Z3P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.26Å | |
| C02 | O03 | sing | 1.34Å | 1.26Å | |
| C02 | C04 | sing | 1.51Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C05 | P06 | sing | 1.82Å | 1.86Å | |
| P06 | O07 | doub | 1.48Å | 1.52Å | |
| P06 | C08 | sing | 1.82Å | 1.86Å | |
| P06 | C13 | sing | 1.82Å | 1.87Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C09 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | O11 | doub | 1.21Å | 1.26Å | |
| C10 | O12 | sing | 1.34Å | 1.26Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | O16 | doub | 1.21Å | 1.26Å | |
| C15 | O17 | sing | 1.34Å | 1.27Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| O12 | H3 | sing | 0.97Å | 0.95Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| O17 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | O03 | 120.3° | 120.0° |
| O01 | C02 | C04 | 120.3° | 120.0° |
| O03 | C02 | C04 | 119.4° | 120.0° |
| C02 | O03 | H1 | 109.5° | 117.0° |
| C02 | C04 | C05 | 110.0° | 109.5° |
| C02 | C04 | H041 | 109.4° | 109.5° |
| C02 | C04 | H042 | 109.3° | 109.5° |
| C04 | C05 | P06 | 111.0° | 109.5° |
| C05 | C04 | H041 | 109.3° | 109.5° |
| C05 | C04 | H042 | 109.3° | 109.4° |
| C04 | C05 | H051 | 109.1° | 109.5° |
| C04 | C05 | H052 | 109.1° | 109.5° |
| C05 | P06 | O07 | 112.6° | 109.5° |
| C05 | P06 | C08 | 106.5° | 109.4° |
| C05 | P06 | C13 | 109.0° | 109.5° |
| P06 | C05 | H051 | 109.1° | 109.5° |
| P06 | C05 | H052 | 109.1° | 109.4° |
| O07 | P06 | C08 | 111.8° | 109.4° |
| O07 | P06 | C13 | 110.3° | 109.5° |
| C08 | P06 | C13 | 106.4° | 109.5° |
| P06 | C08 | C09 | 111.7° | 109.5° |
| P06 | C08 | H081 | 108.9° | 109.4° |
| P06 | C08 | H082 | 108.9° | 109.4° |
| P06 | C13 | C14 | 111.0° | 109.5° |
| P06 | C13 | H131 | 109.1° | 109.4° |
| P06 | C13 | H132 | 109.1° | 109.5° |
| C08 | C09 | C10 | 111.9° | 109.5° |
| C09 | C08 | H081 | 108.9° | 109.4° |
| C09 | C08 | H082 | 108.9° | 109.5° |
| C08 | C09 | H091 | 108.8° | 109.5° |
| C08 | C09 | H092 | 108.9° | 109.5° |
| C09 | C10 | O11 | 118.9° | 120.0° |
| C09 | C10 | O12 | 121.1° | 120.1° |
| C10 | C09 | H091 | 108.9° | 109.4° |
| C10 | C09 | H092 | 108.9° | 109.5° |
| O11 | C10 | O12 | 120.0° | 120.0° |
| C10 | O12 | H3 | 109.5° | 117.1° |
| C13 | C14 | C15 | 115.3° | 109.5° |
| C14 | C13 | H131 | 109.1° | 109.5° |
| C14 | C13 | H132 | 109.1° | 109.5° |
| C13 | C14 | H141 | 108.0° | 109.5° |
| C13 | C14 | H142 | 108.0° | 109.4° |
| C14 | C15 | O16 | 120.6° | 120.0° |
| C14 | C15 | O17 | 119.8° | 120.0° |
| C15 | C14 | H141 | 108.0° | 109.5° |
| C15 | C14 | H142 | 108.0° | 109.5° |
| O16 | C15 | O17 | 119.6° | 120.0° |
| C15 | O17 | H4 | 109.5° | 117.0° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.4° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | O03 | C04 | 178.9° | 179.8° |
| O01 | C02 | C04 | C05 | 171.2° | 0.0° |
| O01 | C02 | O03 | H1 | 0.0° | 0.0° |
| O01 | C02 | C04 | H041 | 68.8° | 120.0° |
| O01 | C02 | C04 | H042 | 51.1° | 120.0° |
| O03 | C02 | C04 | C05 | 7.8° | 179.7° |
| O03 | C02 | C04 | H041 | 112.3° | 60.2° |
| O03 | C02 | C04 | H042 | 127.9° | 59.8° |
| C02 | C04 | C05 | H041 | 120.1° | 120.0° |
| C02 | C04 | C05 | H042 | 120.1° | 120.0° |
| C02 | C04 | C05 | P06 | 178.7° | 180.0° |
| C04 | C02 | O03 | H1 | 179.0° | 179.8° |
| C02 | C04 | H041 | H042 | 119.8° | 120.0° |
| C02 | C04 | C05 | H051 | 58.5° | 59.9° |
| C02 | C04 | C05 | H052 | 61.0° | 60.1° |
| C04 | C05 | P06 | H051 | 120.2° | 120.1° |
| C04 | C05 | P06 | H052 | 120.3° | 120.0° |
| C04 | C05 | P06 | O07 | 54.3° | 55.0° |
| C04 | C05 | P06 | C08 | 177.1° | 65.0° |
| C04 | C05 | P06 | C13 | 68.4° | 175.0° |
| C05 | C04 | H041 | H042 | 119.7° | 120.0° |
| C04 | C05 | H051 | H052 | 119.3° | 120.0° |
| C05 | P06 | O07 | C08 | 119.8° | 120.0° |
| C05 | P06 | O07 | C13 | 122.0° | 120.0° |
| C05 | P06 | C08 | C13 | 116.2° | 120.0° |
| C05 | P06 | C08 | C09 | 51.9° | 61.5° |
| C05 | P06 | C13 | C14 | 54.5° | 175.0° |
| P06 | C05 | C04 | H041 | 61.2° | 60.0° |
| P06 | C05 | C04 | H042 | 58.6° | 60.0° |
| P06 | C05 | H051 | H052 | 119.3° | 119.9° |
| C05 | P06 | C08 | H081 | 172.2° | 178.5° |
| C05 | P06 | C08 | H082 | 68.4° | 58.5° |
| C05 | P06 | C13 | H131 | 174.8° | 65.0° |
| C05 | P06 | C13 | H132 | 65.7° | 55.0° |
| O07 | P06 | C08 | C13 | 120.5° | 120.0° |
| O07 | P06 | C08 | C09 | 71.4° | 178.5° |
| O07 | P06 | C13 | C14 | 178.6° | 54.9° |
| O07 | P06 | C05 | H051 | 174.6° | 175.0° |
| O07 | P06 | C05 | H052 | 66.0° | 65.0° |
| O07 | P06 | C08 | H081 | 48.9° | 58.5° |
| O07 | P06 | C08 | H082 | 168.3° | 61.5° |
| O07 | P06 | C13 | H131 | 61.2° | 174.9° |
| O07 | P06 | C13 | H132 | 58.4° | 65.1° |
| P06 | C08 | C09 | H081 | 120.3° | 120.0° |
| P06 | C08 | C09 | H082 | 120.3° | 120.0° |
| P06 | C08 | C09 | C10 | 179.4° | 179.0° |
| C08 | P06 | C13 | C14 | 60.0° | 65.0° |
| C08 | P06 | C05 | H051 | 62.6° | 55.0° |
| C08 | P06 | C05 | H052 | 56.9° | 175.0° |
| P06 | C08 | H081 | H082 | 119.0° | 120.0° |
| P06 | C08 | C09 | H091 | 60.3° | 61.0° |
| P06 | C08 | C09 | H092 | 59.0° | 58.9° |
| C08 | P06 | C13 | H131 | 60.3° | 54.9° |
| C08 | P06 | C13 | H132 | 179.8° | 175.0° |
| C13 | P06 | C08 | C09 | 168.1° | 58.5° |
| P06 | C13 | C14 | H131 | 120.3° | 120.0° |
| P06 | C13 | C14 | H132 | 120.2° | 120.0° |
| P06 | C13 | C14 | C15 | 174.2° | 179.4° |
| C13 | P06 | C05 | H051 | 51.8° | 65.0° |
| C13 | P06 | C05 | H052 | 171.3° | 55.0° |
| C13 | P06 | C08 | H081 | 71.6° | 61.5° |
| C13 | P06 | C08 | H082 | 47.8° | 178.5° |
| P06 | C13 | H131 | H132 | 119.3° | 120.0° |
| P06 | C13 | C14 | H141 | 53.4° | 60.6° |
| P06 | C13 | C14 | H142 | 64.9° | 59.4° |
| C08 | C09 | C10 | H091 | 120.3° | 120.0° |
| C08 | C09 | C10 | H092 | 120.4° | 120.1° |
| C08 | C09 | C10 | O11 | 176.7° | 0.0° |
| C08 | C09 | C10 | O12 | 3.0° | 180.0° |
| C09 | C08 | H081 | H082 | 119.0° | 120.1° |
| C08 | C09 | H091 | H092 | 118.9° | 120.0° |
| C09 | C10 | O11 | O12 | 179.7° | 180.0° |
| C10 | C09 | C08 | H081 | 59.1° | 59.0° |
| C10 | C09 | C08 | H082 | 60.3° | 61.0° |
| C10 | C09 | H091 | H092 | 118.9° | 120.0° |
| C09 | C10 | O12 | H3 | 179.7° | 180.0° |
| O11 | C10 | C09 | H091 | 63.0° | 120.0° |
| O11 | C10 | C09 | H092 | 56.3° | 120.0° |
| O11 | C10 | O12 | H3 | 0.0° | 0.0° |
| O12 | C10 | C09 | H091 | 117.4° | 60.0° |
| O12 | C10 | C09 | H092 | 123.3° | 60.0° |
| C13 | C14 | C15 | H141 | 120.8° | 120.0° |
| C13 | C14 | C15 | H142 | 120.9° | 120.0° |
| C13 | C14 | C15 | O16 | 22.0° | 0.0° |
| C13 | C14 | C15 | O17 | 159.1° | 180.0° |
| C14 | C13 | H131 | H132 | 119.3° | 120.0° |
| C13 | C14 | H141 | H142 | 117.4° | 120.0° |
| C14 | C15 | O16 | O17 | 179.0° | 180.0° |
| C15 | C14 | C13 | H131 | 65.5° | 59.4° |
| C15 | C14 | C13 | H132 | 54.0° | 60.6° |
| C15 | C14 | H141 | H142 | 117.4° | 120.0° |
| C14 | C15 | O17 | H4 | 179.0° | 180.0° |
| O16 | C15 | C14 | H141 | 98.9° | 120.0° |
| O16 | C15 | C14 | H142 | 142.8° | 120.0° |
| O16 | C15 | O17 | H4 | 0.0° | 0.0° |
| O17 | C15 | C14 | H141 | 80.1° | 60.0° |
| O17 | C15 | C14 | H142 | 38.2° | 60.0° |
| H041 | C04 | C05 | H051 | 178.6° | 180.0° |
| H041 | C04 | C05 | H052 | 59.1° | 60.0° |
| H042 | C04 | C05 | H051 | 61.6° | 60.0° |
| H042 | C04 | C05 | H052 | 178.9° | 180.0° |
| H081 | C08 | C09 | H091 | 179.4° | 179.0° |
| H081 | C08 | C09 | H092 | 61.3° | 61.0° |
| H082 | C08 | C09 | H091 | 60.0° | 58.9° |
| H082 | C08 | C09 | H092 | 179.3° | 178.9° |
| H131 | C13 | C14 | H141 | 173.7° | 179.4° |
| H131 | C13 | C14 | H142 | 55.4° | 60.6° |
| H132 | C13 | C14 | H141 | 66.8° | 59.4° |
| H132 | C13 | C14 | H142 | 174.9° | 179.4° |
