0CJ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O20 | P17 | doub | 1.48Å | 1.52Å | |
O14 | P13 | doub | 1.48Å | 1.46Å | |
O15 | P13 | sing | 1.61Å | 1.51Å | |
P17 | O16 | sing | 1.61Å | 1.57Å | |
P17 | O19 | sing | 1.61Å | 1.49Å | |
P17 | O18 | sing | 1.61Å | 1.51Å | |
O16 | P13 | sing | 1.61Å | 1.61Å | |
P13 | O29 | sing | 1.61Å | 1.55Å | |
O29 | C28 | sing | 1.43Å | 1.45Å | |
O25 | C13 | doub | 1.21Å | 1.26Å | |
C27 | C28 | sing | 1.53Å | 1.50Å | |
C27 | C30 | sing | 1.53Å | 1.51Å | |
C13 | C30 | sing | 1.51Å | 1.47Å | |
C13 | C22 | sing | 1.51Å | 1.47Å | |
C22 | H1 | sing | 1.09Å | 1.10Å | |
C22 | H2 | sing | 1.09Å | 1.10Å | |
C22 | H3 | sing | 1.09Å | 1.10Å | |
C30 | H4 | sing | 1.09Å | 1.10Å | |
C30 | H5 | sing | 1.09Å | 1.10Å | |
C27 | H6 | sing | 1.09Å | 1.10Å | |
C27 | H7 | sing | 1.09Å | 1.10Å | |
C28 | H8 | sing | 1.09Å | 1.10Å | |
C28 | H9 | sing | 1.09Å | 1.10Å | |
O15 | H10 | sing | 0.97Å | 0.95Å | |
O18 | H11 | sing | 0.97Å | 0.95Å | |
O19 | H12 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O20 | P17 | O16 | 107.9° | 109.5° |
O20 | P17 | O19 | 109.6° | 109.4° |
O20 | P17 | O18 | 112.2° | 109.4° |
O14 | P13 | O15 | 117.0° | 109.5° |
O14 | P13 | O16 | 106.0° | 109.5° |
O14 | P13 | O29 | 106.3° | 109.4° |
O15 | P13 | O16 | 115.8° | 109.5° |
O15 | P13 | O29 | 103.7° | 109.5° |
P13 | O15 | H10 | 109.5° | 114.0° |
O16 | P17 | O19 | 105.2° | 109.5° |
O16 | P17 | O18 | 113.1° | 109.5° |
P17 | O16 | P13 | 128.0° | 134.0° |
O19 | P17 | O18 | 108.6° | 109.5° |
P17 | O19 | H12 | 109.5° | 114.0° |
P17 | O18 | H11 | 109.5° | 114.0° |
O16 | P13 | O29 | 107.3° | 109.5° |
P13 | O29 | C28 | 124.6° | 123.0° |
O29 | C28 | C27 | 114.5° | 109.5° |
O29 | C28 | H8 | 108.2° | 109.4° |
O29 | C28 | H9 | 108.2° | 109.4° |
O25 | C13 | C30 | 121.9° | 120.0° |
O25 | C13 | C22 | 116.0° | 120.0° |
C28 | C27 | C30 | 115.4° | 109.5° |
C28 | C27 | H6 | 108.0° | 109.4° |
C28 | C27 | H7 | 108.0° | 109.4° |
C27 | C28 | H8 | 108.2° | 109.5° |
C27 | C28 | H9 | 108.2° | 109.5° |
C27 | C30 | C13 | 114.5° | 109.5° |
C27 | C30 | H4 | 108.2° | 109.5° |
C27 | C30 | H5 | 108.2° | 109.4° |
C30 | C27 | H6 | 107.9° | 109.5° |
C30 | C27 | H7 | 108.0° | 109.5° |
C30 | C13 | C22 | 122.1° | 120.0° |
C13 | C30 | H4 | 108.2° | 109.5° |
C13 | C30 | H5 | 108.2° | 109.5° |
C13 | C22 | H1 | 109.5° | 109.5° |
C13 | C22 | H2 | 109.5° | 109.5° |
C13 | C22 | H3 | 109.5° | 109.5° |
H1 | C22 | H2 | 109.5° | 109.5° |
H1 | C22 | H3 | 109.5° | 109.4° |
H2 | C22 | H3 | 109.5° | 109.5° |
H4 | C30 | H5 | 109.4° | 109.4° |
H6 | C27 | H7 | 109.5° | 109.5° |
H8 | C28 | H9 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O20 | P17 | O16 | O19 | 117.0° | 120.0° |
O20 | P17 | O16 | O18 | 124.7° | 120.0° |
O20 | P17 | O19 | O18 | 122.9° | 119.9° |
O20 | P17 | O16 | P13 | 90.7° | 45.0° |
O20 | P17 | O18 | H11 | 0.0° | 60.0° |
O20 | P17 | O19 | H12 | 0.0° | 179.9° |
O14 | P13 | O15 | O16 | 126.1° | 120.0° |
O14 | P13 | O15 | O29 | 116.7° | 120.0° |
O14 | P13 | O16 | P17 | 153.5° | 40.0° |
O14 | P13 | O16 | O29 | 113.3° | 120.0° |
O14 | P13 | O29 | C28 | 33.1° | 55.0° |
O14 | P13 | O15 | H10 | 0.0° | 180.0° |
O15 | P13 | O16 | P17 | 22.0° | 80.0° |
O15 | P13 | O16 | O29 | 115.2° | 120.0° |
O15 | P13 | O29 | C28 | 157.0° | 65.0° |
O16 | P17 | O19 | O18 | 121.3° | 120.0° |
P17 | O16 | P13 | O29 | 93.2° | 160.0° |
O16 | P17 | O18 | H11 | 122.3° | 180.0° |
O16 | P17 | O19 | H12 | 115.8° | 60.0° |
O19 | P17 | O16 | P13 | 152.3° | 75.0° |
O19 | P17 | O18 | H11 | 121.4° | 59.9° |
O18 | P17 | O16 | P13 | 33.9° | 165.0° |
O18 | P17 | O19 | H12 | 122.9° | 60.0° |
O16 | P13 | O29 | C28 | 80.0° | 175.0° |
O16 | P13 | O15 | H10 | 126.1° | 60.0° |
P13 | O29 | C28 | C27 | 56.5° | 180.0° |
P13 | O29 | C28 | H8 | 64.2° | 60.0° |
P13 | O29 | C28 | H9 | 177.2° | 59.9° |
O29 | P13 | O15 | H10 | 116.7° | 60.0° |
O29 | C28 | C27 | H8 | 120.7° | 120.0° |
O29 | C28 | C27 | H9 | 120.8° | 120.0° |
O29 | C28 | C27 | C30 | 64.9° | 180.0° |
O29 | C28 | C27 | H6 | 55.9° | 60.0° |
O29 | C28 | C27 | H7 | 174.2° | 60.0° |
O29 | C28 | H8 | H9 | 117.7° | 119.9° |
O25 | C13 | C30 | C27 | 112.2° | 0.1° |
O25 | C13 | C30 | C22 | 177.4° | 179.8° |
O25 | C13 | C22 | H1 | 0.0° | 90.0° |
O25 | C13 | C22 | H2 | 120.0° | 150.0° |
O25 | C13 | C22 | H3 | 120.0° | 29.9° |
O25 | C13 | C30 | H4 | 127.1° | 120.0° |
O25 | C13 | C30 | H5 | 8.6° | 120.0° |
C28 | C27 | C30 | H6 | 120.9° | 120.0° |
C28 | C27 | C30 | H7 | 120.9° | 120.0° |
C28 | C27 | C30 | C13 | 171.7° | 180.0° |
C28 | C27 | C30 | H4 | 67.5° | 59.9° |
C28 | C27 | C30 | H5 | 51.0° | 60.0° |
C28 | C27 | H6 | H7 | 117.3° | 120.0° |
C27 | C28 | H8 | H9 | 117.7° | 120.0° |
C27 | C30 | C13 | H4 | 120.7° | 120.1° |
C27 | C30 | C13 | H5 | 120.7° | 119.9° |
C27 | C30 | C13 | C22 | 65.2° | 179.7° |
C27 | C30 | H4 | H5 | 117.7° | 119.9° |
C30 | C27 | H6 | H7 | 117.3° | 120.0° |
C30 | C27 | C28 | H8 | 174.3° | 60.0° |
C30 | C27 | C28 | H9 | 55.8° | 60.0° |
C30 | C13 | C22 | H1 | 177.5° | 89.8° |
C30 | C13 | C22 | H2 | 57.5° | 30.2° |
C30 | C13 | C22 | H3 | 62.5° | 150.3° |
C13 | C30 | H4 | H5 | 117.7° | 120.0° |
C13 | C30 | C27 | H6 | 50.9° | 60.0° |
C13 | C30 | C27 | H7 | 67.4° | 60.0° |
C13 | C22 | H1 | H2 | 120.0° | 120.0° |
C13 | C22 | H1 | H3 | 120.0° | 120.0° |
C13 | C22 | H2 | H3 | 120.0° | 120.1° |
C22 | C13 | C30 | H4 | 55.5° | 60.2° |
C22 | C13 | C30 | H5 | 174.0° | 59.8° |
H1 | C22 | H2 | H3 | 120.0° | 119.9° |
H4 | C30 | C27 | H6 | 171.6° | 179.9° |
H4 | C30 | C27 | H7 | 53.3° | 60.0° |
H5 | C30 | C27 | H6 | 69.9° | 60.0° |
H5 | C30 | C27 | H7 | 171.8° | 180.0° |
H6 | C27 | C28 | H8 | 64.8° | 180.0° |
H6 | C27 | C28 | H9 | 176.7° | 60.0° |
H7 | C27 | C28 | H8 | 53.5° | 60.0° |
H7 | C27 | C28 | H9 | 65.0° | 180.0° |