QGP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | P | doub | 1.48Å | 1.57Å | |
| O3 | P | sing | 1.61Å | 1.48Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| O5 | P | sing | 1.61Å | 1.60Å | |
| P | C1 | sing | 1.82Å | 1.81Å | |
| C16 | C9 | sing | 1.51Å | 1.52Å | |
| C16 | CA | sing | 1.53Å | 1.52Å | |
| O6 | C4 | sing | 1.36Å | 1.22Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| C | O2 | sing | 1.34Å | 1.28Å | |
| C9 | C4 | doub | 1.39Å | 1.44Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| CA | N | sing | 1.47Å | 1.42Å | |
| C14 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | C12 | sing | 1.48Å | 1.53Å | |
| C12 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | CL6 | sing | 1.74Å | 1.76Å | |
| C11 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | CL0 | sing | 1.74Å | 1.73Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| CA | H10 | sing | 1.09Å | 1.10Å | |
| N | H11 | sing | 1.01Å | 1.00Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| O3 | H14 | sing | 0.97Å | 0.95Å | |
| O5 | H15 | sing | 0.97Å | 0.95Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| O6 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | P | O3 | 89.1° | 109.4° |
| O4 | P | O5 | 111.7° | 109.5° |
| O4 | P | C1 | 120.5° | 109.5° |
| O3 | P | O5 | 90.2° | 109.4° |
| O3 | P | C1 | 116.5° | 109.5° |
| P | O3 | H14 | 109.5° | 114.1° |
| O | C | CA | 111.9° | 120.0° |
| O | C | O2 | 134.2° | 120.0° |
| O5 | P | C1 | 120.2° | 109.5° |
| P | O5 | H15 | 109.5° | 114.1° |
| P | C1 | C5 | 114.6° | 109.5° |
| P | C1 | H16 | 108.2° | 109.5° |
| P | C1 | H17 | 108.2° | 109.5° |
| C9 | C16 | CA | 113.9° | 109.5° |
| C16 | C9 | C4 | 122.3° | 120.0° |
| C16 | C9 | C8 | 120.8° | 120.0° |
| C9 | C16 | H8 | 108.4° | 109.5° |
| C9 | C16 | H9 | 108.4° | 109.5° |
| C16 | CA | C | 114.1° | 109.4° |
| C16 | CA | N | 110.1° | 109.5° |
| CA | C16 | H8 | 108.3° | 109.5° |
| CA | C16 | H9 | 108.4° | 109.4° |
| C16 | CA | H10 | 106.8° | 109.5° |
| O6 | C4 | C9 | 121.3° | 119.9° |
| O6 | C4 | C5 | 117.8° | 119.9° |
| C4 | O6 | H3 | 109.5° | 114.0° |
| CA | C | O2 | 113.8° | 120.0° |
| C | CA | N | 110.8° | 109.5° |
| C | CA | H10 | 106.8° | 109.5° |
| C | O2 | H5 | 109.5° | 117.0° |
| C4 | C9 | C8 | 116.9° | 120.1° |
| C9 | C4 | C5 | 120.9° | 120.2° |
| C9 | C8 | C7 | 120.6° | 119.9° |
| C9 | C8 | H2 | 119.7° | 120.0° |
| C4 | C5 | C1 | 122.9° | 120.0° |
| C4 | C5 | C6 | 119.4° | 120.1° |
| C8 | C7 | C6 | 119.8° | 119.9° |
| C8 | C7 | C12 | 126.0° | 120.1° |
| C7 | C8 | H2 | 119.7° | 120.0° |
| C14 | C13 | C12 | 120.4° | 119.9° |
| C13 | C14 | C11 | 120.6° | 120.1° |
| C14 | C13 | H4 | 119.8° | 120.0° |
| C13 | C14 | H6 | 119.7° | 119.9° |
| C13 | C12 | C7 | 115.3° | 120.1° |
| C13 | C12 | C10 | 118.8° | 119.8° |
| C12 | C13 | H4 | 119.8° | 120.1° |
| C1 | C5 | C6 | 117.7° | 120.0° |
| C5 | C1 | H16 | 108.1° | 109.4° |
| C5 | C1 | H17 | 108.2° | 109.5° |
| C5 | C6 | C7 | 122.3° | 119.9° |
| C5 | C6 | H1 | 118.9° | 120.0° |
| N | CA | H10 | 108.0° | 109.5° |
| CA | N | H11 | 109.5° | 111.0° |
| CA | N | H12 | 109.5° | 111.0° |
| C14 | C11 | CL6 | 120.9° | 119.9° |
| C14 | C11 | C15 | 119.0° | 120.2° |
| C11 | C14 | H6 | 119.7° | 119.9° |
| C6 | C7 | C12 | 114.2° | 120.0° |
| C7 | C6 | H1 | 118.8° | 120.1° |
| C7 | C12 | C10 | 126.0° | 120.1° |
| C12 | C10 | C15 | 120.8° | 119.9° |
| C12 | C10 | CL0 | 122.3° | 120.1° |
| CL6 | C11 | C15 | 120.1° | 119.9° |
| C11 | C15 | C10 | 120.4° | 120.1° |
| C11 | C15 | H7 | 119.8° | 120.0° |
| C15 | C10 | CL0 | 116.9° | 120.0° |
| C10 | C15 | H7 | 119.8° | 120.0° |
| H8 | C16 | H9 | 109.4° | 109.5° |
| H11 | N | H12 | 109.4° | 110.9° |
| H16 | C1 | H17 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | P | O3 | O5 | 111.7° | 120.0° |
| O4 | P | O3 | C1 | 124.0° | 120.0° |
| O4 | P | O5 | C1 | 149.7° | 120.0° |
| O4 | P | C1 | C5 | 51.6° | 55.0° |
| O4 | P | O3 | H14 | 0.0° | 59.9° |
| O4 | P | O5 | H15 | 0.0° | 180.0° |
| O4 | P | C1 | H16 | 69.2° | 65.0° |
| O4 | P | C1 | H17 | 172.4° | 175.0° |
| O3 | P | O5 | C1 | 121.2° | 120.0° |
| O3 | P | C1 | C5 | 54.3° | 175.0° |
| O3 | P | O5 | H15 | 89.1° | 60.1° |
| O3 | P | C1 | H16 | 175.0° | 55.0° |
| O3 | P | C1 | H17 | 66.5° | 65.0° |
| O | C | CA | C16 | 58.6° | 100.0° |
| O | C | CA | O2 | 179.1° | 180.0° |
| O | C | CA | N | 176.5° | 20.0° |
| O | C | O2 | H5 | 0.0° | 0.1° |
| O | C | CA | H10 | 59.1° | 140.0° |
| O5 | P | C1 | C5 | 161.4° | 65.0° |
| O5 | P | O3 | H14 | 111.7° | 60.0° |
| O5 | P | C1 | H16 | 77.9° | 175.0° |
| O5 | P | C1 | H17 | 40.6° | 55.0° |
| P | C1 | C5 | C4 | 69.8° | 90.0° |
| P | C1 | C5 | H16 | 120.8° | 120.0° |
| P | C1 | C5 | H17 | 120.8° | 120.0° |
| P | C1 | C5 | C6 | 111.9° | 90.1° |
| C1 | P | O3 | H14 | 124.0° | 179.9° |
| C1 | P | O5 | H15 | 149.7° | 60.0° |
| P | C1 | H16 | H17 | 117.7° | 120.0° |
| C9 | C16 | CA | H8 | 120.7° | 120.0° |
| C9 | C16 | CA | H9 | 120.7° | 120.0° |
| C16 | C9 | C4 | O6 | 0.7° | 0.3° |
| C9 | C16 | CA | C | 166.5° | 175.0° |
| C16 | C9 | C4 | C8 | 179.1° | 180.0° |
| C16 | C9 | C4 | C5 | 179.5° | 180.0° |
| C16 | C9 | C8 | C7 | 179.8° | 180.0° |
| C9 | C16 | CA | N | 68.2° | 65.0° |
| C16 | C9 | C8 | H2 | 0.1° | 0.0° |
| C9 | C16 | H8 | H9 | 118.0° | 120.0° |
| C9 | C16 | CA | H10 | 48.8° | 55.0° |
| C16 | CA | C | N | 124.9° | 120.0° |
| C16 | CA | C | H10 | 117.7° | 120.0° |
| C16 | CA | C | O2 | 120.5° | 80.0° |
| CA | C16 | C9 | C4 | 56.6° | 85.0° |
| CA | C16 | C9 | C8 | 124.3° | 95.0° |
| C16 | CA | N | H10 | 116.2° | 120.0° |
| CA | C16 | H8 | H9 | 118.0° | 120.0° |
| C16 | CA | N | H11 | 180.0° | 60.0° |
| C16 | CA | N | H12 | 60.0° | 63.9° |
| O6 | C4 | C9 | C5 | 179.8° | 179.7° |
| O6 | C4 | C9 | C8 | 179.9° | 179.7° |
| O6 | C4 | C5 | C1 | 1.1° | 0.3° |
| O6 | C4 | C5 | C6 | 179.5° | 179.8° |
| C | CA | N | H10 | 116.6° | 120.0° |
| CA | C | O2 | H5 | 178.9° | 180.0° |
| C | CA | C16 | H8 | 45.8° | 55.0° |
| C | CA | C16 | H9 | 72.8° | 65.0° |
| C | CA | N | H11 | 52.8° | 60.0° |
| C | CA | N | H12 | 67.1° | 176.1° |
| O2 | C | CA | N | 4.4° | 160.0° |
| O2 | C | CA | H10 | 121.8° | 40.0° |
| C4 | C9 | C8 | C7 | 1.0° | 0.0° |
| C9 | C4 | C5 | C1 | 178.7° | 180.0° |
| C9 | C4 | C5 | C6 | 0.3° | 0.1° |
| C4 | C9 | C8 | H2 | 179.0° | 180.0° |
| C4 | C9 | C16 | H8 | 64.1° | 155.0° |
| C4 | C9 | C16 | H9 | 177.2° | 35.0° |
| C9 | C4 | O6 | H3 | 180.0° | 90.3° |
| C8 | C9 | C4 | C5 | 0.3° | 0.0° |
| C9 | C8 | C7 | H2 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 1.0° | 0.0° |
| C9 | C8 | C7 | C12 | 178.6° | 180.0° |
| C8 | C9 | C16 | H8 | 115.0° | 25.0° |
| C8 | C9 | C16 | H9 | 3.6° | 145.0° |
| C4 | C5 | C1 | C6 | 178.4° | 179.9° |
| C4 | C5 | C6 | C7 | 0.3° | 0.1° |
| C4 | C5 | C6 | H1 | 179.7° | 180.0° |
| C4 | C5 | C1 | H16 | 169.5° | 149.9° |
| C4 | C5 | C1 | H17 | 51.0° | 30.0° |
| C5 | C4 | O6 | H3 | 0.2° | 90.0° |
| C8 | C7 | C12 | C13 | 132.9° | 50.0° |
| C8 | C7 | C6 | C5 | 0.4° | 0.1° |
| C8 | C7 | C6 | C12 | 177.8° | 179.9° |
| C8 | C7 | C12 | C10 | 47.9° | 129.9° |
| C8 | C7 | C6 | H1 | 179.6° | 180.0° |
| C14 | C13 | C12 | H4 | 180.0° | 179.9° |
| C13 | C14 | C11 | H6 | 180.0° | 180.0° |
| C14 | C13 | C12 | C7 | 179.3° | 180.0° |
| C14 | C13 | C12 | C10 | 0.1° | 0.1° |
| C13 | C14 | C11 | CL6 | 180.0° | 180.0° |
| C13 | C14 | C11 | C15 | 0.2° | 0.1° |
| C12 | C13 | C14 | C11 | 0.0° | 0.1° |
| C13 | C12 | C7 | C6 | 44.7° | 130.1° |
| C13 | C12 | C7 | C10 | 179.1° | 180.0° |
| C13 | C12 | C10 | C15 | 0.4° | 0.0° |
| C13 | C12 | C10 | CL0 | 179.4° | 179.7° |
| C12 | C13 | C14 | H6 | 180.0° | 179.9° |
| C1 | C5 | C6 | C7 | 178.8° | 180.0° |
| C1 | C5 | C6 | H1 | 1.2° | 0.0° |
| C5 | C1 | H16 | H17 | 117.6° | 120.0° |
| C5 | C6 | C7 | H1 | 180.0° | 179.9° |
| C5 | C6 | C7 | C12 | 178.2° | 180.0° |
| C6 | C5 | C1 | H16 | 8.9° | 30.0° |
| C6 | C5 | C1 | H17 | 127.4° | 149.9° |
| N | CA | C16 | H8 | 171.1° | 175.0° |
| N | CA | C16 | H9 | 52.5° | 55.0° |
| CA | N | H11 | H12 | 120.0° | 124.0° |
| C14 | C11 | CL6 | C15 | 179.8° | 179.9° |
| C14 | C11 | C15 | C10 | 0.5° | 0.0° |
| C11 | C14 | C13 | H4 | 180.0° | 180.0° |
| C14 | C11 | C15 | H7 | 179.5° | 179.8° |
| C6 | C7 | C12 | C10 | 134.4° | 50.0° |
| C6 | C7 | C8 | H2 | 179.0° | 180.0° |
| C7 | C12 | C10 | C15 | 179.5° | 180.0° |
| C7 | C12 | C10 | CL0 | 0.3° | 0.2° |
| C12 | C7 | C6 | H1 | 1.8° | 0.0° |
| C12 | C7 | C8 | H2 | 1.4° | 0.1° |
| C7 | C12 | C13 | H4 | 0.7° | 0.0° |
| C12 | C10 | C15 | C11 | 0.6° | 0.0° |
| C12 | C10 | C15 | CL0 | 179.8° | 179.7° |
| C10 | C12 | C13 | H4 | 179.9° | 180.0° |
| C12 | C10 | C15 | H7 | 179.4° | 179.8° |
| CL6 | C11 | C15 | C10 | 179.7° | 179.9° |
| CL6 | C11 | C14 | H6 | 0.0° | 0.0° |
| CL6 | C11 | C15 | H7 | 0.3° | 0.3° |
| C11 | C15 | C10 | H7 | 180.0° | 179.8° |
| C11 | C15 | C10 | CL0 | 179.2° | 179.7° |
| C15 | C11 | C14 | H6 | 179.8° | 179.9° |
| CL0 | C10 | C15 | H7 | 0.8° | 0.1° |
| H4 | C13 | C14 | H6 | 0.0° | 0.0° |
| H8 | C16 | CA | H10 | 71.9° | 65.0° |
| H9 | C16 | CA | H10 | 169.5° | 175.0° |
| H10 | CA | N | H11 | 63.8° | 180.0° |
| H10 | CA | N | H12 | 176.3° | 56.1° |
