H7 | 143.3° | 180.0° |
| H6 | C03 | C04 | H8 | 174.2° | 180.0° |
| H6 | C03 | C04 | H9 | 67.5° | 59.9° |
| H7 | C03 | C04 | H8 | 54.2° | 59.9° |
| H7 | C03 | C04 | H9 | 172.5° | 180.0° |
| H8 | C04 | C05 | H10 | 165.4° | 180.0° |
| H8 | C04 | C05 | H11 | 74.6° | 59.9° |
| H9 | C04 | C05 | H10 | 47.1° | 60.0° |
| H9 | C04 | C05 | H11 | 167.1° | 180.0° |
| H10 | C05 | C06 | H12 | 179.8° | 180.0° |
| H10 | C05 | C06 | H13 | 62.0° | 60.0° |
| H11 | C05 | C06 | H12 | 59.9° | 59.9° |
| H11 | C05 | C06 | H13 | 178.1° | 180.0° |
| H12 | C06 | C07 | H14 | 167.6° | 180.0° |
| H12 | C06 | C07 | H15 | 47.8° | 60.0° |
| H13 | C06 | C07 | H14 | 74.2° | 60.0° |
| H13 | C06 | C07 | H15 | 166.0° | 180.0° |
| H16 | C11 | C12 | H18 | 39.2° | 175.0° |
| H17 | C11 | C12 | H18 | 79.9° | 65.0° |
| H18 | C12 | C14 | H19 | 150.5° | 60.0° |
| H18 | C12 | N13 | H20 | 62.2° | 56.0° |
| H18 | C12 | N13 | H21 | 177.8° | 180.0° |
