KX0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | CL1 | sing | 1.74Å | 1.78Å | |
| C11 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.52Å | |
| C22 | N21 | doub | 1.32Å | 1.32Å | Aromatic |
| C22 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| N21 | C20 | sing | 1.33Å | 1.32Å | Aromatic |
| O26 | C27 | sing | 1.43Å | 1.38Å | |
| O26 | C25 | sing | 1.43Å | 1.38Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | N23 | sing | 1.47Å | 1.46Å | |
| C05 | C13 | sing | 1.47Å | 1.53Å | |
| C05 | N04 | doub | 1.29Å | 1.43Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | N23 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | doub | 1.41Å | 1.37Å | Aromatic |
| C20 | N23 | sing | 1.39Å | 1.43Å | |
| C20 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| N04 | C03 | sing | 1.37Å | 1.46Å | |
| C14 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| C14 | N15 | sing | 1.40Å | 1.48Å | |
| C03 | C02 | doub | 1.36Å | 1.40Å | Aromatic |
| C03 | C16 | sing | 1.42Å | 1.36Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| N15 | C16 | sing | 1.41Å | 1.47Å | |
| C02 | N18 | sing | 1.36Å | 1.31Å | Aromatic |
| C16 | N17 | doub | 1.30Å | 1.36Å | Aromatic |
| N18 | N17 | sing | 1.40Å | 1.37Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.08Å | 1.08Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| N15 | H20 | sing | 0.97Å | 1.00Å | |
| N18 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C09 | C08 | 119.9° | 120.3° |
| C09 | C10 | C11 | 120.3° | 120.1° |
| C09 | C10 | H1 | 119.8° | 119.9° |
| C10 | C09 | H13 | 120.0° | 119.9° |
| C09 | C08 | C07 | 119.5° | 120.2° |
| C09 | C08 | H12 | 120.3° | 119.9° |
| C08 | C09 | H13 | 120.0° | 119.8° |
| C10 | C11 | CL1 | 119.2° | 120.1° |
| C10 | C11 | C06 | 119.7° | 119.9° |
| C11 | C10 | H1 | 119.8° | 120.0° |
| C08 | C07 | C06 | 120.6° | 119.8° |
| C08 | C07 | H11 | 119.7° | 120.1° |
| C07 | C08 | H12 | 120.3° | 119.9° |
| CL1 | C11 | C06 | 121.0° | 120.1° |
| C11 | C06 | C07 | 119.9° | 119.7° |
| C11 | C06 | C05 | 121.5° | 120.1° |
| C07 | C06 | C05 | 118.6° | 120.1° |
| C06 | C07 | H11 | 119.7° | 120.1° |
| C06 | C05 | C13 | 116.7° | 116.4° |
| C06 | C05 | N04 | 121.3° | 116.5° |
| N21 | C22 | C13 | 121.7° | 121.1° |
| C22 | N21 | C20 | 120.9° | 122.3° |
| N21 | C22 | H2 | 119.1° | 119.5° |
| C22 | C13 | C05 | 116.7° | 119.1° |
| C22 | C13 | C14 | 119.1° | 117.9° |
| C13 | C22 | H2 | 119.2° | 119.5° |
| N21 | C20 | N23 | 117.5° | 119.7° |
| N21 | C20 | C19 | 121.2° | 120.6° |
| C27 | O26 | C25 | 111.8° | 113.7° |
| O26 | C27 | C28 | 111.5° | 109.3° |
| O26 | C27 | H17 | 109.0° | 109.6° |
| O26 | C27 | H18 | 109.0° | 109.5° |
| O26 | C25 | C24 | 112.6° | 109.2° |
| O26 | C25 | H15 | 108.7° | 109.5° |
| O26 | C25 | H16 | 108.7° | 109.6° |
| C27 | C28 | N23 | 113.1° | 109.3° |
| C27 | C28 | H5 | 108.5° | 109.5° |
| C27 | C28 | H6 | 108.5° | 109.5° |
| C28 | C27 | H17 | 109.0° | 109.5° |
| C28 | C27 | H18 | 108.9° | 109.5° |
| C28 | N23 | C24 | 106.2° | 110.7° |
| C28 | N23 | C20 | 116.9° | 111.0° |
| N23 | C28 | H5 | 108.6° | 109.5° |
| N23 | C28 | H6 | 108.6° | 109.5° |
| C13 | C05 | N04 | 122.0° | 127.1° |
| C05 | C13 | C14 | 124.2° | 123.0° |
| C05 | N04 | C03 | 130.3° | 124.5° |
| C25 | C24 | N23 | 113.0° | 109.3° |
| C25 | C24 | H3 | 108.6° | 109.5° |
| C25 | C24 | H4 | 108.6° | 109.5° |
| C24 | C25 | H15 | 108.7° | 109.5° |
| C24 | C25 | H16 | 108.7° | 109.5° |
| C24 | N23 | C20 | 117.3° | 111.0° |
| N23 | C24 | H3 | 108.6° | 109.5° |
| N23 | C24 | H4 | 108.6° | 109.5° |
| C13 | C14 | C19 | 117.6° | 119.2° |
| C13 | C14 | N15 | 125.5° | 120.7° |
| N23 | C20 | C19 | 121.3° | 119.7° |
| C20 | C19 | C14 | 119.6° | 119.0° |
| C20 | C19 | H14 | 120.2° | 120.5° |
| N04 | C03 | C02 | 130.0° | 128.1° |
| N04 | C03 | C16 | 123.5° | 124.4° |
| C19 | C14 | N15 | 116.9° | 120.1° |
| C14 | C19 | H14 | 120.2° | 120.5° |
| C14 | N15 | C16 | 133.6° | 116.5° |
| C14 | N15 | H20 | 113.2° | 121.7° |
| C02 | C03 | C16 | 106.5° | 107.4° |
| C03 | C02 | C01 | 125.8° | 126.3° |
| C03 | C02 | N18 | 108.2° | 107.4° |
| C03 | C16 | N15 | 126.5° | 123.7° |
| C03 | C16 | N17 | 108.5° | 108.4° |
| C01 | C02 | N18 | 126.0° | 126.3° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.4° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| N15 | C16 | N17 | 125.0° | 127.9° |
| C16 | N15 | H20 | 113.2° | 121.8° |
| C02 | N18 | N17 | 109.6° | 108.3° |
| C02 | N18 | H10 | 125.2° | 125.9° |
| C16 | N17 | N18 | 107.2° | 108.4° |
| N17 | N18 | H10 | 125.2° | 125.8° |
| H3 | C24 | H4 | 109.4° | 109.5° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.4° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H17 | C27 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C09 | C08 | H13 | 180.0° | 179.9° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C09 | C08 | C07 | 0.0° | 0.5° |
| C09 | C10 | C11 | CL1 | 179.9° | 179.7° |
| C09 | C10 | C11 | C06 | 0.2° | 0.3° |
| C10 | C09 | C08 | H12 | 180.0° | 179.7° |
| C08 | C09 | C10 | C11 | 0.1° | 0.0° |
| C09 | C08 | C07 | H12 | 180.0° | 179.2° |
| C09 | C08 | C07 | C06 | 0.0° | 0.8° |
| C08 | C09 | C10 | H1 | 179.9° | 179.7° |
| C09 | C08 | C07 | H11 | 180.0° | 179.8° |
| C10 | C11 | CL1 | C06 | 179.9° | 180.0° |
| C10 | C11 | C06 | C07 | 0.2° | 0.0° |
| C10 | C11 | C06 | C05 | 179.8° | 180.0° |
| C11 | C10 | C09 | H13 | 179.9° | 180.0° |
| C08 | C07 | C06 | C11 | 0.0° | 0.5° |
| C08 | C07 | C06 | H11 | 180.0° | 179.4° |
| C08 | C07 | C06 | C05 | 179.9° | 179.5° |
| C07 | C08 | C09 | H13 | 180.0° | 179.4° |
| CL1 | C11 | C06 | C07 | 179.9° | 180.0° |
| CL1 | C11 | C06 | C05 | 0.1° | 0.0° |
| CL1 | C11 | C10 | H1 | 0.1° | 0.0° |
| C11 | C06 | C07 | C05 | 180.0° | 180.0° |
| C11 | C06 | C05 | C13 | 154.9° | 65.6° |
| C11 | C06 | C05 | N04 | 25.7° | 114.5° |
| C06 | C11 | C10 | H1 | 179.8° | 180.0° |
| C11 | C06 | C07 | H11 | 179.9° | 179.9° |
| C07 | C06 | C05 | C13 | 25.1° | 114.4° |
| C07 | C06 | C05 | N04 | 154.3° | 65.5° |
| C06 | C07 | C08 | H12 | 179.9° | 180.0° |
| C06 | C05 | C13 | C22 | 34.6° | 40.3° |
| C06 | C05 | C13 | N04 | 179.5° | 179.9° |
| C06 | C05 | C13 | C14 | 146.0° | 139.1° |
| C06 | C05 | N04 | C03 | 128.7° | 175.4° |
| C05 | C06 | C07 | H11 | 0.1° | 0.1° |
| N21 | C22 | C13 | H2 | 180.0° | 180.0° |
| N21 | C22 | C13 | C05 | 179.9° | 178.6° |
| N21 | C22 | C13 | C14 | 0.5° | 0.8° |
| C22 | N21 | C20 | N23 | 179.8° | 179.6° |
| C22 | N21 | C20 | C19 | 0.3° | 0.4° |
| C13 | C22 | N21 | C20 | 0.3° | 0.0° |
| C22 | C13 | C05 | C14 | 179.4° | 179.3° |
| C22 | C13 | C05 | N04 | 146.0° | 139.7° |
| C22 | C13 | C14 | C19 | 0.6° | 1.1° |
| C22 | C13 | C14 | N15 | 179.5° | 178.2° |
| N21 | C20 | N23 | C28 | 46.1° | 123.7° |
| N21 | C20 | N23 | C24 | 81.7° | 0.1° |
| N21 | C20 | N23 | C19 | 179.9° | 179.9° |
| N21 | C20 | C19 | C14 | 0.5° | 0.1° |
| C20 | N21 | C22 | H2 | 179.7° | 180.0° |
| N21 | C20 | C19 | H14 | 179.4° | 180.0° |
| O26 | C27 | C28 | H17 | 120.3° | 120.0° |
| O26 | C27 | C28 | H18 | 120.3° | 120.0° |
| O26 | C27 | C28 | N23 | 57.4° | 56.9° |
| C27 | O26 | C25 | C24 | 54.8° | 58.7° |
| O26 | C27 | C28 | H5 | 63.2° | 63.1° |
| O26 | C27 | C28 | H6 | 177.9° | 176.8° |
| C27 | O26 | C25 | H15 | 65.6° | 178.6° |
| C27 | O26 | C25 | H16 | 175.3° | 61.3° |
| O26 | C27 | H17 | H18 | 119.1° | 120.1° |
| C25 | O26 | C27 | C28 | 55.5° | 58.7° |
| O26 | C25 | C24 | H15 | 120.5° | 119.9° |
| O26 | C25 | C24 | H16 | 120.4° | 120.0° |
| O26 | C25 | C24 | N23 | 55.2° | 56.9° |
| O26 | C25 | C24 | H3 | 175.7° | 176.8° |
| O26 | C25 | C24 | H4 | 65.3° | 63.1° |
| O26 | C25 | H15 | H16 | 118.5° | 120.2° |
| C25 | O26 | C27 | H17 | 175.8° | 61.2° |
| C25 | O26 | C27 | H18 | 64.8° | 178.7° |
| C27 | C28 | N23 | H5 | 120.6° | 120.0° |
| C27 | C28 | N23 | H6 | 120.5° | 120.0° |
| C27 | C28 | N23 | C24 | 54.3° | 58.6° |
| C27 | C28 | N23 | C20 | 172.8° | 177.6° |
| C27 | C28 | H5 | H6 | 118.3° | 120.2° |
| C28 | C27 | H17 | H18 | 119.0° | 120.0° |
| C28 | N23 | C24 | C25 | 52.9° | 58.6° |
| C28 | N23 | C24 | C20 | 132.7° | 123.8° |
| C28 | N23 | C20 | C19 | 133.8° | 56.4° |
| C28 | N23 | C24 | H3 | 173.5° | 178.5° |
| C28 | N23 | C24 | H4 | 67.6° | 61.4° |
| N23 | C28 | H5 | H6 | 118.3° | 120.0° |
| N23 | C28 | C27 | H17 | 177.7° | 63.1° |
| N23 | C28 | C27 | H18 | 62.9° | 176.9° |
| C13 | C05 | N04 | C03 | 50.7° | 4.6° |
| C05 | C13 | C14 | C19 | 180.0° | 178.3° |
| C05 | C13 | C14 | N15 | 1.2° | 2.4° |
| C05 | C13 | C22 | H2 | 0.1° | 1.4° |
| N04 | C05 | C13 | C14 | 33.4° | 41.0° |
| C05 | N04 | C03 | C02 | 153.1° | 146.4° |
| C05 | N04 | C03 | C16 | 26.9° | 36.8° |
| C25 | C24 | N23 | H3 | 120.5° | 119.9° |
| C25 | C24 | N23 | H4 | 120.5° | 120.0° |
| C25 | C24 | N23 | C20 | 174.4° | 177.6° |
| C25 | C24 | H3 | H4 | 118.4° | 120.1° |
| C24 | C25 | H15 | H16 | 118.6° | 120.1° |
| C24 | N23 | C20 | C19 | 98.5° | 180.0° |
| N23 | C24 | H3 | H4 | 118.4° | 120.1° |
| C24 | N23 | C28 | H5 | 66.3° | 61.4° |
| C24 | N23 | C28 | H6 | 174.8° | 178.6° |
| N23 | C24 | C25 | H15 | 65.3° | 176.8° |
| N23 | C24 | C25 | H16 | 175.7° | 63.1° |
| C13 | C14 | C19 | C20 | 0.7° | 0.7° |
| C13 | C14 | C19 | N15 | 178.9° | 179.3° |
| C13 | C14 | N15 | C16 | 18.4° | 56.1° |
| C14 | C13 | C22 | H2 | 179.6° | 179.2° |
| C13 | C14 | C19 | H14 | 179.3° | 179.3° |
| C13 | C14 | N15 | H20 | 161.6° | 123.9° |
| N23 | C20 | C19 | C14 | 179.6° | 180.0° |
| C20 | N23 | C24 | H3 | 53.8° | 57.7° |
| C20 | N23 | C24 | H4 | 65.1° | 62.4° |
| C20 | N23 | C28 | H5 | 66.7° | 62.4° |
| C20 | N23 | C28 | H6 | 52.2° | 57.7° |
| N23 | C20 | C19 | H14 | 0.4° | 0.1° |
| C20 | C19 | C14 | H14 | 180.0° | 179.9° |
| C20 | C19 | C14 | N15 | 179.6° | 178.6° |
| N04 | C03 | C02 | C16 | 180.0° | 177.2° |
| N04 | C03 | C02 | C01 | 0.2° | 4.6° |
| N04 | C03 | C16 | N15 | 0.1° | 7.7° |
| N04 | C03 | C02 | N18 | 179.8° | 175.4° |
| N04 | C03 | C16 | N17 | 179.8° | 175.0° |
| C19 | C14 | N15 | C16 | 162.7° | 123.2° |
| C19 | C14 | N15 | H20 | 17.3° | 56.8° |
| C14 | N15 | C16 | C03 | 5.5° | 54.6° |
| C14 | N15 | C16 | H20 | 180.0° | 180.0° |
| C14 | N15 | C16 | N17 | 174.6° | 122.2° |
| N15 | C14 | C19 | H14 | 0.4° | 1.5° |
| C03 | C02 | C01 | N18 | 180.0° | 179.9° |
| C02 | C03 | C16 | N15 | 179.9° | 175.0° |
| C02 | C03 | C16 | N17 | 0.2° | 2.4° |
| C03 | C02 | N18 | N17 | 0.1° | 0.6° |
| C03 | C02 | C01 | H7 | 90.0° | 90.0° |
| C03 | C02 | C01 | H8 | 150.0° | 30.1° |
| C03 | C02 | C01 | H9 | 30.0° | 150.0° |
| C03 | C02 | N18 | H10 | 179.9° | 179.3° |
| C16 | C03 | C02 | C01 | 179.8° | 178.1° |
| C03 | C16 | N15 | N17 | 179.9° | 176.8° |
| C16 | C03 | C02 | N18 | 0.2° | 1.8° |
| C03 | C16 | N17 | N18 | 0.1° | 2.0° |
| C03 | C16 | N15 | H20 | 174.5° | 125.4° |
| C01 | C02 | N18 | N17 | 179.9° | 179.3° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 119.9° |
| C01 | C02 | N18 | H10 | 0.1° | 0.8° |
| N15 | C16 | N17 | N18 | 180.0° | 175.2° |
| C02 | N18 | N17 | C16 | 0.0° | 0.9° |
| C02 | N18 | N17 | H10 | 180.0° | 180.0° |
| N18 | C02 | C01 | H7 | 90.0° | 89.9° |
| N18 | C02 | C01 | H8 | 30.0° | 150.0° |
| N18 | C02 | C01 | H9 | 150.0° | 30.1° |
| N17 | C16 | N15 | H20 | 5.4° | 57.8° |
| C16 | N17 | N18 | H10 | 180.0° | 179.2° |
| H1 | C10 | C09 | H13 | 0.1° | 0.3° |
| H3 | C24 | C25 | H15 | 55.3° | 63.3° |
| H3 | C24 | C25 | H16 | 63.8° | 56.8° |
| H4 | C24 | C25 | H15 | 174.2° | 56.8° |
| H4 | C24 | C25 | H16 | 55.1° | 176.9° |
| H5 | C28 | C27 | H17 | 57.2° | 176.9° |
| H5 | C28 | C27 | H18 | 176.5° | 56.9° |
| H6 | C28 | C27 | H17 | 61.7° | 56.8° |
| H6 | C28 | C27 | H18 | 57.6° | 63.2° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H11 | C07 | C08 | H12 | 0.0° | 0.6° |
| H12 | C08 | C09 | H13 | 0.0° | 0.2° |
