KUN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C27 | doub | 1.21Å | 1.25Å | |
| O19 | C18 | doub | 1.22Å | 1.22Å | |
| C27 | C21 | sing | 1.51Å | 1.62Å | |
| C27 | O29 | sing | 1.34Å | 1.25Å | |
| C21 | C22 | sing | 1.53Å | 1.60Å | |
| C21 | N20 | sing | 1.46Å | 1.44Å | |
| C23 | C22 | sing | 1.53Å | 1.59Å | |
| C23 | C24 | sing | 1.51Å | 1.65Å | |
| C18 | N20 | sing | 1.35Å | 1.39Å | |
| C18 | C15 | sing | 1.48Å | 1.50Å | |
| F14 | C13 | sing | 1.35Å | 1.31Å | |
| O26 | C24 | doub | 1.21Å | 1.28Å | |
| C24 | O25 | sing | 1.34Å | 1.26Å | |
| C15 | C13 | doub | 1.40Å | 1.47Å | Aromatic |
| C15 | N16 | sing | 1.33Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| N16 | C17 | doub | 1.31Å | 1.32Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C17 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | N10 | sing | 1.39Å | 1.37Å | |
| N10 | C08 | sing | 1.35Å | 1.35Å | |
| O09 | C08 | doub | 1.21Å | 1.22Å | |
| O31 | C30 | doub | 1.22Å | 1.24Å | |
| C08 | C07 | sing | 1.51Å | 1.49Å | |
| C30 | N32 | sing | 1.34Å | 1.41Å | |
| C30 | C06 | sing | 1.41Å | 1.45Å | |
| C07 | C06 | sing | 1.51Å | 1.48Å | |
| N32 | C02 | doub | 1.32Å | 1.39Å | |
| C06 | C04 | doub | 1.37Å | 1.36Å | |
| C02 | N01 | sing | 1.37Å | 1.43Å | |
| C02 | N03 | sing | 1.36Å | 1.37Å | |
| C04 | N03 | sing | 1.37Å | 1.39Å | |
| C04 | N05 | sing | 1.38Å | 1.30Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| N01 | H4 | sing | 0.97Å | 1.00Å | |
| N01 | H5 | sing | 0.97Å | 1.00Å | |
| N05 | H6 | sing | 0.97Å | 1.00Å | |
| N05 | H7 | sing | 0.97Å | 1.00Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| N10 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N20 | H13 | sing | 0.97Å | 1.00Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| O25 | H15 | sing | 0.97Å | 0.95Å | |
| O29 | H16 | sing | 0.97Å | 0.95Å | |
| N03 | H17 | sing | 0.97Å | 1.00Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C27 | C21 | 118.9° | 120.0° |
| O28 | C27 | O29 | 122.4° | 120.0° |
| O19 | C18 | N20 | 126.2° | 120.0° |
| O19 | C18 | C15 | 115.2° | 120.0° |
| C21 | C27 | O29 | 118.7° | 120.0° |
| C27 | C21 | C22 | 115.5° | 109.5° |
| C27 | C21 | N20 | 102.7° | 109.4° |
| C27 | C21 | H2 | 108.5° | 109.4° |
| C27 | O29 | H16 | 109.5° | 117.0° |
| C22 | C21 | N20 | 110.4° | 109.5° |
| C21 | C22 | C23 | 115.8° | 109.4° |
| C22 | C21 | H2 | 108.8° | 109.5° |
| C21 | C22 | H3 | 107.9° | 109.5° |
| C21 | C22 | H8 | 107.9° | 109.5° |
| C21 | N20 | C18 | 129.8° | 120.0° |
| N20 | C21 | H2 | 110.9° | 109.5° |
| C21 | N20 | H13 | 115.1° | 120.0° |
| C22 | C23 | C24 | 116.1° | 109.5° |
| C23 | C22 | H3 | 107.9° | 109.4° |
| C22 | C23 | H14 | 107.8° | 109.4° |
| C23 | C22 | H8 | 107.9° | 109.5° |
| C22 | C23 | H18 | 107.8° | 109.5° |
| C23 | C24 | O26 | 118.9° | 120.0° |
| C23 | C24 | O25 | 118.7° | 120.1° |
| C24 | C23 | H14 | 107.8° | 109.5° |
| C24 | C23 | H18 | 107.8° | 109.4° |
| N20 | C18 | C15 | 118.5° | 120.0° |
| C18 | N20 | H13 | 115.1° | 120.0° |
| C18 | C15 | C13 | 123.7° | 119.7° |
| C18 | C15 | N16 | 115.6° | 119.7° |
| F14 | C13 | C15 | 123.5° | 120.4° |
| F14 | C13 | C12 | 121.7° | 120.5° |
| O26 | C24 | O25 | 122.4° | 120.0° |
| C24 | O25 | H15 | 109.5° | 117.0° |
| C13 | C15 | N16 | 120.7° | 120.6° |
| C15 | C13 | C12 | 114.8° | 119.1° |
| C15 | N16 | C17 | 121.9° | 121.8° |
| C13 | C12 | C11 | 122.6° | 118.5° |
| C13 | C12 | H12 | 118.7° | 120.8° |
| N16 | C17 | C11 | 124.0° | 120.9° |
| N16 | C17 | H1 | 118.0° | 119.5° |
| C12 | C11 | C17 | 116.0° | 119.2° |
| C12 | C11 | N10 | 126.3° | 120.4° |
| C11 | C12 | H12 | 118.7° | 120.8° |
| C17 | C11 | N10 | 117.6° | 120.4° |
| C11 | C17 | H1 | 118.0° | 119.6° |
| C11 | N10 | C08 | 127.7° | 120.0° |
| C11 | N10 | H11 | 116.2° | 119.9° |
| N10 | C08 | O09 | 121.8° | 120.0° |
| N10 | C08 | C07 | 120.7° | 120.0° |
| C08 | N10 | H11 | 116.2° | 120.1° |
| O09 | C08 | C07 | 117.4° | 120.0° |
| O31 | C30 | N32 | 115.4° | 120.1° |
| O31 | C30 | C06 | 125.0° | 120.2° |
| C08 | C07 | C06 | 117.4° | 109.5° |
| C08 | C07 | H9 | 107.4° | 109.5° |
| C08 | C07 | H10 | 107.5° | 109.5° |
| N32 | C30 | C06 | 119.6° | 119.7° |
| C30 | N32 | C02 | 120.1° | 120.9° |
| C30 | C06 | C07 | 117.5° | 120.5° |
| C30 | C06 | C04 | 117.3° | 118.9° |
| C07 | C06 | C04 | 125.2° | 120.6° |
| C06 | C07 | H9 | 107.5° | 109.4° |
| C06 | C07 | H10 | 107.4° | 109.4° |
| N32 | C02 | N01 | 120.2° | 119.4° |
| N32 | C02 | N03 | 119.8° | 121.2° |
| C06 | C04 | N03 | 122.6° | 119.0° |
| C06 | C04 | N05 | 121.5° | 120.5° |
| N01 | C02 | N03 | 120.1° | 119.4° |
| C02 | N01 | H4 | 120.0° | 120.0° |
| C02 | N01 | H5 | 120.0° | 120.0° |
| C02 | N03 | C04 | 120.5° | 120.2° |
| C02 | N03 | H17 | 119.7° | 119.9° |
| N03 | C04 | N05 | 115.8° | 120.5° |
| C04 | N03 | H17 | 119.8° | 119.9° |
| C04 | N05 | H6 | 109.5° | 120.0° |
| C04 | N05 | H7 | 109.5° | 120.0° |
| H3 | C22 | H8 | 109.5° | 109.5° |
| H4 | N01 | H5 | 120.0° | 120.0° |
| H6 | N05 | H7 | 109.5° | 120.0° |
| H9 | C07 | H10 | 109.5° | 109.5° |
| H14 | C23 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C27 | C21 | O29 | 178.2° | 180.0° |
| O28 | C27 | C21 | C22 | 97.9° | 120.0° |
| O28 | C27 | C21 | N20 | 141.9° | 0.0° |
| O28 | C27 | C21 | H2 | 24.5° | 120.0° |
| O28 | C27 | O29 | H16 | 0.0° | 0.0° |
| O19 | C18 | N20 | C21 | 2.8° | 0.1° |
| O19 | C18 | N20 | C15 | 177.1° | 179.9° |
| O19 | C18 | C15 | C13 | 5.9° | 0.0° |
| O19 | C18 | C15 | N16 | 174.9° | 180.0° |
| O19 | C18 | N20 | H13 | 177.3° | 180.0° |
| C27 | C21 | C22 | N20 | 115.9° | 120.0° |
| C27 | C21 | C22 | H2 | 122.2° | 120.0° |
| C27 | C21 | N20 | H2 | 115.7° | 119.9° |
| C27 | C21 | C22 | C23 | 157.9° | 175.0° |
| C27 | C21 | N20 | C18 | 136.4° | 85.0° |
| C27 | C21 | C22 | H3 | 81.2° | 65.0° |
| C27 | C21 | N20 | H13 | 43.6° | 95.1° |
| C21 | C27 | O29 | H16 | 178.1° | 180.0° |
| C27 | C21 | C22 | H8 | 36.9° | 55.0° |
| O29 | C27 | C21 | C22 | 83.9° | 60.0° |
| O29 | C27 | C21 | N20 | 36.3° | 180.0° |
| O29 | C27 | C21 | H2 | 153.7° | 60.0° |
| C22 | C21 | N20 | H2 | 120.6° | 120.1° |
| C21 | C22 | C23 | H3 | 120.9° | 120.0° |
| C21 | C22 | C23 | H8 | 120.9° | 120.0° |
| C21 | C22 | C23 | C24 | 164.6° | 180.0° |
| C22 | C21 | N20 | C18 | 99.9° | 155.0° |
| C21 | C22 | H3 | H8 | 117.1° | 120.0° |
| C22 | C21 | N20 | H13 | 80.1° | 24.9° |
| C21 | C22 | C23 | H14 | 74.4° | 60.0° |
| C21 | C22 | C23 | H18 | 43.6° | 60.0° |
| N20 | C21 | C22 | C23 | 86.2° | 65.0° |
| C21 | N20 | C18 | H13 | 180.0° | 179.9° |
| C21 | N20 | C18 | C15 | 179.9° | 180.0° |
| N20 | C21 | C22 | H3 | 34.7° | 54.9° |
| N20 | C21 | C22 | H8 | 152.8° | 175.0° |
| C22 | C23 | C24 | H14 | 121.0° | 120.0° |
| C22 | C23 | C24 | H18 | 121.0° | 120.0° |
| C22 | C23 | C24 | O26 | 98.5° | 0.0° |
| C22 | C23 | C24 | O25 | 81.9° | 180.0° |
| C23 | C22 | C21 | H2 | 35.6° | 55.0° |
| C23 | C22 | H3 | H8 | 117.1° | 120.0° |
| C22 | C23 | H14 | H18 | 117.0° | 120.0° |
| C23 | C24 | O26 | O25 | 179.6° | 180.0° |
| C24 | C23 | C22 | H3 | 43.7° | 60.0° |
| C24 | C23 | H14 | H18 | 117.0° | 120.0° |
| C23 | C24 | O25 | H15 | 179.7° | 180.0° |
| C24 | C23 | C22 | H8 | 74.5° | 60.0° |
| N20 | C18 | C15 | C13 | 171.5° | 180.0° |
| N20 | C18 | C15 | N16 | 7.7° | 0.1° |
| C18 | N20 | C21 | H2 | 20.7° | 34.9° |
| C18 | C15 | C13 | F14 | 1.7° | 0.3° |
| C18 | C15 | C13 | N16 | 179.2° | 180.0° |
| C18 | C15 | C13 | C12 | 178.1° | 180.0° |
| C18 | C15 | N16 | C17 | 178.6° | 180.0° |
| C15 | C18 | N20 | H13 | 0.2° | 0.1° |
| F14 | C13 | C15 | C12 | 179.8° | 179.7° |
| F14 | C13 | C15 | N16 | 179.1° | 179.7° |
| F14 | C13 | C12 | C11 | 178.1° | 179.7° |
| F14 | C13 | C12 | H12 | 1.8° | 0.3° |
| O26 | C24 | C23 | H14 | 22.5° | 120.0° |
| O26 | C24 | O25 | H15 | 0.0° | 0.0° |
| O26 | C24 | C23 | H18 | 140.5° | 120.0° |
| O25 | C24 | C23 | H14 | 157.2° | 60.0° |
| O25 | C24 | C23 | H18 | 39.1° | 60.0° |
| C13 | C15 | N16 | C17 | 0.6° | 0.0° |
| C15 | C13 | C12 | C11 | 2.1° | 0.0° |
| C15 | C13 | C12 | H12 | 178.0° | 180.0° |
| N16 | C15 | C13 | C12 | 1.1° | 0.0° |
| C15 | N16 | C17 | C11 | 1.1° | 0.0° |
| C15 | N16 | C17 | H1 | 179.0° | 180.0° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C17 | 2.5° | 0.0° |
| C13 | C12 | C11 | N10 | 180.0° | 180.0° |
| N16 | C17 | C11 | C12 | 1.9° | 0.0° |
| N16 | C17 | C11 | H1 | 180.0° | 180.0° |
| N16 | C17 | C11 | N10 | 179.7° | 180.0° |
| C12 | C11 | C17 | N10 | 177.7° | 180.0° |
| C12 | C11 | N10 | C08 | 23.0° | 33.0° |
| C12 | C11 | C17 | H1 | 178.1° | 180.0° |
| C12 | C11 | N10 | H11 | 157.0° | 147.1° |
| C17 | C11 | N10 | C08 | 154.5° | 147.1° |
| C17 | C11 | N10 | H11 | 25.5° | 32.9° |
| C17 | C11 | C12 | H12 | 177.5° | 180.0° |
| C11 | N10 | C08 | H11 | 180.0° | 179.9° |
| C11 | N10 | C08 | O09 | 4.5° | 5.2° |
| C11 | N10 | C08 | C07 | 177.3° | 174.8° |
| N10 | C11 | C17 | H1 | 0.3° | 0.0° |
| N10 | C11 | C12 | H12 | 0.0° | 0.0° |
| N10 | C08 | O09 | C07 | 178.3° | 180.0° |
| N10 | C08 | C07 | C06 | 165.7° | 180.0° |
| N10 | C08 | C07 | H9 | 44.6° | 60.0° |
| N10 | C08 | C07 | H10 | 73.1° | 60.0° |
| O09 | C08 | C07 | C06 | 12.6° | 0.0° |
| O09 | C08 | C07 | H9 | 133.8° | 120.0° |
| O09 | C08 | C07 | H10 | 108.5° | 120.0° |
| O09 | C08 | N10 | H11 | 175.5° | 174.7° |
| O31 | C30 | N32 | C06 | 178.4° | 179.5° |
| O31 | C30 | C06 | C07 | 0.8° | 0.2° |
| O31 | C30 | N32 | C02 | 177.7° | 180.0° |
| O31 | C30 | C06 | C04 | 177.6° | 179.7° |
| C08 | C07 | C06 | C30 | 86.0° | 85.0° |
| C08 | C07 | C06 | H9 | 121.1° | 120.0° |
| C08 | C07 | C06 | H10 | 121.2° | 120.0° |
| C08 | C07 | C06 | C04 | 92.3° | 95.0° |
| C08 | C07 | H9 | H10 | 116.4° | 120.0° |
| C07 | C08 | N10 | H11 | 2.8° | 5.3° |
| N32 | C30 | C06 | C07 | 179.1° | 179.7° |
| N32 | C30 | C06 | C04 | 0.6° | 0.2° |
| C30 | N32 | C02 | N01 | 179.0° | 179.8° |
| C30 | N32 | C02 | N03 | 0.0° | 0.5° |
| C30 | C06 | C07 | C04 | 178.4° | 179.9° |
| C06 | C30 | N32 | C02 | 0.7° | 0.5° |
| C30 | C06 | C04 | N03 | 0.2° | 0.0° |
| C30 | C06 | C04 | N05 | 179.0° | 180.0° |
| C30 | C06 | C07 | H9 | 35.1° | 35.1° |
| C30 | C06 | C07 | H10 | 152.8° | 155.0° |
| C07 | C06 | C04 | N03 | 178.1° | 180.0° |
| C07 | C06 | C04 | N05 | 2.7° | 0.0° |
| C06 | C07 | H9 | H10 | 116.4° | 119.9° |
| N32 | C02 | N01 | N03 | 179.0° | 179.7° |
| N32 | C02 | N03 | C04 | 0.9° | 0.3° |
| N32 | C02 | N01 | H4 | 0.0° | 179.7° |
| N32 | C02 | N01 | H5 | 180.0° | 0.3° |
| N32 | C02 | N03 | H17 | 179.1° | 179.7° |
| C06 | C04 | N03 | C02 | 1.0° | 0.0° |
| C06 | C04 | N03 | N05 | 179.3° | 180.0° |
| C06 | C04 | N05 | H6 | 180.0° | 180.0° |
| C06 | C04 | N05 | H7 | 60.0° | 0.0° |
| C04 | C06 | C07 | H9 | 146.5° | 145.0° |
| C04 | C06 | C07 | H10 | 28.8° | 25.0° |
| C06 | C04 | N03 | H17 | 179.0° | 180.0° |
| N01 | C02 | N03 | C04 | 178.1° | 180.0° |
| C02 | N01 | H4 | H5 | 180.0° | 180.0° |
| N01 | C02 | N03 | H17 | 1.9° | 0.0° |
| C02 | N03 | C04 | H17 | 180.0° | 180.0° |
| C02 | N03 | C04 | N05 | 178.3° | 180.0° |
| N03 | C02 | N01 | H4 | 179.0° | 0.1° |
| N03 | C02 | N01 | H5 | 1.1° | 180.0° |
| N03 | C04 | N05 | H6 | 0.7° | 0.0° |
| N03 | C04 | N05 | H7 | 119.3° | 180.0° |
| C04 | N05 | H6 | H7 | 120.0° | 180.0° |
| N05 | C04 | N03 | H17 | 1.8° | 0.0° |
| H2 | C21 | C22 | H3 | 156.5° | 175.0° |
| H2 | C21 | N20 | H13 | 159.3° | 145.0° |
| H2 | C21 | C22 | H8 | 85.3° | 65.0° |
| H3 | C22 | C23 | H14 | 164.6° | 180.0° |
| H3 | C22 | C23 | H18 | 77.3° | 60.0° |
| H14 | C23 | C22 | H8 | 46.5° | 60.0° |
| H8 | C22 | C23 | H18 | 164.6° | 180.0° |
