6QD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | P16 | doub | 1.48Å | 1.51Å | |
| P16 | O18 | sing | 1.61Å | 1.49Å | |
| P16 | O19 | sing | 1.61Å | 1.52Å | |
| P16 | C15 | sing | 1.82Å | 1.81Å | |
| N08 | C09 | doub | 1.30Å | 1.31Å | Aromatic |
| N08 | C07 | sing | 1.35Å | 1.35Å | Aromatic |
| C09 | N10 | sing | 1.36Å | 1.32Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| O01 | C02 | doub | 1.22Å | 1.25Å | |
| C07 | C02 | sing | 1.46Å | 1.49Å | |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| N10 | C11 | sing | 1.47Å | 1.43Å | |
| N10 | C06 | sing | 1.36Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.58Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C02 | N03 | sing | 1.35Å | 1.39Å | |
| C06 | N05 | sing | 1.37Å | 1.42Å | |
| N03 | C04 | doub | 1.30Å | 1.42Å | |
| N05 | C04 | sing | 1.34Å | 1.45Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| N05 | H4 | sing | 0.97Å | 1.00Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| O18 | H14 | sing | 0.97Å | 0.95Å | |
| O19 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | P16 | O18 | 109.6° | 109.5° |
| O17 | P16 | O19 | 109.5° | 109.5° |
| O17 | P16 | C15 | 109.1° | 109.5° |
| O18 | P16 | O19 | 109.5° | 109.4° |
| O18 | P16 | C15 | 109.8° | 109.5° |
| P16 | O18 | H14 | 109.5° | 114.1° |
| O19 | P16 | C15 | 109.4° | 109.5° |
| P16 | O19 | H15 | 109.5° | 114.0° |
| P16 | C15 | C14 | 111.6° | 109.5° |
| P16 | C15 | H1 | 108.9° | 109.5° |
| P16 | C15 | H2 | 108.9° | 109.5° |
| C09 | N08 | C07 | 108.6° | 109.1° |
| N08 | C09 | N10 | 109.4° | 109.6° |
| N08 | C09 | H5 | 125.3° | 125.1° |
| N08 | C07 | C02 | 133.0° | 134.7° |
| N08 | C07 | C06 | 107.0° | 107.4° |
| C09 | N10 | C11 | 125.7° | 126.2° |
| C09 | N10 | C06 | 109.0° | 107.5° |
| N10 | C09 | H5 | 125.3° | 125.2° |
| C15 | C14 | C13 | 112.9° | 109.4° |
| C14 | C15 | H1 | 108.9° | 109.4° |
| C14 | C15 | H2 | 108.9° | 109.5° |
| C15 | C14 | H12 | 108.6° | 109.5° |
| C15 | C14 | H13 | 108.6° | 109.5° |
| O01 | C02 | C07 | 120.2° | 120.9° |
| O01 | C02 | N03 | 119.9° | 120.9° |
| C02 | C07 | C06 | 120.0° | 117.9° |
| C07 | C02 | N03 | 120.0° | 118.3° |
| C07 | C06 | N10 | 106.0° | 106.3° |
| C07 | C06 | N05 | 120.1° | 118.8° |
| C11 | N10 | C06 | 125.3° | 126.2° |
| N10 | C11 | C12 | 110.7° | 109.5° |
| N10 | C11 | H6 | 109.2° | 109.4° |
| N10 | C11 | H7 | 109.1° | 109.5° |
| N10 | C06 | N05 | 133.9° | 134.9° |
| C14 | C13 | C12 | 113.2° | 109.4° |
| C14 | C13 | H10 | 108.5° | 109.5° |
| C14 | C13 | H11 | 108.5° | 109.5° |
| C13 | C14 | H12 | 108.6° | 109.5° |
| C13 | C14 | H13 | 108.6° | 109.5° |
| C11 | C12 | C13 | 111.9° | 109.5° |
| C12 | C11 | H6 | 109.2° | 109.5° |
| C12 | C11 | H7 | 109.2° | 109.5° |
| C11 | C12 | H8 | 108.9° | 109.5° |
| C11 | C12 | H9 | 108.9° | 109.5° |
| C13 | C12 | H8 | 108.9° | 109.5° |
| C13 | C12 | H9 | 108.9° | 109.5° |
| C12 | C13 | H10 | 108.5° | 109.4° |
| C12 | C13 | H11 | 108.6° | 109.4° |
| C02 | N03 | C04 | 119.7° | 121.4° |
| C06 | N05 | C04 | 120.1° | 120.7° |
| C06 | N05 | H4 | 119.9° | 119.6° |
| N03 | C04 | N05 | 120.1° | 122.9° |
| N03 | C04 | H3 | 119.9° | 118.5° |
| N05 | C04 | H3 | 120.0° | 118.6° |
| C04 | N05 | H4 | 119.9° | 119.6° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | P16 | O18 | O19 | 120.1° | 120.0° |
| O17 | P16 | O18 | C15 | 119.9° | 120.0° |
| O17 | P16 | O19 | C15 | 119.5° | 120.0° |
| O17 | P16 | C15 | C14 | 133.1° | 55.0° |
| O17 | P16 | C15 | H1 | 12.7° | 175.0° |
| O17 | P16 | C15 | H2 | 106.6° | 65.0° |
| O17 | P16 | O18 | H14 | 0.0° | 180.0° |
| O17 | P16 | O19 | H15 | 0.0° | 60.0° |
| O18 | P16 | O19 | C15 | 120.3° | 120.0° |
| O18 | P16 | C15 | C14 | 12.9° | 65.0° |
| O18 | P16 | C15 | H1 | 107.4° | 54.9° |
| O18 | P16 | C15 | H2 | 133.2° | 175.0° |
| O18 | P16 | O19 | H15 | 120.2° | 60.0° |
| O19 | P16 | C15 | C14 | 107.2° | 175.0° |
| O19 | P16 | C15 | H1 | 132.5° | 65.0° |
| O19 | P16 | C15 | H2 | 13.1° | 55.0° |
| O19 | P16 | O18 | H14 | 120.1° | 60.0° |
| P16 | C15 | C14 | H1 | 120.3° | 120.0° |
| P16 | C15 | C14 | H2 | 120.3° | 120.0° |
| P16 | C15 | C14 | C13 | 155.2° | 180.0° |
| P16 | C15 | H1 | H2 | 119.0° | 120.1° |
| P16 | C15 | C14 | H12 | 84.2° | 60.0° |
| P16 | C15 | C14 | H13 | 34.7° | 60.0° |
| C15 | P16 | O18 | H14 | 119.9° | 60.0° |
| C15 | P16 | O19 | H15 | 119.5° | 180.0° |
| N08 | C09 | N10 | H5 | 180.0° | 179.6° |
| C09 | N08 | C07 | C02 | 180.0° | 180.0° |
| C09 | N08 | C07 | C06 | 0.0° | 0.2° |
| N08 | C09 | N10 | C11 | 179.9° | 180.0° |
| N08 | C09 | N10 | C06 | 0.0° | 0.5° |
| C07 | N08 | C09 | N10 | 0.0° | 0.4° |
| N08 | C07 | C02 | O01 | 0.0° | 0.0° |
| N08 | C07 | C02 | C06 | 179.9° | 179.8° |
| N08 | C07 | C06 | N10 | 0.0° | 0.2° |
| N08 | C07 | C02 | N03 | 180.0° | 179.7° |
| N08 | C07 | C06 | N05 | 180.0° | 179.7° |
| C07 | N08 | C09 | H5 | 180.0° | 180.0° |
| C09 | N10 | C06 | C07 | 0.0° | 0.4° |
| C09 | N10 | C11 | C06 | 179.9° | 179.4° |
| C09 | N10 | C11 | C12 | 72.8° | 95.0° |
| C09 | N10 | C06 | N05 | 180.0° | 179.4° |
| C09 | N10 | C11 | H6 | 47.3° | 25.0° |
| C09 | N10 | C11 | H7 | 167.0° | 144.9° |
| C15 | C14 | C13 | H12 | 120.5° | 120.0° |
| C15 | C14 | C13 | H13 | 120.5° | 120.0° |
| C15 | C14 | C13 | C12 | 3.8° | 180.0° |
| C14 | C15 | H1 | H2 | 119.0° | 120.0° |
| C15 | C14 | C13 | H10 | 116.8° | 60.0° |
| C15 | C14 | C13 | H11 | 124.3° | 60.0° |
| C15 | C14 | H12 | H13 | 118.4° | 120.0° |
| O01 | C02 | C07 | N03 | 180.0° | 179.7° |
| O01 | C02 | C07 | C06 | 180.0° | 179.8° |
| O01 | C02 | N03 | C04 | 179.9° | 180.0° |
| C02 | C07 | C06 | N10 | 180.0° | 179.7° |
| C02 | C07 | C06 | N05 | 0.0° | 0.5° |
| C07 | C02 | N03 | C04 | 0.0° | 0.3° |
| C07 | C06 | N10 | C11 | 179.9° | 179.9° |
| C07 | C06 | N10 | N05 | 180.0° | 179.8° |
| C06 | C07 | C02 | N03 | 0.0° | 0.5° |
| C07 | C06 | N05 | C04 | 0.0° | 0.2° |
| C07 | C06 | N05 | H4 | 180.0° | 179.8° |
| N10 | C11 | C12 | H6 | 120.2° | 120.0° |
| N10 | C11 | C12 | H7 | 120.2° | 120.0° |
| N10 | C11 | C12 | C13 | 173.1° | 180.0° |
| C11 | N10 | C06 | N05 | 0.1° | 0.1° |
| C11 | N10 | C09 | H5 | 0.1° | 0.4° |
| N10 | C11 | H6 | H7 | 119.4° | 120.0° |
| N10 | C11 | C12 | H8 | 52.7° | 60.0° |
| N10 | C11 | C12 | H9 | 66.6° | 60.0° |
| C06 | N10 | C11 | C12 | 107.3° | 84.3° |
| N10 | C06 | N05 | C04 | 180.0° | 180.0° |
| N10 | C06 | N05 | H4 | 0.1° | 0.0° |
| C06 | N10 | C09 | H5 | 180.0° | 179.9° |
| C06 | N10 | C11 | H6 | 132.6° | 155.7° |
| C06 | N10 | C11 | H7 | 12.9° | 35.7° |
| C14 | C13 | C12 | C11 | 147.3° | 180.0° |
| C14 | C13 | C12 | H10 | 120.5° | 120.0° |
| C14 | C13 | C12 | H11 | 120.6° | 120.0° |
| C13 | C14 | C15 | H1 | 34.9° | 60.0° |
| C13 | C14 | C15 | H2 | 84.4° | 60.0° |
| C14 | C13 | C12 | H8 | 92.3° | 60.0° |
| C14 | C13 | C12 | H9 | 27.0° | 60.0° |
| C14 | C13 | H10 | H11 | 118.3° | 120.1° |
| C13 | C14 | H12 | H13 | 118.4° | 120.0° |
| C11 | C12 | C13 | H8 | 120.3° | 120.0° |
| C11 | C12 | C13 | H9 | 120.4° | 120.0° |
| C12 | C11 | H6 | H7 | 119.5° | 120.0° |
| C11 | C12 | H8 | H9 | 118.9° | 120.0° |
| C11 | C12 | C13 | H10 | 92.1° | 60.0° |
| C11 | C12 | C13 | H11 | 26.8° | 60.0° |
| C13 | C12 | C11 | H6 | 66.7° | 60.0° |
| C13 | C12 | C11 | H7 | 52.9° | 60.0° |
| C13 | C12 | H8 | H9 | 118.9° | 120.0° |
| C12 | C13 | H10 | H11 | 118.3° | 120.0° |
| C12 | C13 | C14 | H12 | 124.3° | 60.0° |
| C12 | C13 | C14 | H13 | 116.8° | 60.0° |
| C02 | N03 | C04 | N05 | 0.0° | 0.0° |
| C02 | N03 | C04 | H3 | 180.0° | 180.0° |
| C06 | N05 | C04 | N03 | 0.0° | 0.0° |
| C06 | N05 | C04 | H4 | 180.0° | 180.0° |
| C06 | N05 | C04 | H3 | 180.0° | 180.0° |
| N03 | C04 | N05 | H3 | 180.0° | 180.0° |
| N03 | C04 | N05 | H4 | 179.9° | 180.0° |
| H1 | C15 | C14 | H12 | 155.4° | 60.0° |
| H1 | C15 | C14 | H13 | 85.6° | 180.0° |
| H2 | C15 | C14 | H12 | 36.1° | 180.0° |
| H2 | C15 | C14 | H13 | 155.1° | 60.0° |
| H3 | C04 | N05 | H4 | 0.1° | 0.0° |
| H6 | C11 | C12 | H8 | 172.9° | 180.0° |
| H6 | C11 | C12 | H9 | 53.6° | 60.0° |
| H7 | C11 | C12 | H8 | 67.4° | 60.0° |
| H7 | C11 | C12 | H9 | 173.3° | 180.0° |
| H8 | C12 | C13 | H10 | 28.2° | 180.0° |
| H8 | C12 | C13 | H11 | 147.1° | 60.0° |
| H9 | C12 | C13 | H10 | 147.5° | 60.0° |
| H9 | C12 | C13 | H11 | 93.6° | 180.0° |
| H10 | C13 | C14 | H12 | 3.7° | 60.0° |
| H10 | C13 | C14 | H13 | 122.7° | 180.0° |
| H11 | C13 | C14 | H12 | 115.2° | 180.0° |
| H11 | C13 | C14 | H13 | 3.8° | 60.0° |
