P70
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | P15 | doub | 1.48Å | 1.53Å | |
| O16 | P15 | sing | 1.61Å | 1.57Å | |
| P15 | O17 | sing | 1.61Å | 1.52Å | |
| P15 | O14 | sing | 1.61Å | 1.64Å | |
| O14 | C13 | sing | 1.43Å | 1.42Å | |
| C13 | C12 | sing | 1.51Å | 1.56Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | N10 | sing | 1.32Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | C03 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.48Å | 1.48Å | |
| C05 | N04 | doub | 1.29Å | 1.31Å | |
| C22 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C06 | C07 | doub | 1.40Å | 1.51Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | N04 | sing | 1.46Å | 1.50Å | |
| C03 | C02 | sing | 1.51Å | 1.71Å | |
| N10 | C08 | doub | 1.32Å | 1.33Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.51Å | Aromatic |
| C07 | O19 | sing | 1.36Å | 1.25Å | |
| C08 | C09 | sing | 1.51Å | 1.55Å | |
| C02 | O27 | doub | 1.21Å | 1.24Å | |
| C02 | O01 | sing | 1.34Å | 1.23Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| O01 | H4 | sing | 0.97Å | 0.95Å | |
| O16 | H5 | sing | 0.97Å | 0.95Å | |
| O17 | H6 | sing | 0.97Å | 0.95Å | |
| O19 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | P15 | O16 | 115.1° | 109.5° |
| O18 | P15 | O17 | 113.8° | 109.5° |
| O18 | P15 | O14 | 108.1° | 109.4° |
| O16 | P15 | O17 | 113.5° | 109.5° |
| O16 | P15 | O14 | 99.3° | 109.5° |
| P15 | O16 | H5 | 109.5° | 114.0° |
| O17 | P15 | O14 | 105.3° | 109.5° |
| P15 | O17 | H6 | 109.5° | 114.0° |
| P15 | O14 | C13 | 115.8° | 123.0° |
| O14 | C13 | C12 | 109.0° | 109.5° |
| O14 | C13 | H131 | 109.6° | 109.5° |
| O14 | C13 | H132 | 109.6° | 109.4° |
| C13 | C12 | C11 | 117.8° | 120.5° |
| C13 | C12 | C06 | 122.4° | 120.5° |
| C12 | C13 | H131 | 109.6° | 109.5° |
| C12 | C13 | H132 | 109.6° | 109.5° |
| C11 | C12 | C06 | 119.7° | 119.0° |
| C12 | C11 | N10 | 122.8° | 121.1° |
| C12 | C11 | H111 | 118.6° | 119.4° |
| C12 | C06 | C05 | 124.6° | 120.9° |
| C12 | C06 | C07 | 118.8° | 118.1° |
| C11 | N10 | C08 | 122.0° | 122.2° |
| N10 | C11 | H111 | 118.6° | 119.5° |
| C21 | C20 | C03 | 118.5° | 109.4° |
| C20 | C21 | C22 | 122.6° | 120.0° |
| C20 | C21 | C26 | 121.2° | 120.0° |
| C21 | C20 | H202 | 107.2° | 109.5° |
| C21 | C20 | H201 | 107.2° | 109.5° |
| C20 | C03 | N04 | 116.4° | 109.5° |
| C20 | C03 | C02 | 114.5° | 109.5° |
| C20 | C03 | H031 | 107.4° | 109.5° |
| C03 | C20 | H202 | 107.2° | 109.5° |
| C03 | C20 | H201 | 107.2° | 109.5° |
| C06 | C05 | N04 | 127.1° | 120.0° |
| C05 | C06 | C07 | 116.5° | 121.0° |
| C06 | C05 | H051 | 116.5° | 120.0° |
| C05 | N04 | C03 | 134.7° | 120.0° |
| N04 | C05 | H051 | 116.5° | 120.0° |
| C21 | C22 | C23 | 121.9° | 120.0° |
| C22 | C21 | C26 | 116.1° | 120.0° |
| C21 | C22 | H221 | 119.0° | 119.9° |
| C22 | C23 | C24 | 120.5° | 120.0° |
| C23 | C22 | H221 | 119.1° | 120.0° |
| C22 | C23 | H231 | 119.7° | 120.0° |
| C06 | C07 | C08 | 117.0° | 118.8° |
| C06 | C07 | O19 | 123.7° | 120.6° |
| C21 | C26 | C25 | 122.3° | 120.0° |
| C21 | C26 | H261 | 118.8° | 120.0° |
| C23 | C24 | C25 | 118.7° | 120.0° |
| C24 | C23 | H231 | 119.7° | 120.0° |
| C23 | C24 | H241 | 120.6° | 120.0° |
| N04 | C03 | C02 | 104.5° | 109.5° |
| N04 | C03 | H031 | 107.8° | 109.5° |
| C03 | C02 | O27 | 109.0° | 120.0° |
| C03 | C02 | O01 | 117.8° | 120.0° |
| C02 | C03 | H031 | 105.6° | 109.5° |
| N10 | C08 | C07 | 119.6° | 120.8° |
| N10 | C08 | C09 | 117.8° | 119.6° |
| C26 | C25 | C24 | 120.4° | 119.9° |
| C26 | C25 | H251 | 119.8° | 120.0° |
| C25 | C26 | H261 | 118.8° | 120.0° |
| C25 | C24 | H241 | 120.6° | 120.0° |
| C24 | C25 | H251 | 119.8° | 120.0° |
| C08 | C07 | O19 | 119.3° | 120.6° |
| C07 | C08 | C09 | 122.5° | 119.6° |
| C07 | O19 | H1 | 109.5° | 114.0° |
| C08 | C09 | H091 | 109.5° | 109.5° |
| C08 | C09 | H093 | 109.4° | 109.5° |
| C08 | C09 | H092 | 109.5° | 109.5° |
| O27 | C02 | O01 | 133.2° | 120.0° |
| C02 | O01 | H4 | 109.5° | 117.0° |
| H091 | C09 | H093 | 109.5° | 109.4° |
| H091 | C09 | H092 | 109.4° | 109.5° |
| H093 | C09 | H092 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H202 | C20 | H201 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | P15 | O16 | O17 | 133.7° | 120.0° |
| O18 | P15 | O16 | O14 | 115.1° | 120.0° |
| O18 | P15 | O17 | O14 | 118.3° | 120.0° |
| O18 | P15 | O14 | C13 | 52.6° | 55.0° |
| O18 | P15 | O16 | H5 | 0.0° | 180.0° |
| O18 | P15 | O17 | H6 | 0.0° | 60.0° |
| O16 | P15 | O17 | O14 | 107.5° | 120.0° |
| O16 | P15 | O14 | C13 | 173.0° | 65.0° |
| O16 | P15 | O17 | H6 | 134.3° | 60.0° |
| O17 | P15 | O14 | C13 | 69.4° | 175.0° |
| O17 | P15 | O16 | H5 | 133.7° | 60.0° |
| P15 | O14 | C13 | C12 | 146.5° | 180.0° |
| P15 | O14 | C13 | H131 | 26.6° | 59.9° |
| P15 | O14 | C13 | H132 | 93.6° | 60.0° |
| O14 | P15 | O16 | H5 | 115.1° | 60.0° |
| O14 | P15 | O17 | H6 | 118.2° | 180.0° |
| O14 | C13 | C12 | H131 | 120.0° | 120.0° |
| O14 | C13 | C12 | H132 | 119.9° | 120.0° |
| O14 | C13 | C12 | C11 | 108.5° | 0.0° |
| O14 | C13 | C12 | C06 | 68.9° | 180.0° |
| O14 | C13 | H131 | H132 | 120.2° | 119.9° |
| C13 | C12 | C11 | C06 | 177.5° | 180.0° |
| C13 | C12 | C11 | N10 | 179.5° | 180.0° |
| C13 | C12 | C06 | C05 | 3.7° | 0.0° |
| C13 | C12 | C06 | C07 | 178.8° | 179.7° |
| C13 | C12 | C11 | H111 | 0.5° | 0.3° |
| C12 | C13 | H131 | H132 | 120.2° | 120.1° |
| C12 | C11 | N10 | H111 | 180.0° | 179.7° |
| C11 | C12 | C06 | C05 | 178.9° | 180.0° |
| C11 | C12 | C06 | C07 | 1.4° | 0.3° |
| C12 | C11 | N10 | C08 | 2.1° | 0.3° |
| C11 | C12 | C13 | H131 | 131.5° | 120.0° |
| C11 | C12 | C13 | H132 | 11.4° | 120.0° |
| C06 | C12 | C11 | N10 | 2.0° | 0.0° |
| C12 | C06 | C05 | C07 | 177.5° | 179.7° |
| C12 | C06 | C05 | N04 | 142.6° | 179.7° |
| C12 | C06 | C07 | C08 | 0.9° | 0.3° |
| C12 | C06 | C07 | O19 | 178.6° | 179.7° |
| C12 | C06 | C05 | H051 | 37.4° | 0.3° |
| C06 | C12 | C11 | H111 | 178.0° | 179.7° |
| C06 | C12 | C13 | H131 | 51.0° | 60.0° |
| C06 | C12 | C13 | H132 | 171.1° | 60.0° |
| C11 | N10 | C08 | C07 | 1.5° | 0.3° |
| C11 | N10 | C08 | C09 | 179.5° | 179.7° |
| C21 | C20 | C03 | H202 | 121.3° | 120.0° |
| C21 | C20 | C03 | H201 | 121.3° | 120.0° |
| C20 | C21 | C22 | C26 | 178.0° | 179.8° |
| C20 | C21 | C22 | C23 | 179.2° | 180.0° |
| C21 | C20 | C03 | N04 | 82.6° | 65.0° |
| C21 | C20 | C03 | C02 | 39.5° | 175.0° |
| C20 | C21 | C26 | C25 | 179.1° | 179.8° |
| C21 | C20 | C03 | H031 | 156.5° | 55.0° |
| C21 | C20 | H202 | H201 | 115.9° | 120.0° |
| C20 | C21 | C22 | H221 | 0.8° | 0.0° |
| C20 | C21 | C26 | H261 | 0.9° | 0.1° |
| C20 | C03 | N04 | C05 | 60.5° | 120.0° |
| C03 | C20 | C21 | C22 | 93.3° | 89.7° |
| C03 | C20 | C21 | C26 | 88.8° | 90.0° |
| C20 | C03 | N04 | C02 | 127.3° | 120.0° |
| C20 | C03 | N04 | H031 | 120.7° | 120.0° |
| C20 | C03 | C02 | H031 | 117.9° | 120.0° |
| C20 | C03 | C02 | O27 | 43.1° | 120.0° |
| C20 | C03 | C02 | O01 | 137.8° | 59.7° |
| C03 | C20 | H202 | H201 | 115.9° | 120.0° |
| C06 | C05 | N04 | H051 | 180.0° | 180.0° |
| C06 | C05 | N04 | C03 | 179.7° | 180.0° |
| C05 | C06 | C07 | C08 | 178.5° | 180.0° |
| C05 | C06 | C07 | O19 | 1.0° | 0.0° |
| N04 | C05 | C06 | C07 | 34.9° | 0.0° |
| C05 | N04 | C03 | C02 | 172.2° | 120.0° |
| C05 | N04 | C03 | H031 | 60.2° | 0.0° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.6° | 0.1° |
| C22 | C21 | C26 | C25 | 1.0° | 0.4° |
| C22 | C21 | C20 | H202 | 28.0° | 150.2° |
| C22 | C21 | C20 | H201 | 145.4° | 30.2° |
| C21 | C22 | C23 | H231 | 179.4° | 179.9° |
| C22 | C21 | C26 | H261 | 179.0° | 179.7° |
| C23 | C22 | C21 | C26 | 1.2° | 0.2° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.1° | 0.1° |
| C22 | C23 | C24 | H241 | 179.9° | 179.9° |
| C06 | C07 | C08 | N10 | 0.9° | 0.0° |
| C06 | C07 | C08 | O19 | 179.6° | 180.0° |
| C06 | C07 | C08 | C09 | 178.8° | 180.0° |
| C07 | C06 | C05 | H051 | 145.1° | 180.0° |
| C06 | C07 | O19 | H1 | 180.0° | 90.0° |
| C21 | C26 | C25 | H261 | 180.0° | 179.8° |
| C21 | C26 | C25 | C24 | 0.4° | 0.4° |
| C26 | C21 | C20 | H202 | 149.9° | 30.0° |
| C26 | C21 | C20 | H201 | 32.5° | 150.0° |
| C26 | C21 | C22 | H221 | 178.8° | 179.8° |
| C21 | C26 | C25 | H251 | 179.6° | 179.8° |
| C23 | C24 | C25 | C26 | 0.2° | 0.1° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C24 | C23 | C22 | H221 | 179.4° | 180.0° |
| C23 | C24 | C25 | H251 | 179.8° | 180.0° |
| N04 | C03 | C02 | H031 | 113.6° | 120.0° |
| N04 | C03 | C02 | O27 | 171.5° | 0.0° |
| N04 | C03 | C02 | O01 | 9.4° | 179.7° |
| C03 | N04 | C05 | H051 | 0.3° | 0.0° |
| N04 | C03 | C20 | H202 | 38.6° | 55.0° |
| N04 | C03 | C20 | H201 | 156.0° | 175.0° |
| C03 | C02 | O27 | O01 | 178.9° | 179.7° |
| C02 | C03 | C20 | H202 | 160.8° | 65.0° |
| C02 | C03 | C20 | H201 | 81.8° | 55.0° |
| C03 | C02 | O01 | H4 | 178.9° | 179.7° |
| N10 | C08 | C07 | C09 | 177.9° | 180.0° |
| N10 | C08 | C07 | O19 | 178.6° | 180.0° |
| N10 | C08 | C09 | H091 | 0.0° | 90.0° |
| N10 | C08 | C09 | H093 | 120.0° | 30.0° |
| N10 | C08 | C09 | H092 | 120.0° | 150.0° |
| C08 | N10 | C11 | H111 | 177.9° | 180.0° |
| C26 | C25 | C24 | H251 | 180.0° | 179.8° |
| C26 | C25 | C24 | H241 | 179.7° | 179.8° |
| C25 | C24 | C23 | H231 | 179.9° | 179.9° |
| C24 | C25 | C26 | H261 | 179.7° | 179.7° |
| C07 | C08 | C09 | H091 | 177.9° | 90.0° |
| C07 | C08 | C09 | H093 | 62.1° | 150.0° |
| C07 | C08 | C09 | H092 | 57.9° | 30.0° |
| C08 | C07 | O19 | H1 | 0.5° | 90.0° |
| O19 | C07 | C08 | C09 | 0.8° | 0.0° |
| C08 | C09 | H091 | H093 | 120.0° | 120.0° |
| C08 | C09 | H091 | H092 | 120.0° | 120.0° |
| C08 | C09 | H093 | H092 | 120.0° | 120.0° |
| O27 | C02 | C03 | H031 | 74.9° | 120.0° |
| O27 | C02 | O01 | H4 | 0.0° | 0.0° |
| O01 | C02 | C03 | H031 | 104.3° | 60.3° |
| H031 | C03 | C20 | H202 | 82.3° | 175.0° |
| H031 | C03 | C20 | H201 | 35.1° | 65.0° |
| H091 | C09 | H093 | H092 | 120.0° | 120.0° |
| H221 | C22 | C23 | H231 | 0.6° | 0.1° |
| H231 | C23 | C24 | H241 | 0.1° | 0.1° |
| H241 | C24 | C25 | H251 | 0.3° | 0.0° |
| H251 | C25 | C26 | H261 | 0.3° | 0.1° |
