I9X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | P08 | doub | 1.48Å | 1.46Å | |
| O07 | P08 | sing | 1.62Å | 1.65Å | |
| O07 | C05 | sing | 1.44Å | 1.21Å | |
| O11 | P08 | sing | 1.61Å | 1.65Å | |
| P08 | O10 | sing | 1.63Å | 1.33Å | |
| O06 | C02 | sing | 1.43Å | 1.36Å | |
| O06 | C05 | sing | 1.43Å | 1.49Å | |
| C02 | C01 | sing | 1.53Å | 1.42Å | |
| C02 | C03 | sing | 1.54Å | 1.73Å | |
| C05 | C04 | sing | 1.55Å | 1.71Å | |
| C01 | O13 | sing | 1.43Å | 1.40Å | |
| O17 | P14 | doub | 1.48Å | 1.51Å | |
| O10 | C04 | sing | 1.45Å | 1.45Å | |
| C04 | C03 | sing | 1.55Å | 1.21Å | |
| O13 | P14 | sing | 1.61Å | 1.65Å | |
| C03 | O12 | sing | 1.43Å | 1.46Å | |
| O16 | P14 | sing | 1.61Å | 1.51Å | |
| P14 | O15 | sing | 1.61Å | 1.51Å | |
| O15 | H1 | sing | 0.97Å | 0.95Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| O11 | H111 | sing | 0.97Å | 0.95Å | |
| O12 | H121 | sing | 0.97Å | 0.95Å | |
| O16 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | P08 | O07 | 109.3° | 110.6° |
| O09 | P08 | O11 | 109.4° | 110.6° |
| O09 | P08 | O10 | 109.2° | 110.5° |
| P08 | O07 | C05 | 108.2° | 104.9° |
| O07 | P08 | O11 | 108.5° | 110.6° |
| O07 | P08 | O10 | 111.4° | 103.9° |
| O07 | C05 | O06 | 111.8° | 110.8° |
| O07 | C05 | C04 | 106.2° | 107.6° |
| O07 | C05 | H051 | 114.9° | 110.9° |
| O11 | P08 | O10 | 109.0° | 110.5° |
| P08 | O11 | H111 | 109.5° | 114.0° |
| P08 | O10 | C04 | 106.8° | 102.8° |
| C02 | O06 | C05 | 105.5° | 110.2° |
| O06 | C02 | C01 | 110.0° | 109.8° |
| O06 | C02 | C03 | 105.9° | 107.6° |
| O06 | C02 | H021 | 111.8° | 109.9° |
| O06 | C05 | C04 | 105.8° | 105.7° |
| O06 | C05 | H051 | 110.1° | 110.8° |
| C01 | C02 | C03 | 111.4° | 109.8° |
| C02 | C01 | O13 | 109.9° | 109.4° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C01 | H011 | 109.4° | 109.5° |
| C01 | C02 | H021 | 110.7° | 109.8° |
| C02 | C03 | C04 | 106.0° | 102.6° |
| C02 | C03 | O12 | 109.8° | 110.8° |
| C03 | C02 | H021 | 106.9° | 109.8° |
| C02 | C03 | H031 | 106.6° | 110.8° |
| C05 | C04 | O10 | 105.7° | 105.8° |
| C05 | C04 | C03 | 105.4° | 101.1° |
| C05 | C04 | H041 | 107.3° | 113.6° |
| C04 | C05 | H051 | 107.4° | 110.9° |
| C01 | O13 | P14 | 117.8° | 123.0° |
| O13 | C01 | H012 | 109.4° | 109.5° |
| O13 | C01 | H011 | 109.4° | 109.5° |
| O17 | P14 | O13 | 109.6° | 109.4° |
| O17 | P14 | O16 | 109.2° | 109.5° |
| O17 | P14 | O15 | 109.3° | 109.5° |
| O10 | C04 | C03 | 112.6° | 108.4° |
| O10 | C04 | H041 | 110.5° | 113.4° |
| C04 | C03 | O12 | 110.4° | 110.8° |
| C04 | C03 | H031 | 114.1° | 110.9° |
| C03 | C04 | H041 | 114.8° | 113.6° |
| O13 | P14 | O16 | 109.6° | 109.5° |
| O13 | P14 | O15 | 109.9° | 109.4° |
| O12 | C03 | H031 | 109.7° | 110.7° |
| C03 | O12 | H121 | 109.5° | 114.0° |
| O16 | P14 | O15 | 109.3° | 109.5° |
| P14 | O16 | H2 | 109.5° | 114.0° |
| P14 | O15 | H1 | 109.5° | 114.0° |
| H012 | C01 | H011 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | P08 | O07 | O11 | 119.2° | 122.8° |
| O09 | P08 | O07 | O10 | 120.7° | 118.6° |
| O09 | P08 | O07 | C05 | 108.9° | 117.3° |
| O09 | P08 | O11 | O10 | 119.3° | 122.7° |
| O09 | P08 | O10 | C04 | 117.5° | 140.8° |
| O09 | P08 | O11 | H111 | 0.0° | 57.3° |
| O07 | P08 | O11 | O10 | 121.5° | 114.5° |
| P08 | O07 | C05 | O06 | 102.4° | 91.9° |
| P08 | O07 | C05 | C04 | 12.6° | 23.2° |
| O07 | P08 | O10 | C04 | 3.4° | 22.1° |
| P08 | O07 | C05 | H051 | 131.2° | 144.6° |
| O07 | P08 | O11 | H111 | 119.2° | 65.5° |
| C05 | O07 | P08 | O11 | 131.9° | 119.9° |
| C05 | O07 | P08 | O10 | 11.8° | 1.3° |
| O07 | C05 | O06 | C02 | 102.4° | 138.7° |
| O07 | C05 | O06 | C04 | 115.3° | 116.3° |
| O07 | C05 | O06 | H051 | 129.0° | 123.5° |
| O07 | C05 | C04 | H051 | 123.4° | 121.4° |
| O07 | C05 | C04 | O10 | 11.4° | 39.9° |
| O07 | C05 | C04 | C03 | 130.8° | 152.8° |
| O07 | C05 | C04 | H041 | 106.5° | 85.1° |
| O11 | P08 | O10 | C04 | 123.1° | 96.5° |
| P08 | O10 | C04 | C05 | 3.5° | 36.3° |
| P08 | O10 | C04 | C03 | 118.0° | 144.1° |
| P08 | O10 | C04 | H041 | 112.2° | 88.9° |
| O10 | P08 | O11 | H111 | 119.3° | 180.0° |
| O06 | C02 | C01 | C03 | 117.1° | 118.2° |
| O06 | C02 | C01 | H021 | 124.0° | 121.0° |
| O06 | C02 | C03 | H021 | 119.3° | 119.7° |
| C02 | O06 | C05 | C04 | 12.9° | 22.3° |
| O06 | C02 | C01 | O13 | 63.3° | 66.9° |
| O06 | C02 | C03 | C04 | 37.1° | 21.3° |
| O06 | C02 | C03 | O12 | 156.4° | 139.6° |
| O06 | C02 | C01 | H012 | 56.8° | 173.1° |
| O06 | C02 | C01 | H011 | 176.6° | 53.1° |
| O06 | C02 | C03 | H031 | 84.8° | 97.1° |
| C02 | O06 | C05 | H051 | 128.7° | 97.9° |
| C05 | O06 | C02 | C01 | 147.0° | 119.0° |
| C05 | O06 | C02 | C03 | 26.5° | 0.5° |
| O06 | C05 | C04 | H051 | 117.6° | 120.2° |
| O06 | C05 | C04 | O10 | 107.6° | 78.5° |
| O06 | C05 | C04 | C03 | 11.8° | 34.4° |
| C05 | O06 | C02 | H021 | 89.6° | 120.1° |
| O06 | C05 | C04 | H041 | 134.5° | 156.4° |
| C01 | C02 | C03 | H021 | 121.1° | 120.8° |
| C02 | C01 | O13 | H012 | 120.1° | 120.0° |
| C02 | C01 | O13 | H011 | 120.1° | 120.0° |
| C01 | C02 | C03 | C04 | 156.6° | 140.8° |
| C02 | C01 | O13 | P14 | 161.6° | 180.0° |
| C01 | C02 | C03 | O12 | 84.1° | 100.9° |
| C02 | C01 | H012 | H011 | 119.8° | 120.0° |
| C01 | C02 | C03 | H031 | 34.7° | 22.4° |
| C02 | C03 | C04 | C05 | 25.8° | 32.8° |
| C03 | C02 | C01 | O13 | 53.8° | 174.9° |
| C02 | C03 | C04 | O10 | 88.9° | 78.1° |
| C02 | C03 | C04 | O12 | 118.9° | 118.3° |
| C02 | C03 | C04 | H031 | 117.0° | 118.3° |
| C02 | C03 | O12 | H031 | 116.9° | 123.4° |
| C03 | C02 | C01 | H012 | 173.9° | 55.0° |
| C03 | C02 | C01 | H011 | 66.3° | 65.1° |
| C02 | C03 | C04 | H041 | 143.5° | 154.9° |
| C02 | C03 | O12 | H121 | 180.0° | 61.5° |
| C05 | C04 | O10 | C03 | 114.5° | 107.8° |
| C05 | C04 | O10 | H041 | 115.8° | 125.2° |
| C05 | C04 | C03 | H041 | 117.8° | 122.1° |
| C05 | C04 | C03 | O12 | 144.6° | 151.1° |
| C05 | C04 | C03 | H031 | 91.3° | 85.5° |
| C01 | O13 | P14 | O17 | 72.4° | 55.1° |
| C01 | O13 | P14 | O16 | 47.4° | 65.0° |
| C01 | O13 | P14 | O15 | 167.5° | 175.0° |
| O13 | C01 | H012 | H011 | 119.8° | 120.0° |
| O13 | C01 | C02 | H021 | 172.6° | 54.1° |
| O17 | P14 | O13 | O16 | 119.8° | 120.0° |
| O17 | P14 | O13 | O15 | 120.1° | 120.0° |
| O17 | P14 | O16 | O15 | 119.5° | 120.0° |
| O17 | P14 | O15 | H1 | 0.0° | 60.1° |
| O17 | P14 | O16 | H2 | 0.0° | 180.0° |
| O10 | C04 | C03 | H041 | 127.5° | 126.9° |
| O10 | C04 | C03 | O12 | 29.9° | 40.2° |
| O10 | C04 | C03 | H031 | 154.0° | 163.5° |
| O10 | C04 | C05 | H051 | 134.8° | 161.3° |
| C04 | C03 | O12 | H031 | 126.6° | 123.4° |
| C04 | C03 | C02 | H021 | 82.2° | 98.3° |
| C03 | C04 | C05 | H051 | 105.8° | 85.8° |
| C04 | C03 | O12 | H121 | 63.5° | 174.7° |
| O13 | P14 | O16 | O15 | 120.5° | 120.0° |
| O13 | P14 | O15 | H1 | 120.3° | 180.0° |
| P14 | O13 | C01 | H012 | 41.5° | 60.0° |
| P14 | O13 | C01 | H011 | 78.4° | 60.0° |
| O13 | P14 | O16 | H2 | 120.1° | 60.0° |
| O12 | C03 | C02 | H021 | 37.1° | 19.9° |
| O12 | C03 | C04 | H041 | 97.6° | 86.8° |
| O16 | P14 | O15 | H1 | 119.4° | 60.0° |
| O15 | P14 | O16 | H2 | 119.5° | 59.9° |
| H012 | C01 | C02 | H021 | 67.3° | 65.9° |
| H011 | C01 | C02 | H021 | 52.5° | 174.1° |
| H021 | C02 | C03 | H031 | 155.9° | 143.3° |
| H031 | C03 | C04 | H041 | 26.5° | 36.6° |
| H031 | C03 | O12 | H121 | 63.1° | 61.9° |
| H041 | C04 | C05 | H051 | 16.9° | 36.3° |
