ULO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C15 | sing | 1.53Å | 1.53Å | |
| O11 | P10 | doub | 1.48Å | 1.46Å | |
| C15 | P10 | sing | 1.82Å | 1.86Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | C12 | sing | 1.53Å | 1.52Å | |
| P10 | C12 | sing | 1.82Å | 1.86Å | |
| P10 | C09 | sing | 1.82Å | 1.86Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C15 | P10 | 109.1° | 109.4° |
| C17 | C15 | C16 | 109.2° | 109.5° |
| C17 | C15 | H151 | 111.2° | 109.5° |
| C15 | C17 | H173 | 109.5° | 109.5° |
| C15 | C17 | H172 | 109.5° | 109.5° |
| C15 | C17 | H171 | 109.5° | 109.5° |
| O11 | P10 | C15 | 110.0° | 109.4° |
| O11 | P10 | C12 | 109.7° | 109.5° |
| O11 | P10 | C09 | 109.7° | 109.5° |
| P10 | C15 | C16 | 108.9° | 109.4° |
| C15 | P10 | C12 | 110.9° | 109.4° |
| C15 | P10 | C09 | 108.0° | 109.4° |
| P10 | C15 | H151 | 107.3° | 109.5° |
| C16 | C15 | H151 | 111.2° | 109.5° |
| C15 | C16 | H163 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C14 | C12 | P10 | 109.6° | 109.5° |
| C14 | C12 | C13 | 109.4° | 109.5° |
| C14 | C12 | H121 | 110.3° | 109.5° |
| C12 | C14 | H142 | 109.5° | 109.5° |
| C12 | C14 | H143 | 109.5° | 109.5° |
| C12 | C14 | H141 | 109.5° | 109.4° |
| C12 | P10 | C09 | 108.5° | 109.5° |
| P10 | C12 | C13 | 110.7° | 109.4° |
| P10 | C12 | H121 | 106.5° | 109.5° |
| P10 | C09 | C08 | 109.9° | 109.5° |
| P10 | C09 | H092 | 109.4° | 109.4° |
| P10 | C09 | H091 | 109.4° | 109.5° |
| C13 | C12 | H121 | 110.3° | 109.4° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H131 | 109.4° | 109.5° |
| C09 | C08 | C07 | 108.2° | 109.5° |
| C09 | C08 | H082 | 109.8° | 109.5° |
| C09 | C08 | H081 | 109.8° | 109.5° |
| C08 | C09 | H092 | 109.4° | 109.5° |
| C08 | C09 | H091 | 109.4° | 109.5° |
| C08 | C07 | C06 | 110.5° | 109.5° |
| C08 | C07 | H072 | 109.2° | 109.5° |
| C08 | C07 | H071 | 109.2° | 109.4° |
| C07 | C08 | H082 | 109.8° | 109.5° |
| C07 | C08 | H081 | 109.8° | 109.5° |
| C07 | C06 | C05 | 108.1° | 109.5° |
| C07 | C06 | H062 | 109.8° | 109.5° |
| C07 | C06 | H061 | 109.8° | 109.5° |
| C06 | C07 | H072 | 109.2° | 109.5° |
| C06 | C07 | H071 | 109.2° | 109.4° |
| C06 | C05 | C04 | 110.5° | 109.5° |
| C06 | C05 | H051 | 109.3° | 109.5° |
| C06 | C05 | H052 | 109.2° | 109.4° |
| C05 | C06 | H062 | 109.8° | 109.4° |
| C05 | C06 | H061 | 109.8° | 109.4° |
| C05 | C04 | C03 | 109.9° | 109.5° |
| C05 | C04 | H042 | 109.4° | 109.5° |
| C05 | C04 | H041 | 109.4° | 109.5° |
| C04 | C05 | H051 | 109.2° | 109.5° |
| C04 | C05 | H052 | 109.2° | 109.4° |
| C04 | C03 | C02 | 109.3° | 109.5° |
| C04 | C03 | H031 | 109.5° | 109.5° |
| C04 | C03 | H032 | 109.5° | 109.4° |
| C03 | C04 | H042 | 109.4° | 109.5° |
| C03 | C04 | H041 | 109.4° | 109.5° |
| C03 | C02 | C01 | 109.4° | 109.5° |
| C03 | C02 | H021 | 109.5° | 109.5° |
| C03 | C02 | H022 | 109.5° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 109.5° | 109.4° |
| C01 | C02 | H022 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H021 | C02 | H022 | 109.4° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.4° |
| H051 | C05 | H052 | 109.4° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.4° | 109.4° |
| H092 | C09 | H091 | 109.4° | 109.4° |
| H133 | C13 | H132 | 109.5° | 109.4° |
| H133 | C13 | H131 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.4° | 109.5° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H163 | C16 | H162 | 109.5° | 109.5° |
| H163 | C16 | H161 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.4° |
| H173 | C17 | H172 | 109.5° | 109.5° |
| H173 | C17 | H171 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C15 | P10 | O11 | 24.9° | 68.8° |
| C17 | C15 | P10 | C16 | 119.1° | 120.0° |
| C17 | C15 | P10 | H151 | 120.5° | 120.0° |
| C17 | C15 | C16 | H151 | 123.0° | 120.1° |
| C17 | C15 | P10 | C12 | 146.4° | 51.2° |
| C17 | C15 | P10 | C09 | 94.8° | 171.2° |
| C17 | C15 | C16 | H163 | 180.0° | 173.7° |
| C17 | C15 | C16 | H162 | 60.0° | 66.3° |
| C17 | C15 | C16 | H161 | 60.0° | 53.6° |
| C15 | C17 | H173 | H172 | 120.0° | 120.0° |
| C15 | C17 | H173 | H171 | 120.0° | 120.0° |
| C15 | C17 | H172 | H171 | 120.0° | 120.0° |
| O11 | P10 | C15 | C12 | 121.5° | 120.0° |
| O11 | P10 | C15 | C09 | 119.7° | 120.0° |
| O11 | P10 | C15 | C16 | 144.0° | 51.2° |
| O11 | P10 | C12 | C14 | 14.9° | 175.1° |
| O11 | P10 | C12 | C09 | 119.8° | 120.1° |
| O11 | P10 | C12 | C13 | 105.8° | 55.1° |
| O11 | P10 | C09 | C08 | 56.7° | 50.7° |
| O11 | P10 | C09 | H092 | 176.8° | 69.3° |
| O11 | P10 | C09 | H091 | 63.3° | 170.7° |
| O11 | P10 | C12 | H121 | 134.2° | 64.9° |
| O11 | P10 | C15 | H151 | 95.6° | 171.2° |
| P10 | C15 | C16 | H151 | 118.0° | 120.0° |
| C15 | P10 | C12 | C14 | 136.6° | 64.9° |
| C15 | P10 | C12 | C09 | 118.4° | 119.9° |
| C15 | P10 | C12 | C13 | 15.9° | 175.0° |
| C15 | P10 | C09 | C08 | 176.6° | 69.3° |
| C15 | P10 | C09 | H092 | 63.3° | 170.7° |
| C15 | P10 | C09 | H091 | 56.5° | 50.7° |
| C15 | P10 | C12 | H121 | 104.1° | 55.1° |
| P10 | C15 | C16 | H163 | 61.0° | 66.4° |
| P10 | C15 | C16 | H162 | 179.0° | 53.7° |
| P10 | C15 | C16 | H161 | 59.0° | 173.6° |
| P10 | C15 | C17 | H173 | 180.0° | 60.0° |
| P10 | C15 | C17 | H172 | 60.0° | 180.0° |
| P10 | C15 | C17 | H171 | 60.0° | 60.0° |
| C16 | C15 | P10 | C12 | 94.5° | 171.2° |
| C16 | C15 | P10 | C09 | 24.3° | 68.8° |
| C15 | C16 | H163 | H162 | 120.0° | 120.0° |
| C15 | C16 | H163 | H161 | 120.0° | 120.0° |
| C15 | C16 | H162 | H161 | 120.0° | 120.0° |
| C16 | C15 | C17 | H173 | 61.1° | 180.0° |
| C16 | C15 | C17 | H172 | 178.9° | 60.0° |
| C16 | C15 | C17 | H171 | 58.9° | 60.0° |
| C14 | C12 | P10 | C13 | 120.7° | 120.0° |
| C14 | C12 | P10 | H121 | 119.3° | 120.0° |
| C14 | C12 | P10 | C09 | 105.0° | 55.0° |
| C14 | C12 | C13 | H121 | 121.5° | 120.0° |
| C14 | C12 | C13 | H133 | 180.0° | 175.2° |
| C14 | C12 | C13 | H132 | 60.0° | 55.2° |
| C14 | C12 | C13 | H131 | 60.0° | 64.8° |
| C12 | C14 | H142 | H143 | 120.0° | 120.0° |
| C12 | C14 | H142 | H141 | 120.0° | 119.9° |
| C12 | C14 | H143 | H141 | 120.0° | 119.9° |
| P10 | C12 | C13 | H121 | 117.7° | 120.0° |
| C12 | P10 | C09 | C08 | 63.1° | 170.7° |
| C12 | P10 | C09 | H092 | 57.0° | 50.8° |
| C12 | P10 | C09 | H091 | 176.8° | 69.2° |
| P10 | C12 | C13 | H133 | 59.1° | 55.2° |
| P10 | C12 | C13 | H132 | 179.2° | 64.8° |
| P10 | C12 | C13 | H131 | 60.9° | 175.2° |
| P10 | C12 | C14 | H142 | 180.0° | 60.0° |
| P10 | C12 | C14 | H143 | 60.0° | 60.0° |
| P10 | C12 | C14 | H141 | 60.0° | 180.0° |
| C12 | P10 | C15 | H151 | 25.9° | 68.8° |
| C09 | P10 | C12 | C13 | 134.3° | 65.0° |
| P10 | C09 | C08 | H092 | 120.1° | 120.0° |
| P10 | C09 | C08 | H091 | 120.1° | 120.1° |
| P10 | C09 | C08 | C07 | 152.9° | 171.1° |
| P10 | C09 | C08 | H082 | 87.3° | 68.9° |
| P10 | C09 | C08 | H081 | 33.1° | 51.1° |
| P10 | C09 | H092 | H091 | 119.8° | 120.0° |
| C09 | P10 | C12 | H121 | 14.4° | 175.0° |
| C09 | P10 | C15 | H151 | 144.7° | 51.2° |
| C12 | C13 | H133 | H132 | 120.0° | 120.0° |
| C12 | C13 | H133 | H131 | 120.0° | 120.1° |
| C12 | C13 | H132 | H131 | 120.0° | 120.0° |
| C13 | C12 | C14 | H142 | 58.5° | 60.0° |
| C13 | C12 | C14 | H143 | 178.5° | 180.0° |
| C13 | C12 | C14 | H141 | 61.5° | 60.0° |
| C09 | C08 | C07 | H082 | 119.8° | 120.0° |
| C09 | C08 | C07 | H081 | 119.8° | 120.0° |
| C09 | C08 | C07 | C06 | 172.7° | 180.0° |
| C09 | C08 | C07 | H072 | 67.2° | 60.0° |
| C09 | C08 | C07 | H071 | 52.5° | 60.0° |
| C09 | C08 | H082 | H081 | 120.6° | 120.0° |
| C08 | C09 | H092 | H091 | 119.8° | 120.0° |
| C08 | C07 | C06 | H072 | 120.2° | 120.0° |
| C08 | C07 | C06 | H071 | 120.2° | 119.9° |
| C08 | C07 | C06 | C05 | 176.2° | 180.0° |
| C08 | C07 | C06 | H062 | 56.5° | 60.0° |
| C08 | C07 | C06 | H061 | 63.9° | 60.0° |
| C08 | C07 | H072 | H071 | 119.5° | 120.0° |
| C07 | C08 | H082 | H081 | 120.6° | 120.0° |
| C07 | C08 | C09 | H092 | 32.8° | 51.1° |
| C07 | C08 | C09 | H091 | 87.0° | 68.8° |
| C07 | C06 | C05 | H062 | 119.8° | 120.1° |
| C07 | C06 | C05 | H061 | 119.8° | 120.0° |
| C07 | C06 | C05 | C04 | 113.8° | 180.0° |
| C07 | C06 | C05 | H051 | 126.1° | 60.0° |
| C07 | C06 | C05 | H052 | 6.4° | 60.1° |
| C07 | C06 | H062 | H061 | 120.6° | 120.1° |
| C06 | C07 | H072 | H071 | 119.5° | 120.0° |
| C06 | C07 | C08 | H082 | 52.8° | 60.0° |
| C06 | C07 | C08 | H081 | 67.5° | 60.0° |
| C06 | C05 | C04 | H051 | 120.2° | 120.0° |
| C06 | C05 | C04 | H052 | 120.2° | 119.9° |
| C06 | C05 | C04 | C03 | 144.5° | 180.0° |
| C06 | C05 | C04 | H042 | 24.4° | 60.0° |
| C06 | C05 | C04 | H041 | 95.5° | 60.0° |
| C06 | C05 | H051 | H052 | 119.5° | 120.0° |
| C05 | C06 | H062 | H061 | 120.6° | 119.9° |
| C05 | C06 | C07 | H072 | 63.6° | 60.0° |
| C05 | C06 | C07 | H071 | 56.1° | 60.1° |
| C05 | C04 | C03 | H042 | 120.1° | 120.0° |
| C05 | C04 | C03 | H041 | 120.1° | 120.0° |
| C05 | C04 | C03 | C02 | 166.8° | 180.0° |
| C05 | C04 | C03 | H031 | 73.2° | 60.0° |
| C05 | C04 | C03 | H032 | 46.8° | 60.1° |
| C05 | C04 | H042 | H041 | 119.8° | 120.0° |
| C04 | C05 | H051 | H052 | 119.5° | 120.0° |
| C04 | C05 | C06 | H062 | 6.0° | 59.9° |
| C04 | C05 | C06 | H061 | 126.4° | 60.0° |
| C04 | C03 | C02 | H031 | 120.0° | 120.0° |
| C04 | C03 | C02 | H032 | 120.0° | 119.9° |
| C04 | C03 | C02 | C01 | 174.6° | 180.0° |
| C04 | C03 | C02 | H021 | 54.6° | 60.0° |
| C04 | C03 | C02 | H022 | 65.4° | 60.0° |
| C04 | C03 | H031 | H032 | 120.1° | 120.0° |
| C03 | C04 | H042 | H041 | 119.8° | 120.0° |
| C03 | C04 | C05 | H051 | 95.3° | 60.0° |
| C03 | C04 | C05 | H052 | 24.3° | 60.1° |
| C03 | C02 | C01 | H021 | 120.0° | 120.1° |
| C03 | C02 | C01 | H022 | 120.0° | 120.0° |
| C03 | C02 | C01 | H013 | 180.0° | 60.0° |
| C03 | C02 | C01 | H011 | 60.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 180.0° |
| C03 | C02 | H021 | H022 | 120.0° | 120.1° |
| C02 | C03 | H031 | H032 | 120.1° | 120.0° |
| C02 | C03 | C04 | H042 | 46.7° | 60.0° |
| C02 | C03 | C04 | H041 | 73.1° | 60.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.1° |
| C01 | C02 | H021 | H022 | 120.0° | 119.9° |
| C01 | C02 | C03 | H031 | 65.4° | 60.0° |
| C01 | C02 | C03 | H032 | 54.6° | 60.1° |
| H013 | C01 | H011 | H012 | 120.0° | 119.9° |
| H013 | C01 | C02 | H021 | 60.0° | 60.0° |
| H013 | C01 | C02 | H022 | 60.0° | 180.0° |
| H011 | C01 | C02 | H021 | NaN° | 180.0° |
| H011 | C01 | C02 | H022 | 60.0° | 60.0° |
| H012 | C01 | C02 | H021 | 60.0° | 59.9° |
| H012 | C01 | C02 | H022 | 180.0° | 60.0° |
| H021 | C02 | C03 | H031 | 174.6° | 180.0° |
| H021 | C02 | C03 | H032 | 65.4° | 59.9° |
| H022 | C02 | C03 | H031 | 54.6° | 60.0° |
| H022 | C02 | C03 | H032 | 174.6° | 180.0° |
| H031 | C03 | C04 | H042 | 166.7° | 180.0° |
| H031 | C03 | C04 | H041 | 46.8° | 60.0° |
| H032 | C03 | C04 | H042 | 73.2° | 60.0° |
| H032 | C03 | C04 | H041 | 166.9° | 180.0° |
| H042 | C04 | C05 | H051 | 144.6° | 180.0° |
| H042 | C04 | C05 | H052 | 95.8° | 60.0° |
| H041 | C04 | C05 | H051 | 24.7° | 60.0° |
| H041 | C04 | C05 | H052 | 144.4° | 180.0° |
| H051 | C05 | C06 | H062 | 114.1° | 180.0° |
| H051 | C05 | C06 | H061 | 6.3° | 60.0° |
| H052 | C05 | C06 | H062 | 126.2° | 60.0° |
| H052 | C05 | C06 | H061 | 113.4° | 179.9° |
| H062 | C06 | C07 | H072 | 176.6° | 180.0° |
| H062 | C06 | C07 | H071 | 63.7° | 59.9° |
| H061 | C06 | C07 | H072 | 56.2° | 60.0° |
| H061 | C06 | C07 | H071 | 175.9° | 180.0° |
| H072 | C07 | C08 | H082 | 173.0° | 180.0° |
| H072 | C07 | C08 | H081 | 52.6° | 60.0° |
| H071 | C07 | C08 | H082 | 67.3° | 60.0° |
| H071 | C07 | C08 | H081 | 172.3° | 180.0° |
| H082 | C08 | C09 | H092 | 152.6° | 171.1° |
| H082 | C08 | C09 | H091 | 32.8° | 51.2° |
| H081 | C08 | C09 | H092 | 87.0° | 68.9° |
| H081 | C08 | C09 | H091 | 153.2° | 171.1° |
| H121 | C12 | C13 | H133 | 58.5° | 64.8° |
| H121 | C12 | C13 | H132 | 61.5° | 175.2° |
| H121 | C12 | C13 | H131 | 178.5° | 55.2° |
| H121 | C12 | C14 | H142 | 63.0° | 180.0° |
| H121 | C12 | C14 | H143 | 57.0° | 60.0° |
| H121 | C12 | C14 | H141 | 177.0° | 60.0° |
| H133 | C13 | H132 | H131 | 120.0° | 120.0° |
| H142 | C14 | H143 | H141 | 120.0° | 120.1° |
| H151 | C15 | C16 | H163 | 57.0° | 53.6° |
| H151 | C15 | C16 | H162 | 63.0° | 173.6° |
| H151 | C15 | C16 | H161 | 177.0° | 66.4° |
| H151 | C15 | C17 | H173 | 61.9° | 60.0° |
| H151 | C15 | C17 | H172 | 58.1° | 60.1° |
| H151 | C15 | C17 | H171 | 178.1° | 180.0° |
| H163 | C16 | H162 | H161 | 120.0° | 120.0° |
| H173 | C17 | H172 | H171 | 120.0° | 120.0° |
