KT1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C14 | sing | 1.36Å | 1.40Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| C17 | O18 | sing | 1.36Å | 1.42Å | |
| O18 | C19 | sing | 1.43Å | 1.40Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C08 | N07 | sing | 1.47Å | 1.46Å | |
| N07 | C06 | sing | 1.39Å | 1.45Å | |
| O24 | C04 | doub | 1.22Å | 1.21Å | |
| C06 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.47Å | 1.54Å | |
| C04 | N03 | sing | 1.34Å | 1.44Å | |
| C05 | C23 | sing | 1.41Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| C23 | C02 | sing | 1.48Å | 1.54Å | |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C02 | O01 | doub | 1.21Å | 1.17Å | |
| C21 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| N03 | H16 | sing | 0.97Å | 1.00Å | |
| N07 | H17 | sing | 0.97Å | 1.00Å | |
| O15 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C14 | C13 | 119.3° | 120.1° |
| O15 | C14 | C16 | 120.3° | 120.0° |
| C14 | O15 | H18 | 109.5° | 114.0° |
| C14 | C13 | C12 | 119.4° | 120.1° |
| C13 | C14 | C16 | 120.5° | 119.9° |
| C14 | C13 | H11 | 120.3° | 119.9° |
| C13 | C12 | C11 | 120.7° | 120.1° |
| C13 | C12 | H10 | 119.6° | 119.9° |
| C12 | C13 | H11 | 120.3° | 120.0° |
| C14 | C16 | C17 | 119.9° | 119.9° |
| C14 | C16 | H7 | 120.0° | 120.0° |
| C12 | C11 | C17 | 119.7° | 120.1° |
| C12 | C11 | C10 | 119.3° | 120.0° |
| C11 | C12 | H10 | 119.7° | 120.0° |
| C16 | C17 | C11 | 119.8° | 120.0° |
| C16 | C17 | O18 | 119.1° | 120.0° |
| C17 | C16 | H7 | 120.0° | 120.1° |
| C17 | C11 | C10 | 121.0° | 120.0° |
| C11 | C17 | O18 | 121.0° | 120.1° |
| C11 | C10 | C09 | 116.6° | 109.5° |
| C11 | C10 | H8 | 107.7° | 109.4° |
| C11 | C10 | H9 | 107.7° | 109.5° |
| C17 | O18 | C19 | 120.7° | 117.1° |
| O18 | C19 | H4 | 109.5° | 109.4° |
| O18 | C19 | H5 | 109.5° | 109.4° |
| O18 | C19 | H6 | 109.5° | 109.5° |
| C10 | C09 | C08 | 111.5° | 109.5° |
| C09 | C10 | H8 | 107.7° | 109.4° |
| C09 | C10 | H9 | 107.7° | 109.5° |
| C10 | C09 | H14 | 109.0° | 109.4° |
| C10 | C09 | H15 | 108.9° | 109.5° |
| C09 | C08 | N07 | 107.6° | 109.5° |
| C09 | C08 | H12 | 109.9° | 109.5° |
| C09 | C08 | H13 | 109.9° | 109.5° |
| C08 | C09 | H14 | 108.9° | 109.5° |
| C08 | C09 | H15 | 108.9° | 109.5° |
| C08 | N07 | C06 | 125.9° | 120.0° |
| N07 | C08 | H12 | 110.0° | 109.5° |
| N07 | C08 | H13 | 109.9° | 109.5° |
| C08 | N07 | H17 | 105.3° | 120.0° |
| N07 | C06 | C05 | 115.3° | 120.3° |
| N07 | C06 | C20 | 125.2° | 120.3° |
| C06 | N07 | H17 | 105.2° | 120.0° |
| O24 | C04 | C05 | 127.6° | 125.7° |
| O24 | C04 | N03 | 125.6° | 125.7° |
| C05 | C06 | C20 | 119.5° | 119.5° |
| C06 | C05 | C04 | 130.2° | 134.3° |
| C06 | C05 | C23 | 120.7° | 119.7° |
| C06 | C20 | C21 | 120.0° | 120.4° |
| C06 | C20 | H3 | 120.0° | 119.8° |
| C05 | C04 | N03 | 106.8° | 108.6° |
| C04 | C05 | C23 | 109.0° | 105.9° |
| C04 | N03 | C02 | 108.8° | 111.1° |
| C04 | N03 | H16 | 125.6° | 124.4° |
| C05 | C23 | C02 | 107.5° | 105.8° |
| C05 | C23 | C22 | 120.0° | 119.9° |
| C20 | C21 | C22 | 120.4° | 120.6° |
| C20 | C21 | H1 | 119.8° | 119.7° |
| C21 | C20 | H3 | 120.0° | 119.8° |
| N03 | C02 | C23 | 107.8° | 108.5° |
| N03 | C02 | O01 | 126.1° | 125.8° |
| C02 | N03 | H16 | 125.6° | 124.4° |
| C02 | C23 | C22 | 132.5° | 134.3° |
| C23 | C02 | O01 | 126.1° | 125.7° |
| C23 | C22 | C21 | 119.4° | 119.9° |
| C23 | C22 | H2 | 120.3° | 120.1° |
| C22 | C21 | H1 | 119.8° | 119.7° |
| C21 | C22 | H2 | 120.3° | 120.0° |
| H4 | C19 | H5 | 109.4° | 109.5° |
| H4 | C19 | H6 | 109.5° | 109.5° |
| H5 | C19 | H6 | 109.4° | 109.5° |
| H8 | C10 | H9 | 109.4° | 109.5° |
| H12 | C08 | H13 | 109.5° | 109.4° |
| H14 | C09 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C14 | C13 | C16 | 179.8° | 179.6° |
| O15 | C14 | C13 | C12 | 179.7° | 180.0° |
| O15 | C14 | C16 | C17 | 179.6° | 179.7° |
| O15 | C14 | C16 | H7 | 0.4° | 0.4° |
| O15 | C14 | C13 | H11 | 0.3° | 0.4° |
| C14 | C13 | C12 | H11 | 180.0° | 179.6° |
| C14 | C13 | C12 | C11 | 0.1° | 0.3° |
| C13 | C14 | C16 | C17 | 0.6° | 0.1° |
| C13 | C14 | C16 | H7 | 179.4° | 180.0° |
| C14 | C13 | C12 | H10 | 179.9° | 179.7° |
| C13 | C14 | O15 | H18 | 180.0° | 89.9° |
| C12 | C13 | C14 | C16 | 0.1° | 0.4° |
| C13 | C12 | C11 | H10 | 180.0° | 180.0° |
| C13 | C12 | C11 | C17 | 1.0° | 0.1° |
| C13 | C12 | C11 | C10 | 178.9° | 179.9° |
| C14 | C16 | C17 | H7 | 180.0° | 180.0° |
| C14 | C16 | C17 | C11 | 1.5° | 0.3° |
| C14 | C16 | C17 | O18 | 178.6° | 180.0° |
| C16 | C14 | C13 | H11 | 179.8° | 180.0° |
| C16 | C14 | O15 | H18 | 0.2° | 89.7° |
| C12 | C11 | C17 | C16 | 1.7° | 0.3° |
| C12 | C11 | C17 | C10 | 177.8° | 179.9° |
| C12 | C11 | C17 | O18 | 178.8° | 180.0° |
| C12 | C11 | C10 | C09 | 86.8° | 94.9° |
| C12 | C11 | C10 | H8 | 152.1° | 25.1° |
| C12 | C11 | C10 | H9 | 34.3° | 145.1° |
| C11 | C12 | C13 | H11 | 179.9° | 179.9° |
| C16 | C17 | C11 | O18 | 177.0° | 179.7° |
| C16 | C17 | C11 | C10 | 179.5° | 179.8° |
| C16 | C17 | O18 | C19 | 96.4° | 0.0° |
| C11 | C17 | O18 | C19 | 86.5° | 179.7° |
| C17 | C11 | C10 | C09 | 95.4° | 85.0° |
| C11 | C17 | C16 | H7 | 178.5° | 179.7° |
| C17 | C11 | C10 | H8 | 25.7° | 155.0° |
| C17 | C11 | C10 | H9 | 143.6° | 35.0° |
| C17 | C11 | C12 | H10 | 179.0° | 180.0° |
| C10 | C11 | C17 | O18 | 3.4° | 0.1° |
| C11 | C10 | C09 | H8 | 121.0° | 120.0° |
| C11 | C10 | C09 | H9 | 121.1° | 120.0° |
| C11 | C10 | C09 | C08 | 170.9° | 180.0° |
| C11 | C10 | H8 | H9 | 116.7° | 120.0° |
| C10 | C11 | C12 | H10 | 1.1° | 0.1° |
| C11 | C10 | C09 | H14 | 68.8° | 60.0° |
| C11 | C10 | C09 | H15 | 50.6° | 60.0° |
| C17 | O18 | C19 | H4 | 180.0° | 59.9° |
| C17 | O18 | C19 | H5 | 60.0° | 60.0° |
| C17 | O18 | C19 | H6 | 60.0° | 180.0° |
| O18 | C17 | C16 | H7 | 1.4° | 0.0° |
| O18 | C19 | H4 | H5 | 120.0° | 119.9° |
| O18 | C19 | H4 | H6 | 120.0° | 120.0° |
| O18 | C19 | H5 | H6 | 120.0° | 120.0° |
| C10 | C09 | C08 | H14 | 120.3° | 119.9° |
| C10 | C09 | C08 | H15 | 120.3° | 120.0° |
| C10 | C09 | C08 | N07 | 73.1° | 180.0° |
| C09 | C10 | H8 | H9 | 116.8° | 120.0° |
| C10 | C09 | C08 | H12 | 46.6° | 60.0° |
| C10 | C09 | C08 | H13 | 167.2° | 60.0° |
| C10 | C09 | H14 | H15 | 119.1° | 120.0° |
| C09 | C08 | N07 | H12 | 119.7° | 120.0° |
| C09 | C08 | N07 | H13 | 119.7° | 120.0° |
| C09 | C08 | N07 | C06 | 177.4° | 180.0° |
| C08 | C09 | C10 | H8 | 49.8° | 60.0° |
| C08 | C09 | C10 | H9 | 68.1° | 60.0° |
| C09 | C08 | H12 | H13 | 120.9° | 120.0° |
| C08 | C09 | H14 | H15 | 119.0° | 120.0° |
| C09 | C08 | N07 | H17 | 55.3° | 0.0° |
| C08 | N07 | C06 | H17 | 122.2° | 179.9° |
| C08 | N07 | C06 | C05 | 179.5° | 180.0° |
| C08 | N07 | C06 | C20 | 0.8° | 0.2° |
| N07 | C08 | H12 | H13 | 120.9° | 120.0° |
| N07 | C08 | C09 | H14 | 166.6° | 60.1° |
| N07 | C08 | C09 | H15 | 47.2° | 60.0° |
| N07 | C06 | C05 | C20 | 179.7° | 179.8° |
| N07 | C06 | C05 | C04 | 0.7° | 0.0° |
| N07 | C06 | C05 | C23 | 179.5° | 180.0° |
| N07 | C06 | C20 | C21 | 179.8° | 179.7° |
| N07 | C06 | C20 | H3 | 0.2° | 0.2° |
| C06 | N07 | C08 | H12 | 62.8° | 60.0° |
| C06 | N07 | C08 | H13 | 57.8° | 59.9° |
| O24 | C04 | C05 | C06 | 1.4° | 0.0° |
| O24 | C04 | C05 | N03 | 178.7° | 179.4° |
| O24 | C04 | C05 | C23 | 179.7° | 180.0° |
| O24 | C04 | N03 | C02 | 179.5° | 179.7° |
| O24 | C04 | N03 | H16 | 0.5° | 0.5° |
| C06 | C05 | C04 | C23 | 178.9° | 180.0° |
| C06 | C05 | C04 | N03 | 180.0° | 179.4° |
| C05 | C06 | C20 | C21 | 0.1° | 0.1° |
| C06 | C05 | C23 | C02 | 178.9° | 179.9° |
| C06 | C05 | C23 | C22 | 0.2° | 0.4° |
| C05 | C06 | C20 | H3 | 179.9° | 180.0° |
| C05 | C06 | N07 | H17 | 57.3° | 0.1° |
| C20 | C06 | C05 | C04 | 179.0° | 179.9° |
| C20 | C06 | C05 | C23 | 0.2° | 0.2° |
| C06 | C20 | C21 | H3 | 180.0° | 179.9° |
| C06 | C20 | C21 | C22 | 0.7° | 0.1° |
| C06 | C20 | C21 | H1 | 179.3° | 179.7° |
| C20 | C06 | N07 | H17 | 123.0° | 179.8° |
| C05 | C04 | N03 | C02 | 1.9° | 0.8° |
| C04 | C05 | C23 | C02 | 0.2° | 0.0° |
| C04 | C05 | C23 | C22 | 178.9° | 179.6° |
| C05 | C04 | N03 | H16 | 178.2° | 180.0° |
| N03 | C04 | C05 | C23 | 1.0° | 0.5° |
| C04 | N03 | C02 | H16 | 180.0° | 179.2° |
| C04 | N03 | C02 | C23 | 2.0° | 0.8° |
| C04 | N03 | C02 | O01 | 179.9° | 179.2° |
| C05 | C23 | C02 | N03 | 1.3° | 0.4° |
| C05 | C23 | C02 | C22 | 178.5° | 179.5° |
| C05 | C23 | C22 | C21 | 0.8° | 0.5° |
| C05 | C23 | C02 | O01 | 179.2° | 179.5° |
| C05 | C23 | C22 | H2 | 179.2° | 179.5° |
| C20 | C21 | C22 | C23 | 1.1° | 0.2° |
| C20 | C21 | C22 | H1 | 180.0° | 179.8° |
| C20 | C21 | C22 | H2 | 178.9° | 179.8° |
| N03 | C02 | C23 | O01 | 177.9° | 180.0° |
| N03 | C02 | C23 | C22 | 179.8° | 180.0° |
| C02 | C23 | C22 | C21 | 179.2° | 180.0° |
| C02 | C23 | C22 | H2 | 0.8° | 0.0° |
| C23 | C02 | N03 | H16 | 178.0° | 180.0° |
| C23 | C22 | C21 | H2 | 180.0° | 180.0° |
| C22 | C23 | C02 | O01 | 2.3° | 0.0° |
| C23 | C22 | C21 | H1 | 178.9° | 180.0° |
| C22 | C21 | C20 | H3 | 179.2° | 180.0° |
| O01 | C02 | N03 | H16 | 0.1° | 0.0° |
| H1 | C21 | C22 | H2 | 1.0° | 0.0° |
| H1 | C21 | C20 | H3 | 0.7° | 0.2° |
| H4 | C19 | H5 | H6 | 120.0° | 120.1° |
| H8 | C10 | C09 | H14 | 170.1° | 180.0° |
| H8 | C10 | C09 | H15 | 70.5° | 60.0° |
| H9 | C10 | C09 | H14 | 52.2° | 60.0° |
| H9 | C10 | C09 | H15 | 171.6° | 180.0° |
| H10 | C12 | C13 | H11 | 0.1° | 0.1° |
| H12 | C08 | C09 | H14 | 73.7° | 179.9° |
| H12 | C08 | C09 | H15 | 166.9° | 60.0° |
| H12 | C08 | N07 | H17 | 175.0° | 120.0° |
| H13 | C08 | C09 | H14 | 46.9° | 60.0° |
| H13 | C08 | C09 | H15 | 72.5° | 180.0° |
| H13 | C08 | N07 | H17 | 64.4° | 120.0° |
