6K4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | O5 | sing | 1.43Å | 1.43Å | |
| C4 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.58Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N6 | sing | 1.46Å | 1.50Å | |
| N6 | C7 | sing | 1.36Å | 1.37Å | Aromatic |
| N6 | C34 | sing | 1.37Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.37Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C34 | N33 | doub | 1.33Å | 1.32Å | Aromatic |
| C34 | C28 | sing | 1.41Å | 1.47Å | Aromatic |
| N33 | C31 | sing | 1.32Å | 1.39Å | Aromatic |
| N13 | C14 | doub | 1.32Å | 1.36Å | Aromatic |
| N13 | C12 | sing | 1.32Å | 1.35Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.44Å | Aromatic |
| CL | C23 | sing | 1.74Å | 1.73Å | |
| O18 | C17 | doub | 1.21Å | 1.23Å | |
| C23 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.43Å | Aromatic |
| C17 | C19 | sing | 1.51Å | 1.51Å | |
| C17 | N16 | sing | 1.35Å | 1.35Å | |
| C20 | C19 | sing | 1.51Å | 1.51Å | |
| C20 | N26 | doub | 1.32Å | 1.40Å | Aromatic |
| C8 | C28 | sing | 1.47Å | 1.45Å | Aromatic |
| C8 | C9 | sing | 1.47Å | 1.46Å | |
| C15 | N16 | sing | 1.40Å | 1.39Å | |
| C15 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| N32 | C31 | sing | 1.39Å | 1.36Å | |
| C31 | N30 | doub | 1.33Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C9 | sing | 1.48Å | 1.48Å | |
| C25 | N26 | sing | 1.32Å | 1.36Å | Aromatic |
| C9 | O10 | doub | 1.22Å | 1.18Å | |
| N30 | C29 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| O5 | H12 | sing | 0.97Å | 0.95Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N16 | H15 | sing | 0.97Å | 1.00Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| N32 | H21 | sing | 0.97Å | 1.00Å | |
| N32 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C4 | C2 | 107.5° | 109.5° |
| O5 | C4 | H1 | 110.0° | 109.4° |
| O5 | C4 | H2 | 110.0° | 109.4° |
| C4 | O5 | H12 | 109.5° | 114.0° |
| C4 | C2 | C1 | 104.5° | 109.5° |
| C4 | C2 | C3 | 113.8° | 109.5° |
| C4 | C2 | N6 | 111.1° | 109.5° |
| C2 | C4 | H1 | 110.0° | 109.5° |
| C2 | C4 | H2 | 110.0° | 109.5° |
| C1 | C2 | C3 | 109.4° | 109.5° |
| C1 | C2 | N6 | 106.1° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.4° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.4° | 109.5° |
| C3 | C2 | N6 | 111.2° | 109.4° |
| C2 | C3 | H9 | 109.5° | 109.5° |
| C2 | C3 | H10 | 109.5° | 109.5° |
| C2 | C3 | H11 | 109.4° | 109.5° |
| C2 | N6 | C7 | 129.6° | 124.7° |
| C2 | N6 | C34 | 121.8° | 124.7° |
| C7 | N6 | C34 | 108.7° | 110.6° |
| N6 | C7 | C8 | 111.7° | 109.7° |
| N6 | C7 | H3 | 124.2° | 125.1° |
| N6 | C34 | N33 | 133.0° | 134.1° |
| N6 | C34 | C28 | 107.5° | 107.5° |
| C7 | C8 | C28 | 105.7° | 106.3° |
| C7 | C8 | C9 | 124.7° | 126.9° |
| C8 | C7 | H3 | 124.2° | 125.2° |
| C21 | C22 | C23 | 120.5° | 118.4° |
| C22 | C21 | C20 | 118.2° | 119.2° |
| C22 | C21 | H4 | 120.9° | 120.5° |
| C21 | C22 | H5 | 119.7° | 120.8° |
| C22 | C23 | CL | 118.1° | 120.4° |
| C22 | C23 | C25 | 120.3° | 119.1° |
| C23 | C22 | H5 | 119.7° | 120.8° |
| C21 | C20 | C19 | 116.3° | 119.6° |
| C21 | C20 | N26 | 121.4° | 120.8° |
| C20 | C21 | H4 | 120.9° | 120.4° |
| N33 | C34 | C28 | 119.5° | 118.5° |
| C34 | N33 | C31 | 120.4° | 120.5° |
| C34 | C28 | C8 | 106.2° | 105.9° |
| C34 | C28 | C29 | 117.8° | 119.0° |
| N33 | C31 | N32 | 119.2° | 118.8° |
| N33 | C31 | N30 | 121.7° | 122.4° |
| C14 | N13 | C12 | 123.5° | 121.9° |
| N13 | C14 | C15 | 117.2° | 121.0° |
| N13 | C14 | H14 | 121.4° | 119.5° |
| N13 | C12 | C11 | 121.0° | 120.7° |
| N13 | C12 | H13 | 119.5° | 119.7° |
| C14 | C15 | N16 | 115.6° | 120.4° |
| C14 | C15 | C27 | 120.3° | 119.1° |
| C15 | C14 | H14 | 121.4° | 119.5° |
| CL | C23 | C25 | 121.6° | 120.5° |
| O18 | C17 | C19 | 124.8° | 120.0° |
| O18 | C17 | N16 | 122.2° | 120.0° |
| C23 | C25 | N26 | 117.8° | 120.8° |
| C23 | C25 | H18 | 121.1° | 119.6° |
| C12 | C11 | C27 | 117.4° | 119.0° |
| C12 | C11 | C9 | 120.1° | 120.5° |
| C11 | C12 | H13 | 119.5° | 119.6° |
| C19 | C17 | N16 | 113.0° | 120.0° |
| C17 | C19 | C20 | 113.3° | 109.5° |
| C17 | C19 | H16 | 108.5° | 109.5° |
| C17 | C19 | H17 | 108.5° | 109.5° |
| C17 | N16 | C15 | 126.0° | 120.0° |
| C17 | N16 | H15 | 117.0° | 120.0° |
| C19 | C20 | N26 | 122.2° | 119.6° |
| C20 | C19 | H16 | 108.5° | 109.5° |
| C20 | C19 | H17 | 108.5° | 109.5° |
| C20 | N26 | C25 | 121.7° | 121.7° |
| C28 | C8 | C9 | 129.7° | 126.8° |
| C8 | C28 | C29 | 135.8° | 135.1° |
| C8 | C9 | C11 | 119.3° | 120.0° |
| C8 | C9 | O10 | 120.6° | 120.1° |
| N16 | C15 | C27 | 124.1° | 120.4° |
| C15 | N16 | H15 | 117.0° | 120.0° |
| C15 | C27 | C11 | 120.4° | 118.2° |
| C15 | C27 | H19 | 119.8° | 120.9° |
| N32 | C31 | N30 | 119.1° | 118.8° |
| C31 | N32 | H21 | 109.5° | 120.0° |
| C31 | N32 | H22 | 109.5° | 120.0° |
| C31 | N30 | C29 | 119.7° | 121.0° |
| C28 | C29 | N30 | 120.9° | 118.6° |
| C28 | C29 | H20 | 119.6° | 120.7° |
| C27 | C11 | C9 | 122.3° | 120.5° |
| C11 | C27 | H19 | 119.8° | 120.9° |
| C11 | C9 | O10 | 120.1° | 120.0° |
| N26 | C25 | H18 | 121.1° | 119.6° |
| N30 | C29 | H20 | 119.6° | 120.7° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.5° | 109.4° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.5° |
| H9 | C3 | H11 | 109.5° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.4° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H21 | N32 | H22 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C4 | C2 | H1 | 119.7° | 120.0° |
| O5 | C4 | C2 | H2 | 119.7° | 120.0° |
| O5 | C4 | C2 | C1 | 176.4° | 60.0° |
| O5 | C4 | C2 | C3 | 64.3° | 60.0° |
| O5 | C4 | C2 | N6 | 62.3° | 180.0° |
| O5 | C4 | H1 | H2 | 120.9° | 120.0° |
| C4 | C2 | C1 | C3 | 122.3° | 120.0° |
| C4 | C2 | C1 | N6 | 117.6° | 120.0° |
| C4 | C2 | C3 | N6 | 126.5° | 120.0° |
| C4 | C2 | N6 | C7 | 7.9° | 0.0° |
| C4 | C2 | N6 | C34 | 171.8° | 179.6° |
| C2 | C4 | H1 | H2 | 120.9° | 120.1° |
| C4 | C2 | C1 | H6 | 180.0° | 60.0° |
| C4 | C2 | C1 | H7 | 60.0° | 180.0° |
| C4 | C2 | C1 | H8 | 60.0° | 60.0° |
| C4 | C2 | C3 | H9 | 180.0° | 59.9° |
| C4 | C2 | C3 | H10 | 60.0° | 180.0° |
| C4 | C2 | C3 | H11 | 60.0° | 60.0° |
| C2 | C4 | O5 | H12 | 180.0° | 180.0° |
| C1 | C2 | C3 | N6 | 117.0° | 120.0° |
| C1 | C2 | N6 | C7 | 120.9° | 120.0° |
| C1 | C2 | N6 | C34 | 58.7° | 60.4° |
| C1 | C2 | C4 | H1 | 56.7° | 60.0° |
| C1 | C2 | C4 | H2 | 63.9° | 180.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | C3 | H9 | 63.5° | 180.0° |
| C1 | C2 | C3 | H10 | 56.5° | 60.0° |
| C1 | C2 | C3 | H11 | 176.6° | 60.0° |
| C3 | C2 | N6 | C7 | 120.1° | 120.0° |
| C3 | C2 | N6 | C34 | 60.2° | 59.6° |
| C3 | C2 | C4 | H1 | 176.0° | 180.0° |
| C3 | C2 | C4 | H2 | 55.4° | 59.9° |
| C3 | C2 | C1 | H6 | 57.7° | 60.0° |
| C3 | C2 | C1 | H7 | 177.7° | 60.0° |
| C3 | C2 | C1 | H8 | 62.3° | 180.0° |
| C2 | C3 | H9 | H10 | 120.0° | 120.1° |
| C2 | C3 | H9 | H11 | 120.0° | 120.0° |
| C2 | C3 | H10 | H11 | 120.0° | 120.0° |
| C2 | N6 | C7 | C34 | 179.7° | 179.7° |
| C2 | N6 | C7 | C8 | 174.5° | 180.0° |
| C2 | N6 | C34 | N33 | 4.8° | 0.2° |
| C2 | N6 | C34 | C28 | 174.9° | 179.9° |
| N6 | C2 | C4 | H1 | 57.4° | 60.1° |
| N6 | C2 | C4 | H2 | 178.0° | 60.0° |
| C2 | N6 | C7 | H3 | 5.5° | 0.2° |
| N6 | C2 | C1 | H6 | 62.4° | 180.0° |
| N6 | C2 | C1 | H7 | 57.6° | 60.0° |
| N6 | C2 | C1 | H8 | 177.6° | 60.1° |
| N6 | C2 | C3 | H9 | 53.5° | 60.0° |
| N6 | C2 | C3 | H10 | 173.5° | 60.1° |
| N6 | C2 | C3 | H11 | 66.5° | 180.0° |
| N6 | C7 | C8 | H3 | 180.0° | 179.7° |
| C7 | N6 | C34 | N33 | 175.5° | 179.9° |
| C7 | N6 | C34 | C28 | 4.8° | 0.4° |
| N6 | C7 | C8 | C28 | 3.3° | 0.2° |
| N6 | C7 | C8 | C9 | 176.9° | 179.8° |
| C34 | N6 | C7 | C8 | 5.2° | 0.4° |
| N6 | C34 | N33 | C28 | 179.7° | 179.7° |
| N6 | C34 | N33 | C31 | 179.4° | 179.7° |
| N6 | C34 | C28 | C8 | 2.7° | 0.2° |
| N6 | C34 | C28 | C29 | 177.9° | 179.8° |
| C34 | N6 | C7 | H3 | 174.8° | 179.9° |
| C7 | C8 | C28 | C34 | 0.3° | 0.0° |
| C7 | C8 | C28 | C9 | 179.8° | 180.0° |
| C7 | C8 | C28 | C29 | 173.6° | 179.9° |
| C7 | C8 | C9 | C11 | 7.6° | 6.2° |
| C7 | C8 | C9 | O10 | 171.6° | 173.8° |
| C21 | C22 | C23 | H5 | 180.0° | 180.0° |
| C22 | C21 | C20 | H4 | 180.0° | 179.9° |
| C21 | C22 | C23 | CL | 178.7° | 180.0° |
| C21 | C22 | C23 | C25 | 0.1° | 0.0° |
| C22 | C21 | C20 | C19 | 179.8° | 180.0° |
| C22 | C21 | C20 | N26 | 0.4° | 0.2° |
| C23 | C22 | C21 | C20 | 0.6° | 0.1° |
| C22 | C23 | CL | C25 | 178.6° | 180.0° |
| C22 | C23 | C25 | N26 | 0.6° | 0.3° |
| C23 | C22 | C21 | H4 | 179.4° | 180.0° |
| C22 | C23 | C25 | H18 | 179.4° | 180.0° |
| C21 | C20 | C19 | C17 | 124.1° | 124.8° |
| C21 | C20 | C19 | N26 | 179.8° | 179.8° |
| C21 | C20 | N26 | C25 | 0.3° | 0.5° |
| C20 | C21 | C22 | H5 | 179.5° | 180.0° |
| C21 | C20 | C19 | H16 | 115.3° | 4.8° |
| C21 | C20 | C19 | H17 | 3.6° | 115.2° |
| N33 | C34 | C28 | C8 | 177.5° | 180.0° |
| C34 | N33 | C31 | N32 | 178.7° | 180.0° |
| C34 | N33 | C31 | N30 | 1.3° | 0.1° |
| N33 | C34 | C28 | C29 | 2.3° | 0.1° |
| C28 | C34 | N33 | C31 | 0.3° | 0.0° |
| C34 | C28 | C8 | C29 | 173.9° | 179.9° |
| C34 | C28 | C8 | C9 | 179.9° | 179.9° |
| C34 | C28 | C29 | N30 | 4.1° | 0.1° |
| C34 | C28 | C29 | H20 | 175.9° | 180.0° |
| N33 | C31 | N32 | N30 | 180.0° | 180.0° |
| N33 | C31 | N30 | C29 | 0.5° | 0.1° |
| N33 | C31 | N32 | H21 | 0.0° | 180.0° |
| N33 | C31 | N32 | H22 | 120.0° | 0.0° |
| N13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C14 | N13 | C12 | C11 | 0.8° | 0.3° |
| N13 | C14 | C15 | N16 | 179.6° | 180.0° |
| N13 | C14 | C15 | C27 | 0.8° | 0.2° |
| C14 | N13 | C12 | H13 | 179.2° | 179.9° |
| C12 | N13 | C14 | C15 | 2.1° | 0.0° |
| N13 | C12 | C11 | H13 | 180.0° | 179.8° |
| N13 | C12 | C11 | C27 | 1.8° | 0.2° |
| N13 | C12 | C11 | C9 | 177.7° | 179.7° |
| C12 | N13 | C14 | H14 | 177.9° | 180.0° |
| C14 | C15 | N16 | C17 | 145.0° | 147.4° |
| C14 | C15 | N16 | C27 | 179.5° | 179.7° |
| C14 | C15 | C27 | C11 | 1.8° | 0.3° |
| C14 | C15 | N16 | H15 | 35.0° | 32.6° |
| C14 | C15 | C27 | H19 | 178.2° | 179.7° |
| CL | C23 | C25 | N26 | 177.9° | 179.7° |
| CL | C23 | C22 | H5 | 1.3° | 0.0° |
| CL | C23 | C25 | H18 | 2.1° | 0.0° |
| O18 | C17 | C19 | N16 | 179.2° | 180.0° |
| O18 | C17 | C19 | C20 | 7.1° | 0.0° |
| O18 | C17 | N16 | C15 | 0.7° | 5.3° |
| O18 | C17 | N16 | H15 | 179.3° | 174.7° |
| O18 | C17 | C19 | H16 | 127.6° | 120.0° |
| O18 | C17 | C19 | H17 | 113.5° | 120.0° |
| C23 | C25 | N26 | C20 | 0.8° | 0.5° |
| C23 | C25 | N26 | H18 | 180.0° | 179.7° |
| C25 | C23 | C22 | H5 | 180.0° | 180.0° |
| C12 | C11 | C9 | C8 | 41.6° | 150.1° |
| C12 | C11 | C27 | C15 | 3.0° | 0.0° |
| C12 | C11 | C27 | C9 | 175.8° | 179.9° |
| C12 | C11 | C9 | O10 | 139.2° | 29.9° |
| C12 | C11 | C27 | H19 | 177.0° | 180.0° |
| C17 | C19 | C20 | H16 | 120.6° | 120.0° |
| C17 | C19 | C20 | H17 | 120.6° | 120.0° |
| C17 | C19 | C20 | N26 | 56.0° | 55.0° |
| C19 | C17 | N16 | C15 | 178.4° | 174.7° |
| C19 | C17 | N16 | H15 | 1.6° | 5.3° |
| C17 | C19 | H16 | H17 | 118.3° | 120.0° |
| N16 | C17 | C19 | C20 | 173.8° | 180.0° |
| C17 | N16 | C15 | H15 | 180.0° | 180.0° |
| C17 | N16 | C15 | C27 | 34.6° | 32.8° |
| N16 | C17 | C19 | H16 | 53.2° | 60.0° |
| N16 | C17 | C19 | H17 | 65.6° | 60.0° |
| C19 | C20 | N26 | C25 | 179.5° | 179.7° |
| C19 | C20 | C21 | H4 | 0.2° | 0.1° |
| C20 | C19 | H16 | H17 | 118.3° | 120.0° |
| N26 | C20 | C21 | H4 | 179.6° | 179.7° |
| N26 | C20 | C19 | H16 | 64.6° | 175.0° |
| N26 | C20 | C19 | H17 | 176.6° | 65.0° |
| C20 | N26 | C25 | H18 | 179.2° | 179.7° |
| C28 | C8 | C9 | C11 | 172.1° | 173.8° |
| C28 | C8 | C9 | O10 | 8.6° | 6.1° |
| C8 | C28 | C29 | N30 | 177.5° | 180.0° |
| C28 | C8 | C7 | H3 | 176.7° | 179.9° |
| C8 | C28 | C29 | H20 | 2.5° | 0.1° |
| C9 | C8 | C28 | C29 | 6.2° | 0.0° |
| C8 | C9 | C11 | C27 | 142.8° | 29.8° |
| C8 | C9 | C11 | O10 | 179.2° | 180.0° |
| C9 | C8 | C7 | H3 | 3.1° | 0.1° |
| N16 | C15 | C27 | C11 | 177.7° | 180.0° |
| N16 | C15 | C14 | H14 | 0.3° | 0.0° |
| N16 | C15 | C27 | H19 | 2.2° | 0.0° |
| C15 | C27 | C11 | H19 | 180.0° | 180.0° |
| C15 | C27 | C11 | C9 | 178.8° | 180.0° |
| C27 | C15 | C14 | H14 | 179.2° | 179.7° |
| C27 | C15 | N16 | H15 | 145.4° | 147.1° |
| N32 | C31 | N30 | C29 | 179.5° | 180.0° |
| C31 | N32 | H21 | H22 | 120.0° | 180.0° |
| C31 | N30 | C29 | C28 | 3.3° | 0.0° |
| C31 | N30 | C29 | H20 | 176.8° | 180.0° |
| N30 | C31 | N32 | H21 | 180.0° | 0.1° |
| N30 | C31 | N32 | H22 | 60.0° | 180.0° |
| C28 | C29 | N30 | H20 | 180.0° | 179.9° |
| C27 | C11 | C9 | O10 | 36.5° | 150.2° |
| C27 | C11 | C12 | H13 | 178.2° | 179.9° |
| C9 | C11 | C12 | H13 | 2.3° | 0.1° |
| C9 | C11 | C27 | H19 | 1.2° | 0.1° |
| H1 | C4 | O5 | H12 | 60.3° | 60.0° |
| H2 | C4 | O5 | H12 | 60.3° | 60.0° |
| H4 | C21 | C22 | H5 | 0.5° | 0.1° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
| H9 | C3 | H10 | H11 | 120.0° | 120.0° |
