KUK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N05 | C04 | sing | 1.35Å | 1.43Å | |
| N03 | C04 | doub | 1.31Å | 1.41Å | |
| N03 | C02 | sing | 1.33Å | 1.43Å | |
| C04 | C06 | sing | 1.52Å | 1.44Å | |
| N01 | C02 | sing | 1.37Å | 1.41Å | |
| C02 | N33 | doub | 1.32Å | 1.43Å | |
| C06 | N07 | sing | 1.46Å | 1.43Å | |
| C06 | C31 | sing | 1.52Å | 1.46Å | |
| N07 | C08 | sing | 1.35Å | 1.43Å | |
| N33 | C31 | sing | 1.33Å | 1.44Å | |
| C31 | O32 | doub | 1.22Å | 1.23Å | |
| C08 | N10 | sing | 1.35Å | 1.42Å | |
| C08 | O09 | doub | 1.22Å | 1.21Å | |
| N10 | C11 | sing | 1.39Å | 1.40Å | |
| N25 | N24 | sing | 1.29Å | 1.33Å | Aromatic |
| N25 | N26 | doub | 1.29Å | 1.30Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | N13 | sing | 1.31Å | 1.33Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| N24 | C23 | sing | 1.35Å | 1.35Å | Aromatic |
| N26 | N27 | sing | 1.29Å | 1.34Å | Aromatic |
| N13 | C14 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | N27 | doub | 1.31Å | 1.34Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C17 | sing | 1.48Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.49Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| N19 | C17 | sing | 1.35Å | 1.44Å | |
| N19 | C20 | sing | 1.46Å | 1.45Å | |
| O29 | C28 | doub | 1.21Å | 1.26Å | |
| C17 | O18 | doub | 1.22Å | 1.21Å | |
| C20 | C28 | sing | 1.51Å | 1.51Å | |
| C28 | O30 | sing | 1.34Å | 1.25Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| N01 | H7 | sing | 0.97Å | 1.00Å | |
| N01 | H8 | sing | 0.97Å | 1.00Å | |
| N05 | H9 | sing | 0.97Å | 1.00Å | |
| N05 | H10 | sing | 0.97Å | 1.00Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| N07 | H12 | sing | 0.97Å | 1.00Å | |
| N10 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| N19 | H16 | sing | 0.97Å | 1.00Å | |
| N24 | H17 | sing | 0.97Å | 1.00Å | |
| O30 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N05 | C04 | N03 | 118.3° | 121.3° |
| N05 | C04 | C06 | 122.0° | 121.3° |
| C04 | N05 | H9 | 120.0° | 120.0° |
| C04 | N05 | H10 | 120.0° | 120.0° |
| C04 | N03 | C02 | 119.8° | 122.3° |
| N03 | C04 | C06 | 119.6° | 117.4° |
| N03 | C02 | N01 | 116.3° | 117.4° |
| N03 | C02 | N33 | 120.9° | 125.1° |
| C04 | C06 | N07 | 123.0° | 108.2° |
| C04 | C06 | C31 | 122.2° | 116.0° |
| C04 | C06 | H11 | 91.7° | 108.2° |
| N01 | C02 | N33 | 122.8° | 117.5° |
| C02 | N01 | H7 | 120.0° | 120.0° |
| C02 | N01 | H8 | 120.0° | 120.1° |
| C02 | N33 | C31 | 121.0° | 122.0° |
| N07 | C06 | C31 | 114.5° | 108.2° |
| C06 | N07 | C08 | 113.8° | 120.0° |
| N07 | C06 | H11 | 91.6° | 108.1° |
| C06 | N07 | H12 | 123.1° | 120.1° |
| C06 | C31 | N33 | 116.3° | 117.2° |
| C06 | C31 | O32 | 121.2° | 121.4° |
| C31 | C06 | H11 | 91.6° | 108.0° |
| N07 | C08 | N10 | 110.8° | 120.0° |
| N07 | C08 | O09 | 125.0° | 120.0° |
| C08 | N07 | H12 | 123.1° | 120.0° |
| N33 | C31 | O32 | 122.4° | 121.4° |
| N10 | C08 | O09 | 124.2° | 120.0° |
| C08 | N10 | C11 | 125.3° | 120.0° |
| C08 | N10 | H13 | 117.4° | 120.0° |
| N10 | C11 | C12 | 116.6° | 120.4° |
| N10 | C11 | C16 | 121.4° | 120.4° |
| C11 | N10 | H13 | 117.4° | 120.0° |
| N24 | N25 | N26 | 109.0° | 108.8° |
| N25 | N24 | C23 | 107.8° | 107.1° |
| N25 | N24 | H17 | 126.1° | 126.4° |
| N25 | N26 | N27 | 108.4° | 109.4° |
| C11 | C12 | N13 | 118.2° | 120.8° |
| C12 | C11 | C16 | 122.1° | 119.2° |
| C11 | C12 | H14 | 120.9° | 119.5° |
| C12 | N13 | C14 | 121.5° | 121.7° |
| N13 | C12 | H14 | 120.9° | 119.6° |
| C11 | C16 | C15 | 117.0° | 118.5° |
| C11 | C16 | H15 | 121.5° | 120.8° |
| N24 | C23 | N27 | 106.8° | 106.7° |
| N24 | C23 | C22 | 126.6° | 126.7° |
| C23 | N24 | H17 | 126.1° | 126.4° |
| N26 | N27 | C23 | 107.9° | 108.0° |
| N13 | C14 | C15 | 121.9° | 120.7° |
| N13 | C14 | C17 | 118.4° | 119.7° |
| C16 | C15 | C14 | 119.2° | 119.1° |
| C16 | C15 | H1 | 120.4° | 120.5° |
| C15 | C16 | H15 | 121.5° | 120.7° |
| N27 | C23 | C22 | 126.5° | 126.7° |
| C23 | C22 | C21 | 110.5° | 109.5° |
| C23 | C22 | H5 | 109.2° | 109.5° |
| C23 | C22 | H6 | 109.2° | 109.5° |
| C15 | C14 | C17 | 119.6° | 119.6° |
| C14 | C15 | H1 | 120.4° | 120.4° |
| C14 | C17 | N19 | 113.9° | 120.0° |
| C14 | C17 | O18 | 121.9° | 120.0° |
| C22 | C21 | C20 | 110.6° | 109.5° |
| C22 | C21 | H3 | 109.2° | 109.5° |
| C22 | C21 | H4 | 109.2° | 109.4° |
| C21 | C22 | H5 | 109.2° | 109.5° |
| C21 | C22 | H6 | 109.2° | 109.4° |
| C21 | C20 | N19 | 108.0° | 109.5° |
| C21 | C20 | C28 | 101.7° | 109.5° |
| C21 | C20 | H2 | 111.9° | 109.4° |
| C20 | C21 | H3 | 109.2° | 109.5° |
| C20 | C21 | H4 | 109.2° | 109.5° |
| C17 | N19 | C20 | 125.8° | 120.0° |
| N19 | C17 | O18 | 124.2° | 120.0° |
| C17 | N19 | H16 | 117.1° | 120.0° |
| N19 | C20 | C28 | 109.3° | 109.5° |
| N19 | C20 | H2 | 113.1° | 109.5° |
| C20 | N19 | H16 | 117.1° | 120.0° |
| O29 | C28 | C20 | 121.4° | 120.0° |
| O29 | C28 | O30 | 119.6° | 120.0° |
| C20 | C28 | O30 | 119.0° | 120.0° |
| C28 | C20 | H2 | 112.1° | 109.5° |
| C28 | O30 | H18 | 109.5° | 117.0° |
| H3 | C21 | H4 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.4° | 109.5° |
| H7 | N01 | H8 | 120.0° | 120.0° |
| H9 | N05 | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N05 | C04 | N03 | C06 | 176.1° | 180.0° |
| N05 | C04 | N03 | C02 | 178.9° | 180.0° |
| N05 | C04 | C06 | N07 | 6.0° | 58.3° |
| N05 | C04 | C06 | C31 | 179.9° | 180.0° |
| C04 | N05 | H9 | H10 | 180.0° | 180.0° |
| N05 | C04 | C06 | H11 | 87.0° | 58.5° |
| C04 | N03 | C02 | N01 | 177.2° | 180.0° |
| C04 | N03 | C02 | N33 | 2.1° | 0.3° |
| N03 | C04 | C06 | N07 | 178.1° | 121.7° |
| N03 | C04 | C06 | C31 | 4.0° | 0.0° |
| N03 | C04 | N05 | H9 | 0.0° | 0.0° |
| N03 | C04 | N05 | H10 | 180.0° | 180.0° |
| N03 | C04 | C06 | H11 | 88.9° | 121.5° |
| C02 | N03 | C04 | C06 | 2.8° | 0.0° |
| N03 | C02 | N01 | N33 | 179.4° | 179.7° |
| N03 | C02 | N33 | C31 | 2.5° | 0.6° |
| N03 | C02 | N01 | H7 | 0.0° | 179.7° |
| N03 | C02 | N01 | H8 | 180.0° | 0.3° |
| C04 | C06 | N07 | C31 | 174.5° | 126.4° |
| C04 | C06 | N07 | H11 | 93.0° | 116.9° |
| C04 | C06 | C31 | H11 | 93.0° | 121.6° |
| C04 | C06 | N07 | C08 | 93.2° | 155.0° |
| C04 | C06 | C31 | N33 | 4.2° | 0.2° |
| C04 | C06 | C31 | O32 | 175.0° | 180.0° |
| C06 | C04 | N05 | H9 | 176.0° | 180.0° |
| C06 | C04 | N05 | H10 | 4.0° | 0.0° |
| C04 | C06 | N07 | H12 | 86.8° | 25.0° |
| N01 | C02 | N33 | C31 | 176.9° | 179.7° |
| C02 | N01 | H7 | H8 | 180.0° | 180.0° |
| C02 | N33 | C31 | C06 | 3.4° | 0.5° |
| C02 | N33 | C31 | O32 | 175.8° | 179.7° |
| N33 | C02 | N01 | H7 | 179.4° | 0.0° |
| N33 | C02 | N01 | H8 | 0.6° | 180.0° |
| N07 | C06 | C31 | H11 | 92.5° | 116.8° |
| C06 | N07 | C08 | H12 | 180.0° | 180.0° |
| N07 | C06 | C31 | N33 | 178.7° | 121.9° |
| N07 | C06 | C31 | O32 | 0.5° | 58.3° |
| C06 | N07 | C08 | N10 | 178.5° | 180.0° |
| C06 | N07 | C08 | O09 | 3.1° | 0.0° |
| C31 | C06 | N07 | C08 | 81.3° | 78.6° |
| C06 | C31 | N33 | O32 | 179.2° | 179.7° |
| C31 | C06 | N07 | H12 | 98.7° | 101.4° |
| N07 | C08 | N10 | O09 | 178.5° | 180.0° |
| N07 | C08 | N10 | C11 | 179.3° | 174.7° |
| C08 | N07 | C06 | H11 | 173.8° | 38.1° |
| N07 | C08 | N10 | H13 | 0.7° | 5.3° |
| N33 | C31 | C06 | H11 | 88.8° | 121.3° |
| O32 | C31 | C06 | H11 | 92.0° | 58.4° |
| C08 | N10 | C11 | H13 | 180.0° | 180.0° |
| C08 | N10 | C11 | C12 | 155.2° | 147.2° |
| C08 | N10 | C11 | C16 | 26.0° | 32.9° |
| N10 | C08 | N07 | H12 | 1.5° | 0.0° |
| O09 | C08 | N10 | C11 | 2.2° | 5.3° |
| O09 | C08 | N07 | H12 | 176.9° | 180.0° |
| O09 | C08 | N10 | H13 | 177.8° | 174.7° |
| N10 | C11 | C12 | C16 | 178.8° | 180.0° |
| N10 | C11 | C12 | N13 | 179.3° | 179.7° |
| N10 | C11 | C16 | C15 | 179.5° | 180.0° |
| N10 | C11 | C12 | H14 | 0.7° | 0.1° |
| N10 | C11 | C16 | H15 | 0.4° | 0.0° |
| N25 | N24 | C23 | H17 | 180.0° | 179.9° |
| N24 | N25 | N26 | N27 | 0.9° | 0.0° |
| N25 | N24 | C23 | N27 | 0.1° | 0.0° |
| N25 | N24 | C23 | C22 | 179.2° | 179.7° |
| N26 | N25 | N24 | C23 | 0.6° | 0.0° |
| N25 | N26 | N27 | C23 | 0.8° | 0.0° |
| N26 | N25 | N24 | H17 | 179.4° | 179.9° |
| C11 | C12 | N13 | H14 | 180.0° | 179.7° |
| C11 | C12 | N13 | C14 | 1.3° | 0.3° |
| C12 | C11 | C16 | C15 | 0.8° | 0.0° |
| C12 | C11 | N10 | H13 | 24.9° | 32.8° |
| C12 | C11 | C16 | H15 | 179.2° | 180.0° |
| N13 | C12 | C11 | C16 | 0.4° | 0.3° |
| C12 | N13 | C14 | C15 | 2.6° | 0.0° |
| C12 | N13 | C14 | C17 | 179.6° | 180.0° |
| C11 | C16 | C15 | H15 | 180.0° | 180.0° |
| C11 | C16 | C15 | C14 | 1.9° | 0.2° |
| C11 | C16 | C15 | H1 | 178.1° | 180.0° |
| C16 | C11 | N10 | H13 | 154.0° | 147.1° |
| C16 | C11 | C12 | H14 | 179.6° | 180.0° |
| N24 | C23 | N27 | N26 | 0.5° | 0.0° |
| N24 | C23 | N27 | C22 | 179.1° | 179.7° |
| N24 | C23 | C22 | C21 | 70.3° | 125.3° |
| N24 | C23 | C22 | H5 | 49.9° | 5.3° |
| N24 | C23 | C22 | H6 | 169.5° | 114.7° |
| N26 | N27 | C23 | C22 | 178.6° | 179.7° |
| N13 | C14 | C15 | C16 | 2.8° | 0.2° |
| N13 | C14 | C15 | C17 | 177.0° | 180.0° |
| N13 | C14 | C17 | N19 | 6.4° | 0.0° |
| N13 | C14 | C17 | O18 | 172.7° | 180.0° |
| N13 | C14 | C15 | H1 | 177.1° | 180.0° |
| C14 | N13 | C12 | H14 | 178.7° | 180.0° |
| C16 | C15 | C14 | H1 | 180.0° | 179.8° |
| C16 | C15 | C14 | C17 | 179.8° | 179.8° |
| N27 | C23 | C22 | C21 | 110.8° | 55.0° |
| N27 | C23 | C22 | H5 | 129.0° | 175.0° |
| N27 | C23 | C22 | H6 | 9.4° | 65.0° |
| N27 | C23 | N24 | H17 | 179.9° | 179.9° |
| C23 | C22 | C21 | H5 | 120.2° | 120.0° |
| C23 | C22 | C21 | H6 | 120.2° | 120.0° |
| C23 | C22 | C21 | C20 | 174.2° | 180.0° |
| C23 | C22 | C21 | H3 | 65.6° | 60.0° |
| C23 | C22 | C21 | H4 | 54.0° | 60.0° |
| C23 | C22 | H5 | H6 | 119.5° | 120.0° |
| C22 | C23 | N24 | H17 | 0.8° | 0.3° |
| C15 | C14 | C17 | N19 | 176.5° | 180.0° |
| C15 | C14 | C17 | O18 | 4.4° | 0.0° |
| C14 | C15 | C16 | H15 | 178.1° | 179.7° |
| C14 | C17 | N19 | O18 | 179.1° | 180.0° |
| C14 | C17 | N19 | C20 | 177.7° | 180.0° |
| C17 | C14 | C15 | H1 | 0.2° | 0.0° |
| C14 | C17 | N19 | H16 | 2.4° | 0.0° |
| C22 | C21 | C20 | H3 | 120.2° | 120.0° |
| C22 | C21 | C20 | H4 | 120.2° | 120.0° |
| C22 | C21 | C20 | N19 | 68.6° | 65.0° |
| C22 | C21 | C20 | C28 | 176.4° | 175.0° |
| C22 | C21 | C20 | H2 | 56.6° | 55.0° |
| C22 | C21 | H3 | H4 | 119.5° | 119.9° |
| C21 | C22 | H5 | H6 | 119.5° | 120.0° |
| C21 | C20 | N19 | C17 | 104.2° | 155.0° |
| C21 | C20 | N19 | C28 | 109.9° | 120.0° |
| C21 | C20 | N19 | H2 | 124.4° | 120.0° |
| C21 | C20 | C28 | O29 | 88.7° | 120.0° |
| C21 | C20 | C28 | H2 | 119.7° | 120.0° |
| C21 | C20 | C28 | O30 | 90.0° | 60.0° |
| C20 | C21 | H3 | H4 | 119.5° | 120.0° |
| C20 | C21 | C22 | H5 | 54.0° | 60.0° |
| C20 | C21 | C22 | H6 | 65.6° | 60.0° |
| C21 | C20 | N19 | H16 | 75.8° | 25.0° |
| C17 | N19 | C20 | H16 | 180.0° | 180.0° |
| C17 | N19 | C20 | C28 | 145.9° | 85.0° |
| C17 | N19 | C20 | H2 | 20.2° | 35.0° |
| N19 | C20 | C28 | O29 | 25.4° | 0.0° |
| C20 | N19 | C17 | O18 | 1.4° | 0.0° |
| N19 | C20 | C28 | H2 | 126.3° | 120.0° |
| N19 | C20 | C28 | O30 | 156.0° | 180.0° |
| N19 | C20 | C21 | H3 | 171.2° | 55.0° |
| N19 | C20 | C21 | H4 | 51.6° | 175.0° |
| O29 | C28 | C20 | O30 | 178.7° | 180.0° |
| O29 | C28 | C20 | H2 | 151.7° | 120.0° |
| O29 | C28 | O30 | H18 | 0.0° | 0.0° |
| O18 | C17 | N19 | H16 | 178.5° | 180.0° |
| C28 | C20 | C21 | H3 | 56.2° | 65.0° |
| C28 | C20 | C21 | H4 | 63.4° | 55.0° |
| C28 | C20 | N19 | H16 | 34.1° | 95.0° |
| C20 | C28 | O30 | H18 | 178.7° | 180.0° |
| O30 | C28 | C20 | H2 | 29.7° | 60.0° |
| H1 | C15 | C16 | H15 | 1.9° | 0.0° |
| H2 | C20 | C21 | H3 | 63.6° | 175.0° |
| H2 | C20 | C21 | H4 | 176.7° | 65.0° |
| H2 | C20 | N19 | H16 | 159.8° | 145.0° |
| H3 | C21 | C22 | H5 | 174.2° | 180.0° |
| H3 | C21 | C22 | H6 | 54.5° | 60.0° |
| H4 | C21 | C22 | H5 | 66.1° | 60.0° |
| H4 | C21 | C22 | H6 | 174.2° | 180.0° |
| H11 | C06 | N07 | H12 | 6.2° | 141.9° |
