8LH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | P1 | doub | 1.48Å | 1.47Å | |
| O4 | P1 | sing | 1.61Å | 1.57Å | |
| P1 | O3 | sing | 1.61Å | 1.58Å | |
| P1 | O6 | sing | 1.61Å | 1.60Å | |
| O3 | C8 | sing | 1.34Å | 1.36Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| O6 | C9 | sing | 1.43Å | 1.43Å | |
| C8 | C6 | sing | 1.51Å | 1.55Å | |
| C8 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.55Å | 1.48Å | |
| C10 | O7 | sing | 1.44Å | 1.45Å | |
| O8 | C11 | sing | 1.43Å | 1.44Å | |
| C11 | C12 | sing | 1.54Å | 1.55Å | |
| C5 | O1 | sing | 1.43Å | 1.41Å | |
| O7 | C13 | sing | 1.44Å | 1.45Å | |
| O9 | C12 | sing | 1.43Å | 1.49Å | |
| C12 | C13 | sing | 1.55Å | 1.52Å | |
| C13 | N3 | sing | 1.47Å | 1.52Å | |
| C4 | N3 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | N4 | doub | 1.30Å | 1.33Å | Aromatic |
| N3 | C1 | sing | 1.37Å | 1.34Å | Aromatic |
| N4 | C2 | sing | 1.35Å | 1.34Å | Aromatic |
| C1 | C2 | doub | 1.41Å | 1.34Å | Aromatic |
| C1 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.36Å | Aromatic |
| N2 | C14 | doub | 1.32Å | 1.39Å | Aromatic |
| C3 | N5 | sing | 1.38Å | 1.33Å | |
| C3 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C14 | N1 | sing | 1.32Å | 1.40Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| O4 | H9 | sing | 0.97Å | 0.95Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| O8 | H14 | sing | 0.97Å | 0.95Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| O9 | H16 | sing | 0.97Å | 0.95Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | P1 | O4 | 115.2° | 109.5° |
| O5 | P1 | O3 | 113.7° | 109.4° |
| O5 | P1 | O6 | 108.4° | 109.5° |
| O4 | P1 | O3 | 102.3° | 109.5° |
| O4 | P1 | O6 | 110.5° | 109.5° |
| P1 | O4 | H9 | 109.5° | 114.0° |
| O3 | P1 | O6 | 106.4° | 109.5° |
| P1 | O3 | C8 | 122.6° | 117.0° |
| P1 | O6 | C9 | 119.2° | 123.0° |
| O3 | C8 | C6 | 113.8° | 120.0° |
| O3 | C8 | O2 | 124.1° | 120.0° |
| C7 | C6 | C8 | 110.7° | 109.5° |
| C7 | C6 | C5 | 111.8° | 109.5° |
| C7 | C6 | H5 | 107.6° | 109.5° |
| C6 | C7 | H6 | 109.5° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | C7 | H8 | 109.5° | 109.4° |
| O6 | C9 | C10 | 107.4° | 109.5° |
| O6 | C9 | H10 | 110.0° | 109.4° |
| O6 | C9 | H11 | 110.0° | 109.5° |
| C6 | C8 | O2 | 122.0° | 120.0° |
| C8 | C6 | C5 | 111.5° | 109.5° |
| C8 | C6 | H5 | 107.4° | 109.4° |
| C9 | C10 | C11 | 108.6° | 110.4° |
| C9 | C10 | O7 | 108.3° | 110.4° |
| C10 | C9 | H10 | 110.0° | 109.5° |
| C10 | C9 | H11 | 110.0° | 109.5° |
| C9 | C10 | H12 | 111.0° | 110.4° |
| C6 | C5 | O1 | 107.3° | 109.5° |
| C6 | C5 | H3 | 110.0° | 109.5° |
| C6 | C5 | H4 | 110.0° | 109.5° |
| C5 | C6 | H5 | 107.6° | 109.5° |
| C11 | C10 | O7 | 105.5° | 104.7° |
| C10 | C11 | O8 | 110.5° | 110.5° |
| C10 | C11 | C12 | 100.6° | 104.1° |
| C11 | C10 | H12 | 111.4° | 110.4° |
| C10 | C11 | H13 | 111.0° | 110.5° |
| C10 | O7 | C13 | 108.3° | 105.3° |
| O7 | C10 | H12 | 111.8° | 110.5° |
| O8 | C11 | C12 | 112.6° | 110.5° |
| O8 | C11 | H13 | 111.6° | 110.6° |
| C11 | O8 | H14 | 109.5° | 114.0° |
| C11 | C12 | O9 | 112.5° | 110.5° |
| C11 | C12 | C13 | 100.8° | 104.0° |
| C12 | C11 | H13 | 110.0° | 110.5° |
| C11 | C12 | H15 | 110.7° | 110.5° |
| C5 | O1 | H2 | 109.5° | 114.0° |
| O1 | C5 | H3 | 110.0° | 109.5° |
| O1 | C5 | H4 | 110.0° | 109.5° |
| O7 | C13 | C12 | 105.8° | 104.8° |
| O7 | C13 | N3 | 110.2° | 110.4° |
| O7 | C13 | H17 | 109.9° | 110.4° |
| O9 | C12 | C13 | 109.6° | 110.5° |
| O9 | C12 | H15 | 111.6° | 110.6° |
| C12 | O9 | H16 | 109.5° | 114.0° |
| C12 | C13 | N3 | 113.0° | 110.4° |
| C13 | C12 | H15 | 111.2° | 110.5° |
| C12 | C13 | H17 | 109.0° | 110.4° |
| C13 | N3 | C4 | 128.9° | 126.3° |
| C13 | N3 | C1 | 123.1° | 126.3° |
| N3 | C13 | H17 | 108.9° | 110.4° |
| N3 | C4 | N4 | 107.9° | 109.9° |
| C4 | N3 | C1 | 108.0° | 107.5° |
| N3 | C4 | H1 | 126.1° | 125.0° |
| C4 | N4 | C2 | 108.7° | 109.5° |
| N4 | C4 | H1 | 126.0° | 125.1° |
| N3 | C1 | C2 | 108.4° | 106.0° |
| N3 | C1 | N2 | 130.3° | 135.0° |
| N4 | C2 | C1 | 107.0° | 107.1° |
| N4 | C2 | C3 | 134.1° | 134.7° |
| C2 | C1 | N2 | 121.3° | 119.1° |
| C1 | C2 | C3 | 118.9° | 118.2° |
| C1 | N2 | C14 | 120.5° | 120.7° |
| C2 | C3 | N5 | 119.3° | 120.7° |
| C2 | C3 | N1 | 121.8° | 118.4° |
| N2 | C14 | N1 | 117.3° | 122.5° |
| N2 | C14 | H18 | 121.3° | 118.8° |
| N5 | C3 | N1 | 119.0° | 120.8° |
| C3 | N5 | H19 | 109.5° | 120.0° |
| C3 | N5 | H20 | 109.5° | 119.9° |
| C3 | N1 | C14 | 120.0° | 121.2° |
| N1 | C14 | H18 | 121.3° | 118.8° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H8 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.4° |
| H19 | N5 | H20 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | P1 | O4 | O3 | 123.8° | 120.0° |
| O5 | P1 | O4 | O6 | 123.2° | 120.0° |
| O5 | P1 | O3 | O6 | 119.2° | 120.0° |
| O5 | P1 | O3 | C8 | 177.3° | 55.0° |
| O5 | P1 | O6 | C9 | 70.2° | 55.1° |
| O5 | P1 | O4 | H9 | 0.0° | 179.9° |
| O4 | P1 | O3 | O6 | 116.0° | 120.0° |
| O4 | P1 | O3 | C8 | 52.5° | 65.0° |
| O4 | P1 | O6 | C9 | 162.7° | 65.0° |
| O3 | P1 | O6 | C9 | 52.4° | 175.0° |
| P1 | O3 | C8 | C6 | 170.1° | 180.0° |
| P1 | O3 | C8 | O2 | 10.8° | 0.0° |
| O3 | P1 | O4 | H9 | 123.8° | 60.0° |
| O6 | P1 | O3 | C8 | 63.5° | 175.0° |
| P1 | O6 | C9 | C10 | 175.2° | 180.0° |
| O6 | P1 | O4 | H9 | 123.2° | 60.0° |
| P1 | O6 | C9 | H10 | 65.1° | 60.0° |
| P1 | O6 | C9 | H11 | 55.6° | 59.9° |
| O3 | C8 | C6 | C7 | 76.8° | 60.0° |
| O3 | C8 | C6 | O2 | 179.1° | 180.0° |
| O3 | C8 | C6 | C5 | 158.0° | 180.0° |
| O3 | C8 | C6 | H5 | 40.4° | 60.0° |
| C7 | C6 | C8 | C5 | 125.2° | 120.1° |
| C7 | C6 | C8 | H5 | 117.2° | 120.0° |
| C7 | C6 | C8 | O2 | 104.1° | 120.0° |
| C7 | C6 | C5 | H5 | 117.9° | 120.0° |
| C7 | C6 | C5 | O1 | 62.4° | 65.0° |
| C7 | C6 | C5 | H3 | 57.2° | 55.0° |
| C7 | C6 | C5 | H4 | 177.9° | 175.0° |
| C6 | C7 | H6 | H7 | 120.0° | 120.0° |
| C6 | C7 | H6 | H8 | 120.0° | 119.9° |
| C6 | C7 | H7 | H8 | 120.0° | 120.0° |
| O6 | C9 | C10 | H10 | 119.7° | 120.0° |
| O6 | C9 | C10 | H11 | 119.6° | 120.0° |
| O6 | C9 | C10 | C11 | 170.7° | 175.1° |
| O6 | C9 | C10 | O7 | 56.6° | 69.6° |
| O6 | C9 | H10 | H11 | 120.9° | 119.9° |
| O6 | C9 | C10 | H12 | 66.5° | 52.8° |
| C8 | C6 | C5 | H5 | 117.6° | 119.9° |
| C8 | C6 | C5 | O1 | 62.1° | 175.0° |
| C8 | C6 | C5 | H3 | 178.3° | 65.0° |
| C8 | C6 | C5 | H4 | 57.5° | 55.0° |
| C8 | C6 | C7 | H6 | 180.0° | 60.0° |
| C8 | C6 | C7 | H7 | 60.0° | 180.0° |
| C8 | C6 | C7 | H8 | 60.0° | 60.0° |
| O2 | C8 | C6 | C5 | 21.0° | 0.0° |
| O2 | C8 | C6 | H5 | 138.7° | 120.0° |
| C9 | C10 | C11 | O7 | 116.0° | 118.8° |
| C9 | C10 | C11 | H12 | 122.5° | 122.3° |
| C9 | C10 | O7 | H12 | 122.6° | 122.4° |
| C9 | C10 | C11 | O8 | 85.5° | 98.6° |
| C9 | C10 | C11 | C12 | 155.4° | 142.8° |
| C9 | C10 | O7 | C13 | 137.4° | 159.3° |
| C10 | C9 | H10 | H11 | 121.0° | 120.0° |
| C9 | C10 | C11 | H13 | 38.9° | 24.1° |
| C6 | C5 | O1 | H3 | 119.6° | 120.0° |
| C6 | C5 | O1 | H4 | 119.6° | 120.0° |
| C6 | C5 | O1 | H2 | 47.2° | 180.0° |
| C6 | C5 | H3 | H4 | 121.0° | 120.0° |
| C5 | C6 | C7 | H6 | 55.0° | 180.0° |
| C5 | C6 | C7 | H7 | 65.0° | 60.0° |
| C5 | C6 | C7 | H8 | 175.0° | 60.1° |
| C11 | C10 | O7 | H12 | 121.3° | 118.9° |
| C10 | C11 | O8 | C12 | 111.6° | 114.7° |
| C10 | C11 | O8 | H13 | 124.1° | 122.6° |
| C10 | C11 | C12 | H13 | 117.1° | 118.6° |
| C11 | C10 | O7 | C13 | 21.3° | 40.5° |
| C10 | C11 | C12 | O9 | 74.5° | 118.6° |
| C10 | C11 | C12 | C13 | 42.1° | 0.0° |
| C11 | C10 | C9 | H10 | 51.1° | 65.0° |
| C11 | C10 | C9 | H11 | 69.6° | 55.0° |
| C10 | C11 | O8 | H14 | 180.0° | 180.0° |
| C10 | C11 | C12 | H15 | 159.8° | 118.6° |
| O7 | C10 | C11 | O8 | 158.5° | 142.6° |
| O7 | C10 | C11 | C12 | 39.4° | 24.0° |
| C10 | O7 | C13 | C12 | 6.7° | 40.5° |
| C10 | O7 | C13 | N3 | 115.7° | 159.4° |
| O7 | C10 | C9 | H10 | 63.1° | 50.3° |
| O7 | C10 | C9 | H11 | 176.2° | 170.3° |
| O7 | C10 | C11 | H13 | 77.0° | 94.7° |
| C10 | O7 | C13 | H17 | 124.2° | 78.3° |
| O8 | C11 | C12 | H13 | 125.2° | 122.8° |
| O8 | C11 | C12 | O9 | 43.1° | 0.0° |
| O8 | C11 | C12 | C13 | 159.7° | 118.6° |
| O8 | C11 | C10 | H12 | 37.0° | 23.7° |
| O8 | C11 | C12 | H15 | 82.5° | 122.8° |
| C11 | C12 | C13 | O7 | 30.2° | 24.0° |
| C11 | C12 | O9 | C13 | 111.2° | 114.6° |
| C11 | C12 | O9 | H15 | 125.1° | 122.7° |
| C11 | C12 | C13 | H15 | 117.4° | 118.6° |
| C11 | C12 | C13 | N3 | 90.4° | 142.8° |
| C12 | C11 | C10 | H12 | 82.1° | 94.9° |
| C12 | C11 | O8 | H14 | 68.4° | 65.4° |
| C11 | C12 | O9 | H16 | 180.0° | 61.4° |
| C11 | C12 | C13 | H17 | 148.3° | 94.9° |
| O1 | C5 | H3 | H4 | 121.0° | 120.0° |
| O1 | C5 | C6 | H5 | 179.7° | 55.0° |
| O7 | C13 | C12 | O9 | 88.5° | 142.6° |
| O7 | C13 | C12 | N3 | 120.6° | 118.9° |
| O7 | C13 | C12 | H17 | 118.1° | 118.9° |
| O7 | C13 | N3 | H17 | 120.6° | 122.3° |
| O7 | C13 | N3 | C4 | 11.5° | 23.5° |
| O7 | C13 | N3 | C1 | 168.8° | 156.2° |
| C13 | O7 | C10 | H12 | 100.0° | 78.3° |
| O7 | C13 | C12 | H15 | 147.6° | 94.7° |
| O9 | C12 | C13 | H15 | 123.9° | 122.7° |
| O9 | C12 | C13 | N3 | 150.9° | 98.5° |
| O9 | C12 | C11 | H13 | 168.3° | 122.8° |
| O9 | C12 | C13 | H17 | 29.6° | 23.8° |
| C12 | C13 | N3 | H17 | 121.3° | 122.3° |
| C12 | C13 | N3 | C4 | 106.6° | 91.9° |
| C12 | C13 | N3 | C1 | 73.1° | 88.4° |
| C13 | C12 | C11 | H13 | 75.1° | 118.6° |
| C13 | C12 | O9 | H16 | 68.8° | 176.1° |
| C13 | N3 | C4 | C1 | 179.8° | 179.8° |
| C13 | N3 | C4 | N4 | 179.5° | 180.0° |
| C13 | N3 | C1 | C2 | 180.0° | 179.8° |
| C13 | N3 | C1 | N2 | 2.2° | 0.1° |
| C13 | N3 | C4 | H1 | 0.5° | 0.0° |
| N3 | C13 | C12 | H15 | 27.0° | 24.2° |
| N3 | C4 | N4 | H1 | 180.0° | 180.0° |
| N3 | C4 | N4 | C2 | 1.1° | 0.4° |
| C4 | N3 | C1 | C2 | 0.2° | 0.0° |
| C4 | N3 | C1 | N2 | 178.0° | 179.7° |
| C4 | N3 | C13 | H17 | 132.1° | 145.8° |
| N4 | C4 | N3 | C1 | 0.8° | 0.3° |
| C4 | N4 | C2 | C1 | 0.9° | 0.4° |
| C4 | N4 | C2 | C3 | 178.7° | 179.5° |
| N3 | C1 | C2 | N4 | 0.4° | 0.2° |
| N3 | C1 | C2 | N2 | 178.1° | 179.8° |
| N3 | C1 | C2 | C3 | 178.6° | 179.7° |
| N3 | C1 | N2 | C14 | 178.9° | 179.6° |
| C1 | N3 | C4 | H1 | 179.2° | 179.8° |
| C1 | N3 | C13 | H17 | 48.2° | 33.9° |
| N4 | C2 | C1 | C3 | 178.2° | 179.9° |
| N4 | C2 | C1 | N2 | 177.6° | 180.0° |
| N4 | C2 | C3 | N5 | 0.4° | 0.1° |
| N4 | C2 | C3 | N1 | 178.9° | 179.9° |
| C2 | N4 | C4 | H1 | 179.0° | 179.6° |
| C2 | C1 | N2 | C14 | 3.5° | 0.1° |
| C1 | C2 | C3 | N5 | 177.2° | 179.9° |
| C1 | C2 | C3 | N1 | 3.5° | 0.0° |
| N2 | C1 | C2 | C3 | 0.6° | 0.1° |
| C1 | N2 | C14 | N1 | 2.4° | 0.1° |
| C1 | N2 | C14 | H18 | 177.6° | 180.0° |
| C2 | C3 | N5 | N1 | 179.3° | 180.0° |
| C2 | C3 | N1 | C14 | 4.6° | 0.0° |
| C2 | C3 | N5 | H19 | 179.3° | 0.0° |
| C2 | C3 | N5 | H20 | 60.7° | 180.0° |
| N2 | C14 | N1 | C3 | 1.6° | 0.1° |
| N2 | C14 | N1 | H18 | 180.0° | 179.9° |
| N5 | C3 | N1 | C14 | 176.1° | 180.0° |
| C3 | N5 | H19 | H20 | 120.0° | 180.0° |
| C3 | N1 | C14 | H18 | 178.5° | 180.0° |
| N1 | C3 | N5 | H19 | 0.0° | 180.0° |
| N1 | C3 | N5 | H20 | 120.0° | 0.0° |
| H2 | O1 | C5 | H3 | 166.9° | 60.0° |
| H2 | O1 | C5 | H4 | 72.4° | 60.0° |
| H3 | C5 | C6 | H5 | 60.7° | 175.1° |
| H4 | C5 | C6 | H5 | 60.0° | 64.9° |
| H5 | C6 | C7 | H6 | 62.9° | 60.0° |
| H5 | C6 | C7 | H7 | 177.1° | 60.1° |
| H5 | C6 | C7 | H8 | 57.1° | 179.9° |
| H6 | C7 | H7 | H8 | 120.0° | 120.0° |
| H10 | C9 | C10 | H12 | 173.8° | 172.8° |
| H11 | C9 | C10 | H12 | 53.1° | 67.2° |
| H12 | C10 | C11 | H13 | 161.5° | 146.4° |
| H13 | C11 | O8 | H14 | 55.9° | 57.4° |
| H13 | C11 | C12 | H15 | 42.7° | 0.0° |
| H15 | C12 | O9 | H16 | 54.9° | 61.3° |
| H15 | C12 | C13 | H17 | 94.3° | 146.5° |
