83B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | P14 | doub | 1.48Å | 1.46Å | |
| O19 | P14 | sing | 1.61Å | 1.65Å | |
| O16 | P12 | doub | 1.48Å | 1.51Å | |
| P14 | O13 | sing | 1.61Å | 1.64Å | |
| P14 | O15 | sing | 1.61Å | 1.46Å | |
| C11 | C6 | sing | 1.53Å | 1.53Å | |
| O13 | P12 | sing | 1.61Å | 1.65Å | |
| P12 | O18 | sing | 1.61Å | 1.51Å | |
| P12 | O9 | sing | 1.61Å | 1.65Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | doub | 1.31Å | 1.32Å | |
| O9 | C8 | sing | 1.43Å | 1.40Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C2 | C10 | sing | 1.51Å | 1.53Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C1 | H012 | sing | 1.09Å | 1.10Å | |
| C1 | H011 | sing | 1.09Å | 1.10Å | |
| C1 | H013 | sing | 1.09Å | 1.10Å | |
| C3 | H031 | sing | 1.08Å | 1.08Å | |
| C4 | H041 | sing | 1.09Å | 1.10Å | |
| C4 | H042 | sing | 1.09Å | 1.10Å | |
| C5 | H052 | sing | 1.09Å | 1.10Å | |
| C5 | H051 | sing | 1.09Å | 1.10Å | |
| C6 | H061 | sing | 1.09Å | 1.10Å | |
| C7 | H071 | sing | 1.09Å | 1.10Å | |
| C7 | H072 | sing | 1.09Å | 1.10Å | |
| C8 | H081 | sing | 1.09Å | 1.10Å | |
| C8 | H082 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| O15 | H1 | sing | 0.97Å | 0.95Å | |
| O18 | H2 | sing | 0.97Å | 0.95Å | |
| O19 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | P14 | O19 | 111.8° | 109.5° |
| O17 | P14 | O13 | 110.0° | 109.5° |
| O17 | P14 | O15 | 101.5° | 109.5° |
| O19 | P14 | O13 | 110.8° | 109.5° |
| O19 | P14 | O15 | 112.2° | 109.5° |
| P14 | O19 | H3 | 109.5° | 114.0° |
| O16 | P12 | O13 | 108.5° | 109.5° |
| O16 | P12 | O18 | 109.6° | 109.5° |
| O16 | P12 | O9 | 111.7° | 109.5° |
| O13 | P14 | O15 | 110.3° | 109.4° |
| P14 | O13 | P12 | 122.2° | 134.0° |
| P14 | O15 | H1 | 109.5° | 114.0° |
| C11 | C6 | C5 | 111.5° | 109.5° |
| C11 | C6 | C7 | 110.1° | 109.4° |
| C11 | C6 | H061 | 110.0° | 109.5° |
| C6 | C11 | H111 | 109.5° | 109.5° |
| C6 | C11 | H112 | 109.4° | 109.5° |
| C6 | C11 | H113 | 109.4° | 109.4° |
| O13 | P12 | O18 | 110.3° | 109.5° |
| O13 | P12 | O9 | 109.5° | 109.5° |
| O18 | P12 | O9 | 107.3° | 109.5° |
| P12 | O18 | H2 | 109.5° | 114.0° |
| P12 | O9 | C8 | 116.8° | 123.0° |
| C3 | C4 | C5 | 113.3° | 109.5° |
| C4 | C3 | C2 | 121.4° | 120.0° |
| C4 | C3 | H031 | 119.3° | 120.0° |
| C3 | C4 | H041 | 108.5° | 109.5° |
| C3 | C4 | H042 | 108.5° | 109.5° |
| C4 | C5 | C6 | 107.3° | 109.5° |
| C5 | C4 | H041 | 108.5° | 109.5° |
| C5 | C4 | H042 | 108.5° | 109.4° |
| C4 | C5 | H052 | 110.0° | 109.5° |
| C4 | C5 | H051 | 110.0° | 109.4° |
| C5 | C6 | C7 | 105.3° | 109.4° |
| C6 | C5 | H052 | 110.0° | 109.5° |
| C6 | C5 | H051 | 110.0° | 109.4° |
| C5 | C6 | H061 | 110.0° | 109.5° |
| C6 | C7 | C8 | 112.8° | 109.5° |
| C7 | C6 | H061 | 110.0° | 109.5° |
| C6 | C7 | H071 | 108.6° | 109.5° |
| C6 | C7 | H072 | 108.7° | 109.6° |
| C3 | C2 | C10 | 121.5° | 120.0° |
| C3 | C2 | C1 | 119.9° | 120.0° |
| C2 | C3 | H031 | 119.3° | 120.0° |
| O9 | C8 | C7 | 107.7° | 109.5° |
| O9 | C8 | H081 | 109.9° | 109.5° |
| O9 | C8 | H082 | 109.9° | 109.5° |
| C8 | C7 | H071 | 108.7° | 109.4° |
| C8 | C7 | H072 | 108.6° | 109.5° |
| C7 | C8 | H081 | 109.9° | 109.4° |
| C7 | C8 | H082 | 109.9° | 109.5° |
| C10 | C2 | C1 | 118.6° | 120.0° |
| C2 | C10 | H101 | 109.5° | 109.4° |
| C2 | C10 | H103 | 109.5° | 109.5° |
| C2 | C10 | H102 | 109.5° | 109.5° |
| C2 | C1 | H012 | 109.5° | 109.5° |
| C2 | C1 | H011 | 109.5° | 109.5° |
| C2 | C1 | H013 | 109.5° | 109.4° |
| H012 | C1 | H011 | 109.4° | 109.5° |
| H012 | C1 | H013 | 109.5° | 109.5° |
| H011 | C1 | H013 | 109.5° | 109.4° |
| H041 | C4 | H042 | 109.5° | 109.5° |
| H052 | C5 | H051 | 109.5° | 109.5° |
| H071 | C7 | H072 | 109.5° | 109.4° |
| H081 | C8 | H082 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.4° | 109.4° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H103 | C10 | H102 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | P14 | O19 | O13 | 123.1° | 120.0° |
| O17 | P14 | O19 | O15 | 113.3° | 120.0° |
| O17 | P14 | O13 | O15 | 111.1° | 120.0° |
| O17 | P14 | O13 | P12 | 67.6° | 45.0° |
| O17 | P14 | O15 | H1 | 0.0° | 180.0° |
| O17 | P14 | O19 | H3 | 0.0° | 60.0° |
| O19 | P14 | O13 | O15 | 124.8° | 120.0° |
| O19 | P14 | O13 | P12 | 168.3° | 165.0° |
| O19 | P14 | O15 | H1 | 119.5° | 60.0° |
| O16 | P12 | O13 | P14 | 113.2° | 40.0° |
| O16 | P12 | O13 | O18 | 120.0° | 120.0° |
| O16 | P12 | O13 | O9 | 122.1° | 120.0° |
| O16 | P12 | O18 | O9 | 121.4° | 120.0° |
| O16 | P12 | O9 | C8 | 119.2° | 55.0° |
| O16 | P12 | O18 | H2 | 0.0° | 180.0° |
| P14 | O13 | P12 | O18 | 6.8° | 80.0° |
| P14 | O13 | P12 | O9 | 124.7° | 160.0° |
| O13 | P14 | O15 | H1 | 116.5° | 60.0° |
| O13 | P14 | O19 | H3 | 123.1° | 180.0° |
| O15 | P14 | O13 | P12 | 43.5° | 75.0° |
| O15 | P14 | O19 | H3 | 113.3° | 60.0° |
| C11 | C6 | C5 | C4 | 44.3° | 65.0° |
| C11 | C6 | C5 | C7 | 119.3° | 120.0° |
| C11 | C6 | C5 | H061 | 122.3° | 120.0° |
| C11 | C6 | C7 | H061 | 121.3° | 120.0° |
| C11 | C6 | C7 | C8 | 77.6° | 65.1° |
| C11 | C6 | C5 | H052 | 75.4° | 175.0° |
| C11 | C6 | C5 | H051 | 163.9° | 54.9° |
| C11 | C6 | C7 | H071 | 161.8° | 175.0° |
| C11 | C6 | C7 | H072 | 42.8° | 55.0° |
| C6 | C11 | H111 | H112 | 120.0° | 120.0° |
| C6 | C11 | H111 | H113 | 120.0° | 119.9° |
| C6 | C11 | H112 | H113 | 120.0° | 119.9° |
| O13 | P12 | O18 | O9 | 119.2° | 120.0° |
| O13 | P12 | O9 | C8 | 1.0° | 175.0° |
| O13 | P12 | O18 | H2 | 119.3° | 59.9° |
| O18 | P12 | O9 | C8 | 120.8° | 65.0° |
| P12 | O9 | C8 | C7 | 119.4° | 180.0° |
| P12 | O9 | C8 | H081 | 120.8° | 60.1° |
| P12 | O9 | C8 | H082 | 0.3° | 60.0° |
| O9 | P12 | O18 | H2 | 121.4° | 60.0° |
| C3 | C4 | C5 | H041 | 120.6° | 120.0° |
| C3 | C4 | C5 | H042 | 120.6° | 120.0° |
| C3 | C4 | C5 | C6 | 149.1° | 180.0° |
| C4 | C3 | C2 | H031 | 180.0° | 179.9° |
| C4 | C3 | C2 | C10 | 1.2° | 174.5° |
| C4 | C3 | C2 | C1 | 179.4° | 5.5° |
| C3 | C4 | H041 | H042 | 118.3° | 120.1° |
| C3 | C4 | C5 | H052 | 91.2° | 60.0° |
| C3 | C4 | C5 | H051 | 29.5° | 60.0° |
| C4 | C5 | C6 | H052 | 119.7° | 120.0° |
| C4 | C5 | C6 | H051 | 119.6° | 119.9° |
| C4 | C5 | C6 | C7 | 75.1° | 175.1° |
| C5 | C4 | C3 | C2 | 103.2° | 125.4° |
| C5 | C4 | C3 | H031 | 76.8° | 54.6° |
| C5 | C4 | H041 | H042 | 118.3° | 119.9° |
| C4 | C5 | H052 | H051 | 121.0° | 120.0° |
| C4 | C5 | C6 | H061 | 166.5° | 55.1° |
| C5 | C6 | C7 | H061 | 118.4° | 120.0° |
| C5 | C6 | C7 | C8 | 162.0° | 174.9° |
| C6 | C5 | C4 | H041 | 28.5° | 59.9° |
| C6 | C5 | C4 | H042 | 90.3° | 60.0° |
| C6 | C5 | H052 | H051 | 121.0° | 120.0° |
| C5 | C6 | C7 | H071 | 41.5° | 55.0° |
| C5 | C6 | C7 | H072 | 77.5° | 65.0° |
| C5 | C6 | C11 | H111 | 180.0° | 180.0° |
| C5 | C6 | C11 | H112 | 60.0° | 60.0° |
| C5 | C6 | C11 | H113 | 60.0° | 60.0° |
| C6 | C7 | C8 | O9 | 135.5° | 180.0° |
| C6 | C7 | C8 | H071 | 120.5° | 120.0° |
| C6 | C7 | C8 | H072 | 120.5° | 120.1° |
| C7 | C6 | C5 | H052 | 165.3° | 55.0° |
| C7 | C6 | C5 | H051 | 44.6° | 65.0° |
| C6 | C7 | H071 | H072 | 118.5° | 120.1° |
| C6 | C7 | C8 | H081 | 104.7° | 60.0° |
| C6 | C7 | C8 | H082 | 15.8° | 60.0° |
| C7 | C6 | C11 | H111 | 63.5° | 60.1° |
| C7 | C6 | C11 | H112 | 56.4° | 60.0° |
| C7 | C6 | C11 | H113 | 176.5° | 179.9° |
| C3 | C2 | C10 | C1 | 179.4° | 180.0° |
| C3 | C2 | C1 | H012 | 180.0° | 174.9° |
| C3 | C2 | C1 | H011 | 60.0° | 65.0° |
| C3 | C2 | C1 | H013 | 60.0° | 54.9° |
| C2 | C3 | C4 | H041 | 17.3° | 114.6° |
| C2 | C3 | C4 | H042 | 136.2° | 5.4° |
| C3 | C2 | C10 | H101 | 180.0° | 90.0° |
| C3 | C2 | C10 | H103 | 60.0° | 30.0° |
| C3 | C2 | C10 | H102 | 60.0° | 150.0° |
| O9 | C8 | C7 | H081 | 119.7° | 120.0° |
| O9 | C8 | C7 | H082 | 119.7° | 120.0° |
| O9 | C8 | C7 | H071 | 104.0° | 60.0° |
| O9 | C8 | C7 | H072 | 15.0° | 59.9° |
| O9 | C8 | H081 | H082 | 120.8° | 120.0° |
| C8 | C7 | C6 | H061 | 43.6° | 55.0° |
| C8 | C7 | H071 | H072 | 118.5° | 120.0° |
| C7 | C8 | H081 | H082 | 120.8° | 120.0° |
| C10 | C2 | C1 | H012 | 0.6° | 5.1° |
| C10 | C2 | C1 | H011 | 119.4° | 115.0° |
| C10 | C2 | C1 | H013 | 120.6° | 125.1° |
| C10 | C2 | C3 | H031 | 178.8° | 5.5° |
| C2 | C10 | H101 | H103 | 120.0° | 120.0° |
| C2 | C10 | H101 | H102 | 120.0° | 120.0° |
| C2 | C10 | H103 | H102 | 120.0° | 120.0° |
| C2 | C1 | H012 | H011 | 120.0° | 120.1° |
| C2 | C1 | H012 | H013 | 120.0° | 120.0° |
| C2 | C1 | H011 | H013 | 120.0° | 119.9° |
| C1 | C2 | C3 | H031 | 0.6° | 174.6° |
| C1 | C2 | C10 | H101 | 0.6° | 90.1° |
| C1 | C2 | C10 | H103 | 120.6° | 150.0° |
| C1 | C2 | C10 | H102 | 119.4° | 29.9° |
| H012 | C1 | H011 | H013 | 120.0° | 120.0° |
| H031 | C3 | C4 | H041 | 162.6° | 65.4° |
| H031 | C3 | C4 | H042 | 43.8° | 174.5° |
| H041 | C4 | C5 | H052 | 148.2° | 180.0° |
| H041 | C4 | C5 | H051 | 91.1° | 60.0° |
| H042 | C4 | C5 | H052 | 29.3° | 60.1° |
| H042 | C4 | C5 | H051 | 150.0° | 179.9° |
| H052 | C5 | C6 | H061 | 46.9° | 65.0° |
| H051 | C5 | C6 | H061 | 73.8° | 175.0° |
| H061 | C6 | C7 | H071 | 76.9° | 65.0° |
| H061 | C6 | C7 | H072 | 164.1° | 175.0° |
| H061 | C6 | C11 | H111 | 57.7° | 60.0° |
| H061 | C6 | C11 | H112 | 177.7° | 180.0° |
| H061 | C6 | C11 | H113 | 62.3° | 60.0° |
| H071 | C7 | C8 | H081 | 15.7° | 180.0° |
| H071 | C7 | C8 | H082 | 136.3° | 60.0° |
| H072 | C7 | C8 | H081 | 134.8° | 60.1° |
| H072 | C7 | C8 | H082 | 104.7° | 179.9° |
| H101 | C10 | H103 | H102 | 119.9° | 120.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.1° |
