46Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.60Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| OP1 | P | doub | 1.48Å | 1.47Å | |
| O5 | P | sing | 1.61Å | 1.70Å | |
| P | OP2 | sing | 1.61Å | 1.60Å | |
| P | OP3 | sing | 1.61Å | 1.63Å | |
| C2 | C1 | sing | 1.54Å | 1.54Å | |
| C1 | O4 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.55Å | 1.51Å | |
| C2 | F2 | sing | 1.40Å | 1.38Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.55Å | 1.56Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.44Å | 1.45Å | |
| C4 | O5 | sing | 1.43Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| CAF | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAI | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAP | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| OP3 | CAJ | sing | 1.43Å | 1.42Å | |
| CAJ | CAK | sing | 1.53Å | 1.53Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAK | CAP | sing | 1.51Å | 1.54Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C1 | C2 | 125.9° | 109.8° |
| O1 | C1 | O4 | 108.0° | 109.8° |
| O1 | C1 | H1 | 104.5° | 109.8° |
| OP1 | P | O5 | 115.3° | 109.5° |
| OP1 | P | OP2 | 112.6° | 109.5° |
| OP1 | P | OP3 | 107.0° | 109.5° |
| O5 | P | OP2 | 105.8° | 109.5° |
| O5 | P | OP3 | 110.1° | 109.4° |
| P | O5 | C4 | 125.8° | 122.9° |
| OP2 | P | OP3 | 105.6° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| P | OP3 | CAJ | 121.4° | 123.0° |
| C2 | C1 | O4 | 105.8° | 107.6° |
| C2 | C1 | H1 | 105.1° | 109.9° |
| C1 | C2 | C3 | 103.9° | 102.3° |
| C1 | C2 | F2 | 115.3° | 110.8° |
| C1 | C2 | H2 | 108.6° | 110.9° |
| O4 | C1 | H1 | 106.1° | 109.8° |
| C1 | O4 | C4 | 108.6° | 110.0° |
| C3 | C2 | F2 | 108.9° | 110.9° |
| C3 | C2 | H2 | 108.9° | 110.8° |
| C2 | C3 | O3 | 102.5° | 111.2° |
| C2 | C3 | C4 | 106.8° | 100.9° |
| C2 | C3 | H3 | 110.7° | 111.1° |
| F2 | C2 | H2 | 110.8° | 110.9° |
| O3 | C3 | C4 | 114.5° | 111.1° |
| O3 | C3 | H3 | 111.9° | 111.0° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 110.0° | 111.1° |
| C3 | C4 | O4 | 104.8° | 105.1° |
| C3 | C4 | O5 | 118.8° | 110.3° |
| C3 | C4 | H4 | 108.7° | 110.3° |
| O4 | C4 | O5 | 104.9° | 110.3° |
| O4 | C4 | H4 | 110.1° | 110.3° |
| O5 | C4 | H4 | 109.3° | 110.4° |
| CAF | CAE | CAG | 120.3° | 120.0° |
| CAF | CAE | HAE | 119.8° | 120.0° |
| CAE | CAF | CAH | 119.8° | 120.0° |
| CAE | CAF | HAF | 120.1° | 120.0° |
| CAG | CAE | HAE | 119.9° | 120.0° |
| CAE | CAG | CAI | 119.8° | 120.0° |
| CAE | CAG | HAG | 120.1° | 120.0° |
| CAH | CAF | HAF | 120.1° | 120.0° |
| CAF | CAH | CAP | 120.3° | 120.0° |
| CAF | CAH | HAH | 119.8° | 120.0° |
| CAI | CAG | HAG | 120.1° | 120.1° |
| CAG | CAI | CAP | 120.3° | 120.1° |
| CAG | CAI | HAI | 119.9° | 120.0° |
| CAP | CAH | HAH | 119.9° | 120.0° |
| CAH | CAP | CAI | 119.5° | 120.0° |
| CAH | CAP | CAK | 119.1° | 120.0° |
| CAP | CAI | HAI | 119.8° | 120.0° |
| CAI | CAP | CAK | 121.4° | 120.0° |
| OP3 | CAJ | CAK | 109.9° | 109.5° |
| OP3 | CAJ | HAJ | 109.4° | 109.5° |
| OP3 | CAJ | HAJA | 109.3° | 109.4° |
| CAK | CAJ | HAJ | 109.4° | 109.5° |
| CAK | CAJ | HAJA | 109.4° | 109.5° |
| CAJ | CAK | CAP | 114.7° | 109.5° |
| CAJ | CAK | HAK | 108.2° | 109.5° |
| CAJ | CAK | HAKA | 108.1° | 109.5° |
| HAJ | CAJ | HAJA | 109.5° | 109.5° |
| CAP | CAK | HAK | 108.1° | 109.5° |
| CAP | CAK | HAKA | 108.2° | 109.5° |
| HAK | CAK | HAKA | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O4 | 127.0° | 119.5° |
| O1 | C1 | C2 | H1 | 121.0° | 121.0° |
| O1 | C1 | O4 | H1 | 111.6° | 120.9° |
| O1 | C1 | C2 | C3 | 100.0° | 140.9° |
| O1 | C1 | C2 | F2 | 140.9° | 100.9° |
| O1 | C1 | C2 | H2 | 15.9° | 22.7° |
| O1 | C1 | O4 | C4 | 103.8° | 117.8° |
| HO1 | O1 | C1 | C2 | 180.0° | 179.5° |
| HO1 | O1 | C1 | O4 | 53.9° | 61.4° |
| HO1 | O1 | C1 | H1 | 58.7° | 59.5° |
| OP1 | P | O5 | OP2 | 125.2° | 120.0° |
| OP1 | P | O5 | OP3 | 121.2° | 120.0° |
| OP1 | P | OP2 | OP3 | 116.4° | 120.0° |
| OP1 | P | O5 | C4 | 0.2° | 55.0° |
| OP1 | P | OP3 | CAJ | 162.5° | 55.1° |
| OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
| O5 | P | OP2 | OP3 | 116.7° | 119.9° |
| P | O5 | C4 | C3 | 132.0° | 150.0° |
| P | O5 | C4 | O4 | 111.4° | 94.3° |
| P | O5 | C4 | H4 | 6.6° | 27.8° |
| O5 | P | OP3 | CAJ | 71.5° | 175.0° |
| O5 | P | OP2 | HOP2 | 126.9° | 60.0° |
| OP2 | P | O5 | C4 | 125.1° | 65.0° |
| OP2 | P | OP3 | CAJ | 42.3° | 65.0° |
| OP3 | P | O5 | C4 | 121.3° | 175.0° |
| P | OP3 | CAJ | CAK | 100.4° | 180.0° |
| P | OP3 | CAJ | HAJ | 19.6° | 60.0° |
| P | OP3 | CAJ | HAJA | 139.5° | 60.0° |
| OP3 | P | OP2 | HOP2 | 116.4° | 60.0° |
| C2 | C1 | O4 | H1 | 111.3° | 119.6° |
| C1 | C2 | C3 | F2 | 123.3° | 118.2° |
| C1 | C2 | C3 | H2 | 115.6° | 118.2° |
| C1 | C2 | F2 | H2 | 123.9° | 123.6° |
| C1 | C2 | C3 | O3 | 109.2° | 152.1° |
| C1 | C2 | C3 | C4 | 11.6° | 34.2° |
| C1 | C2 | C3 | H3 | 131.4° | 83.8° |
| C2 | C1 | O4 | C4 | 33.3° | 1.7° |
| O4 | C1 | C2 | C3 | 27.0° | 21.4° |
| O4 | C1 | C2 | F2 | 92.1° | 139.6° |
| O4 | C1 | C2 | H2 | 142.9° | 96.8° |
| C1 | O4 | C4 | C3 | 25.2° | 24.4° |
| C1 | O4 | C4 | O5 | 151.1° | 143.3° |
| C1 | O4 | C4 | H4 | 91.5° | 94.5° |
| H1 | C1 | C2 | C3 | 139.0° | 98.2° |
| H1 | C1 | C2 | F2 | 19.9° | 20.0° |
| H1 | C1 | C2 | H2 | 105.1° | 143.6° |
| H1 | C1 | O4 | C4 | 144.6° | 121.3° |
| C3 | C2 | F2 | H2 | 119.8° | 123.5° |
| C2 | C3 | O3 | C4 | 115.3° | 111.6° |
| C2 | C3 | O3 | H3 | 118.7° | 124.2° |
| C2 | C3 | C4 | H3 | 120.2° | 117.9° |
| C2 | C3 | O3 | HO3 | 180.0° | 61.4° |
| C2 | C3 | C4 | O4 | 7.4° | 36.4° |
| C2 | C3 | C4 | O5 | 124.0° | 155.3° |
| C2 | C3 | C4 | H4 | 110.3° | 82.4° |
| F2 | C2 | C3 | O3 | 127.5° | 89.7° |
| F2 | C2 | C3 | C4 | 111.7° | 152.4° |
| F2 | C2 | C3 | H3 | 8.0° | 34.4° |
| H2 | C2 | C3 | O3 | 6.5° | 33.8° |
| H2 | C2 | C3 | C4 | 127.2° | 84.1° |
| H2 | C2 | C3 | H3 | 113.0° | 158.0° |
| O3 | C3 | C4 | H3 | 127.0° | 124.1° |
| O3 | C3 | C4 | O4 | 120.1° | 154.4° |
| O3 | C3 | C4 | O5 | 123.2° | 86.7° |
| O3 | C3 | C4 | H4 | 2.4° | 35.5° |
| C4 | C3 | O3 | HO3 | 64.7° | 173.0° |
| C3 | C4 | O4 | O5 | 125.9° | 118.9° |
| C3 | C4 | O4 | H4 | 116.7° | 118.9° |
| C3 | C4 | O5 | H4 | 125.4° | 122.2° |
| H3 | C3 | O3 | HO3 | 61.4° | 62.8° |
| H3 | C3 | C4 | O4 | 112.8° | 81.5° |
| H3 | C3 | C4 | O5 | 3.8° | 37.4° |
| H3 | C3 | C4 | H4 | 129.5° | 159.7° |
| O4 | C4 | O5 | H4 | 118.0° | 122.2° |
| CAF | CAE | CAG | HAE | 180.0° | 179.7° |
| CAE | CAF | CAH | HAF | 180.0° | 179.9° |
| CAF | CAE | CAG | CAI | 0.0° | 0.4° |
| CAF | CAE | CAG | HAG | 180.0° | 179.7° |
| CAE | CAF | CAH | CAP | 0.1° | 0.1° |
| CAE | CAF | CAH | HAH | 179.9° | 180.0° |
| CAG | CAE | CAF | CAH | 0.0° | 0.1° |
| CAG | CAE | CAF | HAF | 179.9° | 180.0° |
| CAE | CAG | CAI | HAG | 180.0° | 179.9° |
| CAE | CAG | CAI | CAP | 0.1° | 0.6° |
| CAE | CAG | CAI | HAI | 179.9° | 179.9° |
| HAE | CAE | CAF | CAH | 179.9° | 179.8° |
| HAE | CAE | CAF | HAF | 0.1° | 0.3° |
| HAE | CAE | CAG | CAI | 180.0° | 179.9° |
| HAE | CAE | CAG | HAG | 0.1° | 0.0° |
| CAF | CAH | CAP | HAH | 180.0° | 179.9° |
| CAF | CAH | CAP | CAI | 0.3° | 0.3° |
| CAF | CAH | CAP | CAK | 179.6° | 180.0° |
| HAF | CAF | CAH | CAP | 179.9° | 179.9° |
| HAF | CAF | CAH | HAH | 0.1° | 0.1° |
| CAG | CAI | CAP | CAH | 0.3° | 0.5° |
| CAG | CAI | CAP | HAI | 180.0° | 179.5° |
| CAG | CAI | CAP | CAK | 179.6° | 179.7° |
| HAG | CAG | CAI | CAP | 179.9° | 179.5° |
| HAG | CAG | CAI | HAI | 0.1° | 0.0° |
| CAH | CAP | CAI | CAK | 179.3° | 179.8° |
| CAH | CAP | CAI | HAI | 179.7° | 180.0° |
| CAH | CAP | CAK | CAJ | 137.2° | 90.0° |
| CAH | CAP | CAK | HAK | 16.4° | 30.0° |
| CAH | CAP | CAK | HAKA | 102.1° | 150.0° |
| HAH | CAH | CAP | CAI | 179.8° | 179.8° |
| HAH | CAH | CAP | CAK | 0.4° | 0.0° |
| CAI | CAP | CAK | CAJ | 43.5° | 90.2° |
| CAI | CAP | CAK | HAK | 164.3° | 149.7° |
| CAI | CAP | CAK | HAKA | 77.3° | 29.7° |
| HAI | CAI | CAP | CAK | 0.4° | 0.2° |
| OP3 | CAJ | CAK | HAJ | 120.1° | 120.0° |
| OP3 | CAJ | CAK | HAJA | 120.0° | 120.0° |
| OP3 | CAJ | HAJ | HAJA | 119.8° | 119.9° |
| OP3 | CAJ | CAK | CAP | 68.4° | 180.0° |
| OP3 | CAJ | CAK | HAK | 52.4° | 60.0° |
| OP3 | CAJ | CAK | HAKA | 170.9° | 60.0° |
| CAK | CAJ | HAJ | HAJA | 119.8° | 120.1° |
| CAJ | CAK | CAP | HAK | 120.8° | 120.0° |
| CAJ | CAK | CAP | HAKA | 120.8° | 120.0° |
| CAJ | CAK | HAK | HAKA | 117.6° | 120.0° |
| HAJ | CAJ | CAK | CAP | 171.6° | 60.0° |
| HAJ | CAJ | CAK | HAK | 67.7° | 60.0° |
| HAJ | CAJ | CAK | HAKA | 50.8° | 180.0° |
| HAJA | CAJ | CAK | CAP | 51.7° | 60.0° |
| HAJA | CAJ | CAK | HAK | 172.5° | 180.0° |
| HAJA | CAJ | CAK | HAKA | 69.1° | 59.9° |
| CAP | CAK | HAK | HAKA | 117.6° | 120.0° |
