A1A8V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | P08 | doub | 1.48Å | 1.69Å | |
| O09 | P08 | sing | 1.61Å | 1.69Å | |
| P08 | O07 | sing | 1.61Å | 1.70Å | |
| P08 | O11 | sing | 1.61Å | 1.52Å | |
| O07 | C06 | sing | 1.43Å | 1.42Å | |
| C06 | C05 | sing | 1.51Å | 1.52Å | |
| C04 | C05 | doub | 1.38Å | 1.35Å | Aromatic |
| C04 | N03 | sing | 1.32Å | 1.43Å | Aromatic |
| C05 | C12 | sing | 1.39Å | 1.51Å | Aromatic |
| N03 | C02 | doub | 1.32Å | 1.43Å | Aromatic |
| C02 | C31 | sing | 1.39Å | 1.34Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.50Å | |
| C12 | C31 | doub | 1.39Å | 1.49Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.37Å | |
| C27 | C26 | sing | 1.53Å | 1.51Å | |
| C31 | O32 | sing | 1.36Å | 1.39Å | |
| N24 | C13 | sing | 1.47Å | 1.44Å | |
| N24 | C25 | doub | 1.28Å | 1.33Å | |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | C28 | sing | 1.48Å | 1.49Å | |
| C28 | O30 | doub | 1.21Å | 1.26Å | |
| C28 | O29 | sing | 1.35Å | 1.40Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| O09 | H14 | sing | 0.97Å | 0.95Å | |
| O11 | H15 | sing | 0.97Å | 0.95Å | |
| O29 | H16 | sing | 0.97Å | 0.95Å | |
| O32 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | P08 | O09 | 108.2° | 109.5° |
| O10 | P08 | O07 | 109.3° | 109.5° |
| O10 | P08 | O11 | 110.5° | 109.4° |
| O09 | P08 | O07 | 109.4° | 109.5° |
| O09 | P08 | O11 | 109.8° | 109.4° |
| P08 | O09 | H14 | 109.5° | 114.0° |
| O07 | P08 | O11 | 109.5° | 109.5° |
| P08 | O07 | C06 | 111.4° | 122.9° |
| P08 | O11 | H15 | 109.5° | 114.0° |
| O07 | C06 | C05 | 104.1° | 109.4° |
| O07 | C06 | H5 | 110.8° | 109.5° |
| O07 | C06 | H6 | 110.8° | 109.5° |
| C06 | C05 | C04 | 116.5° | 120.4° |
| C06 | C05 | C12 | 125.2° | 120.4° |
| C05 | C06 | H5 | 110.8° | 109.5° |
| C05 | C06 | H6 | 110.8° | 109.5° |
| C05 | C04 | N03 | 122.9° | 120.9° |
| C04 | C05 | C12 | 118.3° | 119.2° |
| C05 | C04 | H4 | 118.5° | 119.6° |
| C04 | N03 | C02 | 120.3° | 121.7° |
| N03 | C04 | H4 | 118.5° | 119.5° |
| C05 | C12 | C31 | 116.2° | 118.4° |
| C05 | C12 | C13 | 130.0° | 120.8° |
| N03 | C02 | C31 | 119.5° | 120.7° |
| N03 | C02 | C01 | 121.0° | 119.6° |
| C31 | C02 | C01 | 119.5° | 119.6° |
| C02 | C31 | C12 | 122.9° | 119.0° |
| C02 | C31 | O32 | 119.6° | 120.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C31 | C12 | C13 | 113.8° | 120.8° |
| C12 | C31 | O32 | 117.6° | 120.5° |
| C12 | C13 | N24 | 134.7° | 109.5° |
| C12 | C13 | H7 | 102.8° | 109.5° |
| C12 | C13 | H8 | 102.8° | 109.5° |
| C27 | C26 | C25 | 107.6° | 109.5° |
| C27 | C26 | H9 | 109.9° | 109.5° |
| C27 | C26 | H10 | 109.9° | 109.5° |
| C26 | C27 | H11 | 109.5° | 109.5° |
| C26 | C27 | H12 | 109.5° | 109.5° |
| C26 | C27 | H13 | 109.5° | 109.5° |
| C31 | O32 | H17 | 109.5° | 114.0° |
| C13 | N24 | C25 | 127.6° | 120.0° |
| N24 | C13 | H7 | 102.8° | 109.5° |
| N24 | C13 | H8 | 102.9° | 109.4° |
| N24 | C25 | C26 | 120.9° | 120.0° |
| N24 | C25 | C28 | 125.5° | 120.0° |
| C26 | C25 | C28 | 113.6° | 120.0° |
| C25 | C26 | H9 | 109.9° | 109.4° |
| C25 | C26 | H10 | 109.9° | 109.5° |
| C25 | C28 | O30 | 123.2° | 120.0° |
| C25 | C28 | O29 | 118.8° | 120.0° |
| O30 | C28 | O29 | 118.0° | 120.0° |
| C28 | O29 | H16 | 109.5° | 117.0° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C26 | H10 | 109.5° | 109.5° |
| H11 | C27 | H12 | 109.5° | 109.5° |
| H11 | C27 | H13 | 109.5° | 109.5° |
| H12 | C27 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | P08 | O09 | O07 | 119.0° | 120.0° |
| O10 | P08 | O09 | O11 | 120.8° | 120.0° |
| O10 | P08 | O07 | O11 | 121.2° | 120.0° |
| O10 | P08 | O07 | C06 | 178.6° | 55.1° |
| O10 | P08 | O09 | H14 | 0.0° | 179.9° |
| O10 | P08 | O11 | H15 | 0.0° | 60.0° |
| O09 | P08 | O07 | O11 | 120.4° | 120.0° |
| O09 | P08 | O07 | C06 | 60.3° | 65.0° |
| O09 | P08 | O11 | H15 | 119.4° | 60.0° |
| P08 | O07 | C06 | C05 | 170.4° | 180.0° |
| P08 | O07 | C06 | H5 | 51.3° | 60.0° |
| P08 | O07 | C06 | H6 | 70.5° | 60.0° |
| O07 | P08 | O09 | H14 | 119.0° | 60.0° |
| O07 | P08 | O11 | H15 | 120.5° | 180.0° |
| O11 | P08 | O07 | C06 | 60.1° | 175.0° |
| O11 | P08 | O09 | H14 | 120.8° | 60.0° |
| O07 | C06 | C05 | H5 | 119.1° | 120.0° |
| O07 | C06 | C05 | H6 | 119.2° | 120.0° |
| O07 | C06 | C05 | C04 | 67.0° | 0.0° |
| O07 | C06 | C05 | C12 | 111.3° | 179.8° |
| O07 | C06 | H5 | H6 | 122.5° | 120.0° |
| C06 | C05 | C04 | C12 | 178.4° | 179.8° |
| C06 | C05 | C04 | N03 | 179.2° | 180.0° |
| C06 | C05 | C12 | C31 | 178.9° | 179.8° |
| C06 | C05 | C12 | C13 | 2.0° | 0.3° |
| C06 | C05 | C04 | H4 | 0.8° | 0.2° |
| C05 | C06 | H5 | H6 | 122.5° | 120.0° |
| C05 | C04 | N03 | H4 | 180.0° | 179.7° |
| C05 | C04 | N03 | C02 | 0.3° | 0.0° |
| C04 | C05 | C12 | C31 | 0.7° | 0.5° |
| C04 | C05 | C12 | C13 | 179.7° | 180.0° |
| C04 | C05 | C06 | H5 | 173.9° | 120.0° |
| C04 | C05 | C06 | H6 | 52.2° | 120.0° |
| N03 | C04 | C05 | C12 | 0.8° | 0.2° |
| C04 | N03 | C02 | C31 | 0.3° | 0.0° |
| C04 | N03 | C02 | C01 | 179.7° | 179.8° |
| C05 | C12 | C31 | C02 | 0.1° | 0.4° |
| C05 | C12 | C31 | C13 | 179.2° | 179.5° |
| C05 | C12 | C31 | O32 | 179.8° | 179.5° |
| C05 | C12 | C13 | N24 | 2.2° | 90.0° |
| C12 | C05 | C04 | H4 | 179.3° | 180.0° |
| C12 | C05 | C06 | H5 | 7.9° | 59.8° |
| C12 | C05 | C06 | H6 | 129.6° | 60.3° |
| C05 | C12 | C13 | H7 | 120.9° | 150.0° |
| C05 | C12 | C13 | H8 | 125.3° | 30.0° |
| N03 | C02 | C31 | C01 | 179.4° | 179.8° |
| N03 | C02 | C31 | C12 | 0.4° | 0.2° |
| N03 | C02 | C31 | O32 | 179.7° | 179.8° |
| N03 | C02 | C01 | H1 | 0.0° | 90.3° |
| N03 | C02 | C01 | H2 | 120.0° | 29.7° |
| N03 | C02 | C01 | H3 | 120.0° | 149.7° |
| C02 | N03 | C04 | H4 | 179.7° | 179.7° |
| C02 | C31 | C12 | O32 | 179.9° | 179.9° |
| C02 | C31 | C12 | C13 | 179.3° | 179.9° |
| C31 | C02 | C01 | H1 | 179.4° | 89.9° |
| C31 | C02 | C01 | H2 | 59.4° | 150.0° |
| C31 | C02 | C01 | H3 | 60.6° | 30.1° |
| C02 | C31 | O32 | H17 | 180.0° | 90.0° |
| C01 | C02 | C31 | C12 | 179.8° | 180.0° |
| C01 | C02 | C31 | O32 | 0.3° | 0.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C31 | C12 | C13 | N24 | 178.8° | 90.5° |
| C31 | C12 | C13 | H7 | 58.1° | 29.5° |
| C31 | C12 | C13 | H8 | 55.6° | 149.5° |
| C12 | C31 | O32 | H17 | 0.0° | 90.0° |
| C13 | C12 | C31 | O32 | 0.6° | 0.0° |
| C12 | C13 | N24 | H7 | 123.1° | 120.0° |
| C12 | C13 | N24 | H8 | 123.2° | 120.0° |
| C12 | C13 | N24 | C25 | 173.6° | 118.2° |
| C12 | C13 | H7 | H8 | 108.8° | 120.0° |
| C27 | C26 | C25 | N24 | 33.2° | 85.0° |
| C27 | C26 | C25 | H9 | 119.7° | 120.0° |
| C27 | C26 | C25 | H10 | 119.7° | 120.0° |
| C27 | C26 | C25 | C28 | 146.5° | 95.0° |
| C27 | C26 | H9 | H10 | 120.8° | 120.0° |
| C26 | C27 | H11 | H12 | 120.0° | 120.0° |
| C26 | C27 | H11 | H13 | 120.0° | 120.0° |
| C26 | C27 | H12 | H13 | 120.0° | 120.0° |
| C13 | N24 | C25 | C26 | 179.9° | 174.2° |
| C13 | N24 | C25 | C28 | 0.3° | 5.8° |
| N24 | C13 | H7 | H8 | 108.8° | 120.0° |
| N24 | C25 | C26 | C28 | 179.7° | 180.0° |
| N24 | C25 | C28 | O30 | 2.2° | 96.0° |
| N24 | C25 | C28 | O29 | 178.0° | 84.0° |
| C25 | N24 | C13 | H7 | 63.3° | 1.8° |
| C25 | N24 | C13 | H8 | 50.4° | 121.8° |
| N24 | C25 | C26 | H9 | 86.5° | 35.0° |
| N24 | C25 | C26 | H10 | 152.9° | 155.0° |
| C26 | C25 | C28 | O30 | 177.5° | 84.0° |
| C26 | C25 | C28 | O29 | 2.3° | 96.0° |
| C25 | C26 | H9 | H10 | 120.8° | 120.0° |
| C25 | C26 | C27 | H11 | 180.0° | 180.0° |
| C25 | C26 | C27 | H12 | 60.0° | 60.0° |
| C25 | C26 | C27 | H13 | 60.0° | 60.0° |
| C25 | C28 | O30 | O29 | 179.8° | 180.0° |
| C28 | C25 | C26 | H9 | 93.7° | 145.0° |
| C28 | C25 | C26 | H10 | 26.8° | 25.0° |
| C25 | C28 | O29 | H16 | 179.8° | 180.0° |
| O30 | C28 | O29 | H16 | 0.0° | 0.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H9 | C26 | C27 | H11 | 60.3° | 60.0° |
| H9 | C26 | C27 | H12 | 59.7° | 180.0° |
| H9 | C26 | C27 | H13 | 179.7° | 60.0° |
| H10 | C26 | C27 | H11 | 60.3° | 60.0° |
| H10 | C26 | C27 | H12 | 179.7° | 60.0° |
| H10 | C26 | C27 | H13 | 59.8° | 180.0° |
| H11 | C27 | H12 | H13 | 120.0° | 120.0° |
