8OS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.51Å | 1.57Å | |
| O7 | P1 | doub | 1.48Å | 1.52Å | |
| C13 | N7 | sing | 1.34Å | 1.34Å | Aromatic |
| C13 | C11 | doub | 1.35Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | O5 | sing | 1.43Å | 1.43Å | |
| N7 | C12 | doub | 1.31Å | 1.35Å | Aromatic |
| O4 | C8 | sing | 1.43Å | 1.44Å | |
| P1 | C11 | sing | 1.81Å | 1.71Å | |
| P1 | O5 | sing | 1.61Å | 1.61Å | |
| P1 | O6 | sing | 1.61Å | 1.54Å | |
| C11 | N6 | sing | 1.37Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.55Å | 1.44Å | |
| C9 | O2 | sing | 1.44Å | 1.42Å | |
| C8 | C7 | sing | 1.54Å | 1.47Å | |
| C12 | N6 | sing | 1.35Å | 1.34Å | Aromatic |
| O2 | C6 | sing | 1.44Å | 1.42Å | |
| O3 | C7 | sing | 1.43Å | 1.45Å | |
| C7 | C6 | sing | 1.54Å | 1.52Å | |
| C6 | N5 | sing | 1.47Å | 1.47Å | |
| C5 | N5 | sing | 1.37Å | 1.33Å | Aromatic |
| C5 | N4 | doub | 1.30Å | 1.32Å | Aromatic |
| N5 | C3 | sing | 1.37Å | 1.32Å | Aromatic |
| N4 | C4 | sing | 1.35Å | 1.32Å | Aromatic |
| C3 | N3 | sing | 1.34Å | 1.35Å | |
| C3 | C4 | doub | 1.40Å | 1.33Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.34Å | |
| C4 | C1 | sing | 1.42Å | 1.33Å | |
| C2 | N2 | sing | 1.37Å | 1.30Å | |
| C2 | N1 | sing | 1.36Å | 1.39Å | |
| C1 | N1 | sing | 1.35Å | 1.39Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O4 | H9 | sing | 0.97Å | 0.95Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| O6 | H13 | sing | 0.97Å | 0.95Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | N7 | 126.2° | 126.0° |
| C14 | C13 | C11 | 127.2° | 125.9° |
| C13 | C14 | H17 | 109.5° | 109.4° |
| C13 | C14 | H18 | 109.5° | 109.5° |
| C13 | C14 | H19 | 109.5° | 109.4° |
| O7 | P1 | C11 | 118.7° | 109.5° |
| O7 | P1 | O5 | 112.3° | 109.5° |
| O7 | P1 | O6 | 109.7° | 109.5° |
| N7 | C13 | C11 | 106.6° | 108.1° |
| C13 | N7 | C12 | 108.5° | 109.2° |
| C13 | C11 | P1 | 124.7° | 126.6° |
| C13 | C11 | N6 | 109.9° | 106.8° |
| C9 | C10 | O5 | 112.6° | 109.4° |
| C10 | C9 | C8 | 110.1° | 110.4° |
| C10 | C9 | O2 | 109.3° | 110.4° |
| C10 | C9 | H10 | 109.9° | 110.4° |
| C9 | C10 | H11 | 108.7° | 109.5° |
| C9 | C10 | H12 | 108.7° | 109.5° |
| C10 | O5 | P1 | 118.1° | 123.0° |
| O5 | C10 | H11 | 108.7° | 109.5° |
| O5 | C10 | H12 | 108.7° | 109.4° |
| N7 | C12 | N6 | 108.2° | 108.7° |
| N7 | C12 | H15 | 125.9° | 125.6° |
| O4 | C8 | C9 | 105.9° | 110.7° |
| O4 | C8 | C7 | 111.5° | 110.5° |
| O4 | C8 | H8 | 111.8° | 110.4° |
| C8 | O4 | H9 | 109.5° | 114.0° |
| C11 | P1 | O5 | 109.7° | 109.5° |
| C11 | P1 | O6 | 105.6° | 109.4° |
| P1 | C11 | N6 | 125.4° | 126.6° |
| O5 | P1 | O6 | 98.8° | 109.5° |
| P1 | O6 | H13 | 109.5° | 114.0° |
| C11 | N6 | C12 | 106.9° | 107.2° |
| C11 | N6 | H14 | 126.5° | 126.4° |
| C8 | C9 | O2 | 105.1° | 104.8° |
| C9 | C8 | C7 | 104.4° | 104.1° |
| C9 | C8 | H8 | 111.7° | 110.6° |
| C8 | C9 | H10 | 111.0° | 110.4° |
| C9 | O2 | C6 | 107.9° | 105.3° |
| O2 | C9 | H10 | 111.3° | 110.4° |
| C8 | C7 | O3 | 111.8° | 110.7° |
| C8 | C7 | C6 | 100.5° | 104.1° |
| C8 | C7 | H6 | 110.8° | 110.5° |
| C7 | C8 | H8 | 111.3° | 110.5° |
| C12 | N6 | H14 | 126.6° | 126.4° |
| N6 | C12 | H15 | 125.9° | 125.7° |
| O2 | C6 | C7 | 106.8° | 104.9° |
| O2 | C6 | N5 | 105.5° | 110.4° |
| O2 | C6 | H5 | 110.6° | 110.4° |
| O3 | C7 | C6 | 112.2° | 110.5° |
| O3 | C7 | H6 | 111.1° | 110.4° |
| C7 | O3 | H7 | 109.5° | 114.0° |
| C7 | C6 | N5 | 114.7° | 110.4° |
| C7 | C6 | H5 | 109.2° | 110.3° |
| C6 | C7 | H6 | 110.1° | 110.5° |
| C6 | N5 | C5 | 126.5° | 126.2° |
| C6 | N5 | C3 | 125.8° | 126.3° |
| N5 | C6 | H5 | 109.9° | 110.3° |
| N5 | C5 | N4 | 108.8° | 109.8° |
| C5 | N5 | C3 | 107.7° | 107.5° |
| N5 | C5 | H4 | 125.6° | 125.1° |
| C5 | N4 | C4 | 107.2° | 109.4° |
| N4 | C5 | H4 | 125.6° | 125.2° |
| N5 | C3 | N3 | 131.4° | 134.2° |
| N5 | C3 | C4 | 107.6° | 106.1° |
| N4 | C4 | C3 | 108.7° | 107.3° |
| N4 | C4 | C1 | 130.7° | 134.1° |
| N3 | C3 | C4 | 121.0° | 119.7° |
| C3 | N3 | C2 | 120.2° | 121.1° |
| C3 | C4 | C1 | 120.6° | 118.6° |
| N3 | C2 | N2 | 119.8° | 119.1° |
| N3 | C2 | N1 | 120.2° | 122.0° |
| C4 | C1 | N1 | 120.4° | 118.4° |
| C4 | C1 | O1 | 119.7° | 120.8° |
| N2 | C2 | N1 | 119.9° | 119.0° |
| C2 | N2 | H2 | 120.0° | 120.0° |
| C2 | N2 | H3 | 120.0° | 120.0° |
| C2 | N1 | C1 | 117.5° | 120.3° |
| C2 | N1 | H1 | 121.3° | 119.9° |
| N1 | C1 | O1 | 119.9° | 120.9° |
| C1 | N1 | H1 | 121.2° | 119.8° |
| H2 | N2 | H3 | 120.0° | 120.0° |
| H11 | C10 | H12 | 109.4° | 109.5° |
| H17 | C14 | H18 | 109.4° | 109.5° |
| H17 | C14 | H19 | 109.4° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | N7 | C11 | 179.3° | 179.6° |
| C14 | C13 | N7 | C12 | 179.9° | 180.0° |
| C14 | C13 | C11 | P1 | 1.2° | 0.3° |
| C14 | C13 | C11 | N6 | 179.8° | 180.0° |
| C13 | C14 | H17 | H18 | 120.0° | 120.0° |
| C13 | C14 | H17 | H19 | 120.0° | 120.0° |
| C13 | C14 | H18 | H19 | 120.0° | 120.0° |
| O7 | P1 | C11 | C13 | 2.6° | 149.7° |
| O7 | P1 | O5 | C10 | 50.1° | 54.9° |
| O7 | P1 | C11 | O5 | 130.9° | 120.1° |
| O7 | P1 | C11 | O6 | 123.5° | 120.0° |
| O7 | P1 | O5 | O6 | 115.7° | 120.0° |
| O7 | P1 | C11 | N6 | 175.8° | 30.0° |
| O7 | P1 | O6 | H13 | 0.0° | 180.0° |
| N7 | C13 | C11 | P1 | 179.5° | 179.8° |
| N7 | C13 | C11 | N6 | 0.9° | 0.4° |
| C13 | N7 | C12 | N6 | 0.1° | 0.2° |
| C13 | N7 | C12 | H15 | 179.9° | 179.7° |
| N7 | C13 | C14 | H17 | 0.0° | 90.0° |
| N7 | C13 | C14 | H18 | 120.0° | 150.0° |
| N7 | C13 | C14 | H19 | 120.0° | 30.0° |
| C11 | C13 | N7 | C12 | 0.6° | 0.4° |
| C13 | C11 | P1 | N6 | 178.3° | 179.7° |
| C13 | C11 | P1 | O5 | 128.4° | 90.2° |
| C13 | C11 | P1 | O6 | 126.1° | 29.7° |
| C13 | C11 | N6 | C12 | 0.9° | 0.3° |
| C13 | C11 | N6 | H14 | 179.1° | 179.8° |
| C11 | C13 | C14 | H17 | 179.2° | 90.5° |
| C11 | C13 | C14 | H18 | 59.2° | 29.5° |
| C11 | C13 | C14 | H19 | 60.8° | 149.5° |
| C9 | C10 | O5 | H11 | 120.5° | 120.0° |
| C9 | C10 | O5 | H12 | 120.5° | 120.0° |
| C10 | C9 | C8 | O4 | 87.0° | 98.5° |
| C9 | C10 | O5 | P1 | 161.3° | 180.0° |
| C10 | C9 | C8 | O2 | 117.6° | 118.9° |
| C10 | C9 | C8 | H10 | 121.9° | 122.3° |
| C10 | C9 | O2 | H10 | 121.6° | 122.4° |
| C10 | C9 | C8 | C7 | 155.2° | 142.8° |
| C10 | C9 | O2 | C6 | 139.5° | 159.2° |
| C10 | C9 | C8 | H8 | 34.9° | 24.2° |
| C9 | C10 | H11 | H12 | 118.6° | 120.1° |
| C10 | O5 | P1 | C11 | 84.1° | 175.0° |
| C10 | O5 | P1 | O6 | 165.8° | 65.1° |
| O5 | C10 | C9 | C8 | 64.7° | 175.0° |
| O5 | C10 | C9 | O2 | 50.3° | 69.6° |
| O5 | C10 | C9 | H10 | 172.7° | 52.7° |
| O5 | C10 | H11 | H12 | 118.6° | 120.0° |
| N7 | C12 | N6 | C11 | 0.5° | 0.0° |
| N7 | C12 | N6 | H15 | 180.0° | 180.0° |
| N7 | C12 | N6 | H14 | 179.5° | 180.0° |
| O4 | C8 | C9 | C7 | 117.8° | 118.7° |
| O4 | C8 | C9 | H8 | 121.9° | 122.7° |
| O4 | C8 | C9 | O2 | 155.4° | 142.6° |
| O4 | C8 | C7 | H8 | 125.6° | 122.5° |
| O4 | C8 | C7 | O3 | 32.1° | 0.1° |
| O4 | C8 | C7 | C6 | 151.3° | 118.8° |
| O4 | C8 | C7 | H6 | 92.4° | 122.5° |
| O4 | C8 | C9 | H10 | 35.0° | 23.8° |
| C11 | P1 | O5 | O6 | 110.1° | 119.9° |
| P1 | C11 | N6 | C12 | 179.4° | 180.0° |
| C11 | P1 | O6 | H13 | 129.0° | 60.1° |
| P1 | C11 | N6 | H14 | 0.6° | 0.0° |
| O5 | P1 | C11 | N6 | 53.3° | 90.0° |
| P1 | O5 | C10 | H11 | 40.8° | 60.0° |
| P1 | O5 | C10 | H12 | 78.2° | 60.1° |
| O5 | P1 | O6 | H13 | 117.6° | 59.9° |
| O6 | P1 | C11 | N6 | 52.3° | 150.0° |
| C11 | N6 | C12 | H14 | 180.0° | 180.0° |
| C11 | N6 | C12 | H15 | 179.5° | 180.0° |
| C8 | C9 | O2 | H10 | 120.3° | 118.8° |
| C9 | C8 | C7 | H8 | 120.6° | 118.7° |
| C8 | C9 | O2 | C6 | 21.4° | 40.4° |
| C9 | C8 | C7 | O3 | 81.8° | 118.7° |
| C9 | C8 | C7 | C6 | 37.4° | 0.0° |
| C9 | C8 | C7 | H6 | 153.8° | 118.7° |
| C9 | C8 | O4 | H9 | 180.0° | 176.1° |
| C8 | C9 | C10 | H11 | 174.9° | 55.0° |
| C8 | C9 | C10 | H12 | 55.8° | 65.1° |
| O2 | C9 | C8 | C7 | 37.6° | 23.9° |
| C9 | O2 | C6 | C7 | 2.5° | 40.4° |
| C9 | O2 | C6 | N5 | 120.0° | 159.4° |
| C9 | O2 | C6 | H5 | 121.2° | 78.4° |
| O2 | C9 | C8 | H8 | 82.7° | 94.7° |
| O2 | C9 | C10 | H11 | 70.2° | 170.4° |
| O2 | C9 | C10 | H12 | 170.8° | 50.3° |
| C8 | C7 | C6 | O2 | 24.6° | 23.9° |
| C8 | C7 | O3 | C6 | 112.0° | 114.7° |
| C8 | C7 | O3 | H6 | 124.3° | 122.7° |
| C8 | C7 | C6 | H6 | 116.8° | 118.7° |
| C8 | C7 | C6 | N5 | 91.9° | 142.8° |
| C8 | C7 | C6 | H5 | 144.2° | 95.0° |
| C8 | C7 | O3 | H7 | 180.0° | 65.3° |
| C7 | C8 | O4 | H9 | 67.1° | 61.4° |
| C7 | C8 | C9 | H10 | 82.8° | 94.9° |
| O2 | C6 | C7 | O3 | 94.3° | 142.7° |
| O2 | C6 | C7 | N5 | 116.5° | 118.9° |
| O2 | C6 | C7 | H5 | 119.6° | 118.9° |
| O2 | C6 | N5 | H5 | 119.2° | 122.2° |
| O2 | C6 | N5 | C5 | 10.6° | 22.1° |
| O2 | C6 | N5 | C3 | 170.9° | 157.6° |
| O2 | C6 | C7 | H6 | 141.4° | 94.8° |
| C6 | O2 | C9 | H10 | 98.9° | 78.4° |
| O3 | C7 | C6 | H6 | 124.3° | 122.5° |
| O3 | C7 | C6 | N5 | 149.2° | 98.4° |
| O3 | C7 | C6 | H5 | 25.3° | 23.8° |
| O3 | C7 | C8 | H8 | 157.7° | 122.6° |
| C7 | C6 | N5 | H5 | 123.5° | 122.2° |
| C7 | C6 | N5 | C5 | 127.9° | 93.5° |
| C7 | C6 | N5 | C3 | 53.6° | 86.8° |
| C6 | C7 | O3 | H7 | 68.0° | 180.0° |
| C6 | C7 | C8 | H8 | 83.1° | 118.6° |
| C6 | N5 | C5 | C3 | 178.7° | 179.8° |
| C6 | N5 | C5 | N4 | 179.6° | 180.0° |
| C6 | N5 | C3 | N3 | 0.8° | 0.2° |
| C6 | N5 | C3 | C4 | 179.7° | 180.0° |
| C6 | N5 | C5 | H4 | 0.4° | 0.3° |
| N5 | C6 | C7 | H6 | 24.9° | 24.2° |
| N5 | C5 | N4 | H4 | 180.0° | 179.6° |
| N5 | C5 | N4 | C4 | 0.5° | 0.1° |
| C5 | N5 | C3 | N3 | 179.5° | 180.0° |
| C5 | N5 | C3 | C4 | 1.0° | 0.3° |
| C5 | N5 | C6 | H5 | 108.6° | 144.3° |
| N4 | C5 | N5 | C3 | 0.9° | 0.3° |
| C5 | N4 | C4 | C3 | 0.1° | 0.0° |
| C5 | N4 | C4 | C1 | 178.8° | 179.4° |
| N5 | C3 | C4 | N4 | 0.6° | 0.2° |
| N5 | C3 | N3 | C4 | 179.5° | 179.7° |
| N5 | C3 | N3 | C2 | 179.5° | 180.0° |
| N5 | C3 | C4 | C1 | 179.5° | 179.7° |
| C3 | N5 | C5 | H4 | 179.0° | 179.9° |
| C3 | N5 | C6 | H5 | 69.9° | 35.4° |
| N4 | C4 | C3 | N3 | 179.8° | 180.0° |
| N4 | C4 | C3 | C1 | 178.9° | 179.5° |
| N4 | C4 | C1 | N1 | 179.2° | 179.8° |
| N4 | C4 | C1 | O1 | 1.4° | 0.5° |
| C4 | N4 | C5 | H4 | 179.5° | 179.8° |
| N3 | C3 | C4 | C1 | 0.9° | 0.5° |
| C3 | N3 | C2 | N2 | 179.7° | 180.0° |
| C3 | N3 | C2 | N1 | 1.1° | 0.0° |
| C4 | C3 | N3 | C2 | 0.0° | 0.3° |
| C3 | C4 | C1 | N1 | 0.6° | 0.5° |
| C3 | C4 | C1 | O1 | 180.0° | 179.8° |
| N3 | C2 | N2 | N1 | 179.3° | 180.0° |
| N3 | C2 | N1 | C1 | 1.3° | 0.0° |
| N3 | C2 | N1 | H1 | 178.7° | 180.0° |
| N3 | C2 | N2 | H2 | 0.0° | 180.0° |
| N3 | C2 | N2 | H3 | 180.0° | 0.1° |
| C4 | C1 | N1 | C2 | 0.4° | 0.3° |
| C4 | C1 | N1 | O1 | 179.3° | 179.7° |
| C4 | C1 | N1 | H1 | 179.5° | 179.7° |
| N2 | C2 | N1 | C1 | 179.4° | 180.0° |
| N2 | C2 | N1 | H1 | 0.6° | 0.0° |
| C2 | N2 | H2 | H3 | 180.0° | 180.0° |
| C2 | N1 | C1 | H1 | 180.0° | 180.0° |
| C2 | N1 | C1 | O1 | 178.9° | 180.0° |
| N1 | C2 | N2 | H2 | 179.3° | 0.0° |
| N1 | C2 | N2 | H3 | 0.7° | 180.0° |
| O1 | C1 | N1 | H1 | 1.1° | 0.0° |
| H5 | C6 | C7 | H6 | 99.0° | 146.3° |
| H6 | C7 | O3 | H7 | 55.7° | 57.5° |
| H6 | C7 | C8 | H8 | 33.2° | 0.0° |
| H8 | C8 | O4 | H9 | 58.2° | 61.1° |
| H8 | C8 | C9 | H10 | 156.8° | 146.5° |
| H10 | C9 | C10 | H11 | 52.3° | 67.3° |
| H10 | C9 | C10 | H12 | 66.8° | 172.6° |
| H14 | N6 | C12 | H15 | 0.4° | 0.0° |
| H17 | C14 | H18 | H19 | 120.0° | 120.0° |
