6FK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N4 | sing | 1.40Å | 1.42Å | |
| N4 | C9 | sing | 1.35Å | 1.33Å | |
| N4 | C8 | sing | 1.39Å | 1.35Å | |
| C10 | C9 | sing | 1.51Å | 1.49Å | |
| C9 | O11 | doub | 1.21Å | 1.22Å | |
| N7 | C8 | doub | 1.31Å | 1.34Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.34Å | Aromatic |
| C8 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| O6 | C6 | doub | 1.22Å | 1.24Å | |
| C5 | C6 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | doub | 1.39Å | 1.49Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.49Å | |
| N9 | C4 | sing | 1.36Å | 1.33Å | Aromatic |
| C1' | C2' | sing | 1.54Å | 1.50Å | |
| C1' | O4' | sing | 1.45Å | 1.44Å | |
| C6 | N1 | sing | 1.34Å | 1.33Å | |
| C4 | N3 | sing | 1.37Å | 1.34Å | |
| C2' | C3' | sing | 1.55Å | 1.50Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| N1 | C2 | doub | 1.32Å | 1.35Å | |
| N3 | C2 | sing | 1.36Å | 1.35Å | |
| C3' | C4' | sing | 1.54Å | 1.50Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| O5' | P | sing | 1.61Å | 1.62Å | |
| P | OP2 | doub | 1.48Å | 1.52Å | |
| P | OP1 | sing | 1.61Å | 1.51Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| OP1 | H1 | sing | 0.97Å | 0.95Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| O3' | H6 | sing | 0.97Å | 0.95Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| OP3 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 118.7° | 120.1° |
| C15 | C14 | C13 | 120.9° | 120.1° |
| C15 | C14 | H17 | 119.6° | 119.9° |
| C14 | C15 | H18 | 120.7° | 120.0° |
| C15 | C16 | C17 | 120.5° | 120.1° |
| C16 | C15 | H18 | 120.6° | 119.9° |
| C15 | C16 | H19 | 119.7° | 120.0° |
| C14 | C13 | C12 | 120.4° | 119.9° |
| C14 | C13 | H16 | 119.8° | 120.0° |
| C13 | C14 | H17 | 119.6° | 120.0° |
| C16 | C17 | C12 | 120.7° | 119.9° |
| C17 | C16 | H19 | 119.7° | 120.0° |
| C16 | C17 | H20 | 119.7° | 120.0° |
| C13 | C12 | C17 | 118.8° | 119.9° |
| C13 | C12 | N4 | 120.8° | 120.1° |
| C12 | C13 | H16 | 119.8° | 120.0° |
| C17 | C12 | N4 | 120.4° | 120.1° |
| C12 | C17 | H20 | 119.7° | 120.1° |
| C12 | N4 | C9 | 124.3° | 120.0° |
| C12 | N4 | C8 | 118.2° | 120.0° |
| C9 | N4 | C8 | 117.5° | 120.0° |
| N4 | C9 | C10 | 114.9° | 120.0° |
| N4 | C9 | O11 | 122.8° | 120.0° |
| N4 | C8 | N7 | 121.3° | 125.3° |
| N4 | C8 | N9 | 119.9° | 125.3° |
| C10 | C9 | O11 | 122.3° | 120.0° |
| C9 | C10 | H13 | 109.5° | 109.5° |
| C9 | C10 | H14 | 109.5° | 109.5° |
| C9 | C10 | H15 | 109.5° | 109.5° |
| C8 | N7 | C5 | 101.9° | 109.1° |
| N7 | C8 | N9 | 118.8° | 109.4° |
| N7 | C5 | C6 | 133.9° | 134.3° |
| N7 | C5 | C4 | 108.7° | 107.5° |
| C8 | N9 | C1' | 126.9° | 126.3° |
| C8 | N9 | C4 | 103.8° | 107.5° |
| O6 | C6 | C5 | 120.8° | 120.7° |
| O6 | C6 | N1 | 121.4° | 120.7° |
| C6 | C5 | C4 | 117.4° | 118.1° |
| C5 | C6 | N1 | 117.7° | 118.6° |
| C5 | C4 | N9 | 106.8° | 106.5° |
| C5 | C4 | N3 | 118.8° | 118.9° |
| C1' | N9 | C4 | 129.3° | 126.3° |
| N9 | C1' | C2' | 105.3° | 110.4° |
| N9 | C1' | O4' | 114.6° | 110.4° |
| N9 | C1' | H9 | 109.8° | 110.4° |
| N9 | C4 | N3 | 134.3° | 134.5° |
| C2' | C1' | O4' | 106.7° | 104.9° |
| C1' | C2' | C3' | 103.7° | 104.0° |
| C1' | C2' | H7 | 110.9° | 110.5° |
| C1' | C2' | H8 | 110.9° | 110.6° |
| C2' | C1' | H9 | 109.6° | 110.4° |
| C1' | O4' | C4' | 111.3° | 105.2° |
| O4' | C1' | H9 | 110.6° | 110.3° |
| C6 | N1 | C2 | 121.7° | 121.4° |
| C4 | N3 | C2 | 119.4° | 120.5° |
| C4 | N3 | H10 | 120.3° | 119.8° |
| C2' | C3' | C4' | 105.8° | 104.1° |
| C2' | C3' | O3' | 109.9° | 110.5° |
| C2' | C3' | H5 | 109.3° | 110.7° |
| C3' | C2' | H7 | 110.9° | 110.5° |
| C3' | C2' | H8 | 110.9° | 110.6° |
| O4' | C4' | C3' | 103.0° | 104.9° |
| O4' | C4' | C5' | 115.8° | 110.4° |
| O4' | C4' | H4 | 110.5° | 110.4° |
| N1 | C2 | N3 | 124.9° | 122.5° |
| N1 | C2 | N2 | 117.4° | 118.8° |
| N3 | C2 | N2 | 117.7° | 118.7° |
| C2 | N3 | H10 | 120.3° | 119.7° |
| C4' | C3' | O3' | 111.7° | 110.5° |
| C3' | C4' | C5' | 108.5° | 110.4° |
| C3' | C4' | H4 | 109.5° | 110.4° |
| C4' | C3' | H5 | 109.4° | 110.5° |
| O3' | C3' | H5 | 110.6° | 110.5° |
| C3' | O3' | H6 | 109.5° | 114.0° |
| C2 | N2 | H11 | 120.0° | 120.0° |
| C2 | N2 | H12 | 120.0° | 120.0° |
| C4' | C5' | O5' | 112.8° | 109.5° |
| C4' | C5' | H2 | 108.6° | 109.5° |
| C4' | C5' | H3 | 108.7° | 109.5° |
| C5' | C4' | H4 | 109.2° | 110.3° |
| C5' | O5' | P | 120.8° | 123.0° |
| O5' | C5' | H2 | 108.6° | 109.4° |
| O5' | C5' | H3 | 108.6° | 109.4° |
| O5' | P | OP2 | 111.0° | 109.5° |
| O5' | P | OP1 | 112.3° | 109.5° |
| O5' | P | OP3 | 103.2° | 109.5° |
| OP2 | P | OP1 | 113.1° | 109.5° |
| OP2 | P | OP3 | 108.1° | 109.5° |
| OP1 | P | OP3 | 108.6° | 109.4° |
| P | OP1 | H1 | 109.5° | 114.0° |
| P | OP3 | H21 | 109.5° | 114.0° |
| H2 | C5' | H3 | 109.5° | 109.5° |
| H7 | C2' | H8 | 109.5° | 110.5° |
| H11 | N2 | H12 | 120.0° | 120.0° |
| H13 | C10 | H14 | 109.4° | 109.5° |
| H13 | C10 | H15 | 109.5° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H18 | 180.0° | 180.0° |
| C15 | C14 | C13 | H17 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.3° |
| C15 | C14 | C13 | C12 | 0.2° | 0.1° |
| C15 | C14 | C13 | H16 | 179.8° | 180.0° |
| C14 | C15 | C16 | H19 | 179.8° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C16 | C17 | H19 | 180.0° | 179.7° |
| C15 | C16 | C17 | C12 | 0.4° | 0.6° |
| C16 | C15 | C14 | H17 | 180.0° | 180.0° |
| C15 | C16 | C17 | H20 | 179.6° | 180.0° |
| C14 | C13 | C12 | H16 | 180.0° | 179.9° |
| C14 | C13 | C12 | C17 | 0.4° | 0.3° |
| C14 | C13 | C12 | N4 | 179.7° | 180.0° |
| C13 | C14 | C15 | H18 | 179.9° | 180.0° |
| C16 | C17 | C12 | C13 | 0.5° | 0.6° |
| C16 | C17 | C12 | H20 | 180.0° | 179.4° |
| C16 | C17 | C12 | N4 | 179.8° | 179.8° |
| C17 | C16 | C15 | H18 | 179.8° | 179.7° |
| C13 | C12 | C17 | N4 | 179.3° | 179.6° |
| C13 | C12 | N4 | C9 | 24.9° | 6.9° |
| C13 | C12 | N4 | C8 | 155.9° | 173.0° |
| C12 | C13 | C14 | H17 | 179.8° | 180.0° |
| C13 | C12 | C17 | H20 | 179.4° | 180.0° |
| C17 | C12 | N4 | C9 | 155.8° | 172.7° |
| C17 | C12 | N4 | C8 | 23.4° | 7.4° |
| C17 | C12 | C13 | H16 | 179.6° | 179.7° |
| C12 | C17 | C16 | H19 | 179.6° | 179.7° |
| C12 | N4 | C9 | C8 | 179.2° | 179.9° |
| C12 | N4 | C9 | C10 | 86.9° | 175.4° |
| C12 | N4 | C9 | O11 | 94.2° | 4.5° |
| C12 | N4 | C8 | N7 | 0.1° | 94.8° |
| C12 | N4 | C8 | N9 | 178.2° | 85.8° |
| N4 | C12 | C13 | H16 | 0.3° | 0.1° |
| N4 | C12 | C17 | H20 | 0.1° | 0.3° |
| N4 | C9 | C10 | O11 | 178.9° | 179.9° |
| C9 | N4 | C8 | N7 | 179.3° | 85.3° |
| C9 | N4 | C8 | N9 | 1.0° | 94.1° |
| N4 | C9 | C10 | H13 | 178.9° | 5.0° |
| N4 | C9 | C10 | H14 | 61.1° | 125.0° |
| N4 | C9 | C10 | H15 | 58.9° | 114.9° |
| C8 | N4 | C9 | C10 | 93.9° | 4.7° |
| C8 | N4 | C9 | O11 | 85.0° | 175.3° |
| N4 | C8 | N7 | N9 | 178.3° | 179.5° |
| N4 | C8 | N7 | C5 | 179.4° | 179.9° |
| N4 | C8 | N9 | C1' | 1.8° | 0.3° |
| N4 | C8 | N9 | C4 | 179.8° | 180.0° |
| C9 | C10 | H13 | H14 | 120.0° | 120.0° |
| C9 | C10 | H13 | H15 | 120.0° | 120.0° |
| C9 | C10 | H14 | H15 | 120.0° | 120.0° |
| O11 | C9 | C10 | H13 | 0.0° | 174.9° |
| O11 | C9 | C10 | H14 | 120.0° | 54.9° |
| O11 | C9 | C10 | H15 | 120.0° | 65.1° |
| C8 | N7 | C5 | C6 | 179.7° | 179.8° |
| C8 | N7 | C5 | C4 | 0.3° | 0.2° |
| N7 | C8 | N9 | C1' | 179.9° | 179.9° |
| N7 | C8 | N9 | C4 | 1.5° | 0.4° |
| C5 | N7 | C8 | N9 | 1.1° | 0.4° |
| N7 | C5 | C6 | O6 | 0.1° | 0.1° |
| N7 | C5 | C6 | C4 | 180.0° | 180.0° |
| N7 | C5 | C4 | N9 | 0.5° | 0.0° |
| N7 | C5 | C6 | N1 | 179.9° | 180.0° |
| N7 | C5 | C4 | N3 | 179.8° | 180.0° |
| C8 | N9 | C4 | C5 | 1.1° | 0.3° |
| C8 | N9 | C1' | C4 | 178.0° | 179.6° |
| C8 | N9 | C1' | C2' | 116.4° | 104.1° |
| C8 | N9 | C1' | O4' | 126.7° | 140.4° |
| C8 | N9 | C4 | N3 | 179.8° | 179.8° |
| C8 | N9 | C1' | H9 | 1.6° | 18.2° |
| O6 | C6 | C5 | N1 | 179.8° | 179.9° |
| O6 | C6 | C5 | C4 | 179.9° | 179.9° |
| O6 | C6 | N1 | C2 | 179.7° | 180.0° |
| C6 | C5 | C4 | N9 | 179.5° | 180.0° |
| C6 | C5 | C4 | N3 | 0.2° | 0.0° |
| C5 | C6 | N1 | C2 | 0.1° | 0.1° |
| C5 | C4 | N9 | C1' | 179.5° | 180.0° |
| C5 | C4 | N9 | N3 | 179.1° | 180.0° |
| C4 | C5 | C6 | N1 | 0.1° | 0.0° |
| C5 | C4 | N3 | C2 | 0.0° | 0.0° |
| C5 | C4 | N3 | H10 | 180.0° | 180.0° |
| N9 | C1' | C2' | O4' | 122.2° | 118.9° |
| N9 | C1' | C2' | H9 | 118.1° | 122.3° |
| N9 | C1' | O4' | H9 | 124.8° | 122.2° |
| C1' | N9 | C4 | N3 | 1.4° | 0.1° |
| N9 | C1' | C2' | C3' | 110.0° | 142.8° |
| N9 | C1' | O4' | C4' | 123.5° | 159.3° |
| N9 | C1' | C2' | H7 | 131.0° | 24.2° |
| N9 | C1' | C2' | H8 | 9.1° | 98.5° |
| C4 | N9 | C1' | C2' | 61.7° | 75.5° |
| C4 | N9 | C1' | O4' | 55.3° | 40.0° |
| N9 | C4 | N3 | C2 | 179.1° | 180.0° |
| C4 | N9 | C1' | H9 | 179.6° | 162.1° |
| N9 | C4 | N3 | H10 | 0.9° | 0.0° |
| C2' | C1' | O4' | H9 | 119.1° | 118.9° |
| C1' | C2' | C3' | H7 | 119.1° | 118.6° |
| C1' | C2' | C3' | H8 | 119.1° | 118.8° |
| C2' | C1' | O4' | C4' | 7.4° | 40.4° |
| C1' | C2' | C3' | C4' | 26.5° | 0.0° |
| C1' | C2' | C3' | O3' | 147.3° | 118.6° |
| C1' | C2' | C3' | H5 | 91.2° | 118.7° |
| C1' | C2' | H7 | H8 | 122.7° | 122.7° |
| O4' | C1' | C2' | C3' | 12.2° | 23.9° |
| C1' | O4' | C4' | C3' | 23.8° | 40.4° |
| C1' | O4' | C4' | C5' | 142.0° | 159.3° |
| C1' | O4' | C4' | H4 | 93.1° | 78.5° |
| O4' | C1' | C2' | H7 | 106.9° | 94.7° |
| O4' | C1' | C2' | H8 | 131.3° | 142.6° |
| C6 | N1 | C2 | N3 | 0.3° | 0.1° |
| C6 | N1 | C2 | N2 | 180.0° | 180.0° |
| C4 | N3 | C2 | N1 | 0.2° | 0.0° |
| C4 | N3 | C2 | H10 | 180.0° | 180.0° |
| C4 | N3 | C2 | N2 | 180.0° | 180.0° |
| C2' | C3' | C4' | O4' | 30.8° | 24.0° |
| C2' | C3' | C4' | O3' | 119.5° | 118.6° |
| C2' | C3' | C4' | H5 | 117.7° | 118.8° |
| C2' | C3' | O3' | H5 | 120.8° | 122.8° |
| C2' | C3' | C4' | C5' | 154.1° | 142.9° |
| C2' | C3' | C4' | H4 | 86.8° | 95.0° |
| C2' | C3' | O3' | H6 | 180.0° | 65.4° |
| C3' | C2' | H7 | H8 | 122.7° | 122.7° |
| C3' | C2' | C1' | H9 | 132.0° | 94.9° |
| O4' | C4' | C3' | C5' | 123.3° | 118.9° |
| O4' | C4' | C3' | H4 | 117.6° | 118.9° |
| O4' | C4' | C3' | O3' | 150.4° | 142.5° |
| O4' | C4' | C5' | H4 | 125.5° | 122.3° |
| O4' | C4' | C5' | O5' | 54.4° | 67.9° |
| O4' | C4' | C5' | H2 | 174.8° | 52.0° |
| O4' | C4' | C5' | H3 | 66.1° | 172.1° |
| O4' | C4' | C3' | H5 | 86.9° | 94.9° |
| C4' | O4' | C1' | H9 | 111.7° | 78.5° |
| N1 | C2 | N3 | N2 | 179.7° | 179.9° |
| N1 | C2 | N3 | H10 | 179.8° | 180.0° |
| N1 | C2 | N2 | H11 | 0.0° | 180.0° |
| N1 | C2 | N2 | H12 | 180.0° | 0.1° |
| N3 | C2 | N2 | H11 | 179.8° | 0.1° |
| N3 | C2 | N2 | H12 | 0.3° | 180.0° |
| C4' | C3' | O3' | H5 | 122.1° | 122.6° |
| C3' | C4' | C5' | H4 | 119.3° | 122.2° |
| C3' | C4' | C5' | O5' | 169.6° | 176.6° |
| C3' | C4' | C5' | H2 | 70.0° | 63.5° |
| C3' | C4' | C5' | H3 | 49.1° | 56.6° |
| C4' | C3' | O3' | H6 | 62.9° | 180.0° |
| C4' | C3' | C2' | H7 | 92.5° | 118.6° |
| C4' | C3' | C2' | H8 | 145.6° | 118.8° |
| O3' | C3' | C4' | C5' | 86.4° | 98.6° |
| O3' | C3' | C4' | H4 | 32.7° | 23.6° |
| O3' | C3' | C2' | H7 | 28.2° | 122.8° |
| O3' | C3' | C2' | H8 | 93.6° | 0.1° |
| N2 | C2 | N3 | H10 | 0.1° | 0.1° |
| C2 | N2 | H11 | H12 | 180.0° | 179.9° |
| C4' | C5' | O5' | H2 | 120.5° | 120.0° |
| C4' | C5' | O5' | H3 | 120.5° | 120.1° |
| C4' | C5' | O5' | P | 168.0° | 180.0° |
| C4' | C5' | H2 | H3 | 118.5° | 120.1° |
| C5' | C4' | C3' | H5 | 36.4° | 24.0° |
| C5' | O5' | P | OP2 | 128.2° | 55.0° |
| C5' | O5' | P | OP1 | 0.5° | 175.0° |
| C5' | O5' | P | OP3 | 116.2° | 65.0° |
| O5' | C5' | H2 | H3 | 118.5° | 119.9° |
| O5' | C5' | C4' | H4 | 71.2° | 54.3° |
| O5' | P | OP2 | OP1 | 127.2° | 120.0° |
| O5' | P | OP2 | OP3 | 112.5° | 120.0° |
| O5' | P | OP1 | OP3 | 113.4° | 120.0° |
| O5' | P | OP1 | H1 | 126.5° | 180.0° |
| P | O5' | C5' | H2 | 71.5° | 60.0° |
| P | O5' | C5' | H3 | 47.5° | 59.9° |
| O5' | P | OP3 | H21 | 117.6° | 60.0° |
| OP2 | P | OP1 | OP3 | 120.0° | 120.0° |
| OP2 | P | OP1 | H1 | 0.0° | 60.0° |
| OP2 | P | OP3 | H21 | 0.0° | 180.0° |
| OP1 | P | OP3 | H21 | 123.1° | 60.0° |
| OP3 | P | OP1 | H1 | 120.0° | 60.0° |
| H2 | C5' | C4' | H4 | 49.3° | 174.3° |
| H3 | C5' | C4' | H4 | 168.3° | 65.7° |
| H4 | C4' | C3' | H5 | 155.5° | 146.2° |
| H5 | C3' | O3' | H6 | 59.2° | 57.4° |
| H5 | C3' | C2' | H7 | 149.8° | 0.1° |
| H5 | C3' | C2' | H8 | 27.9° | 122.5° |
| H7 | C2' | C1' | H9 | 12.9° | 146.5° |
| H8 | C2' | C1' | H9 | 109.0° | 23.8° |
| H13 | C10 | H14 | H15 | 120.0° | 120.0° |
| H16 | C13 | C14 | H17 | 0.2° | 0.1° |
| H17 | C14 | C15 | H18 | 0.0° | 0.0° |
| H18 | C15 | C16 | H19 | 0.2° | 0.0° |
| H19 | C16 | C17 | H20 | 0.5° | 0.2° |
