10G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O13 | P12 | doub | 1.48Å | 1.53Å | |
O10 | P8 | doub | 1.48Å | 1.48Å | |
O9 | P8 | sing | 1.61Å | 1.49Å | |
P12 | O11 | sing | 1.61Å | 1.57Å | |
P12 | O14 | sing | 1.61Å | 1.55Å | |
P12 | O15 | sing | 1.61Å | 1.46Å | |
O11 | P8 | sing | 1.61Å | 1.64Å | |
P8 | O7 | sing | 1.61Å | 1.65Å | |
O7 | C6 | sing | 1.43Å | 1.47Å | |
C4 | C3 | sing | 1.51Å | 1.48Å | |
C1 | C3 | sing | 1.51Å | 1.53Å | |
C1 | S2 | sing | 1.81Å | 1.78Å | |
C3 | C5 | doub | 1.31Å | 1.35Å | |
C5 | C6 | sing | 1.51Å | 1.44Å | |
O14 | H1 | sing | 0.97Å | 0.95Å | |
O15 | H2 | sing | 0.97Å | 0.95Å | |
O9 | H3 | sing | 0.97Å | 0.95Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H6 | sing | 1.08Å | 1.08Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
C1 | H10 | sing | 1.09Å | 1.10Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
S2 | H12 | sing | 1.34Å | 1.30Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O13 | P12 | O11 | 106.5° | 109.5° |
O13 | P12 | O14 | 111.5° | 109.5° |
O13 | P12 | O15 | 112.2° | 109.5° |
O10 | P8 | O9 | 118.7° | 109.5° |
O10 | P8 | O11 | 111.6° | 109.4° |
O10 | P8 | O7 | 101.9° | 109.5° |
O9 | P8 | O11 | 106.6° | 109.4° |
O9 | P8 | O7 | 109.7° | 109.5° |
P8 | O9 | H3 | 109.5° | 114.0° |
O11 | P12 | O14 | 102.2° | 109.5° |
O11 | P12 | O15 | 114.2° | 109.4° |
P12 | O11 | P8 | 132.8° | 134.0° |
O14 | P12 | O15 | 109.8° | 109.5° |
P12 | O14 | H1 | 109.5° | 114.0° |
P12 | O15 | H2 | 109.5° | 114.0° |
O11 | P8 | O7 | 107.9° | 109.5° |
P8 | O7 | C6 | 123.7° | 123.0° |
O7 | C6 | C5 | 101.9° | 109.5° |
O7 | C6 | H4 | 111.3° | 109.5° |
O7 | C6 | H5 | 111.3° | 109.5° |
C4 | C3 | C1 | 106.3° | 120.0° |
C4 | C3 | C5 | 136.4° | 120.0° |
C3 | C4 | H7 | 109.5° | 109.5° |
C3 | C4 | H8 | 109.5° | 109.5° |
C3 | C4 | H9 | 109.5° | 109.4° |
C3 | C1 | S2 | 102.4° | 109.4° |
C1 | C3 | C5 | 117.0° | 120.0° |
C3 | C1 | H10 | 111.2° | 109.5° |
C3 | C1 | H11 | 111.2° | 109.5° |
S2 | C1 | H10 | 111.2° | 109.5° |
S2 | C1 | H11 | 111.2° | 109.4° |
C1 | S2 | H12 | 102.0° | 103.0° |
C3 | C5 | C6 | 132.6° | 120.0° |
C3 | C5 | H6 | 113.7° | 120.0° |
C5 | C6 | H4 | 111.3° | 109.4° |
C5 | C6 | H5 | 111.3° | 109.5° |
C6 | C5 | H6 | 113.7° | 120.0° |
H4 | C6 | H5 | 109.5° | 109.5° |
H7 | C4 | H8 | 109.5° | 109.5° |
H7 | C4 | H9 | 109.4° | 109.4° |
H8 | C4 | H9 | 109.5° | 109.4° |
H10 | C1 | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O13 | P12 | O11 | O14 | 117.0° | 120.0° |
O13 | P12 | O11 | O15 | 124.4° | 120.0° |
O13 | P12 | O14 | O15 | 124.9° | 120.0° |
O13 | P12 | O11 | P8 | 92.9° | 40.0° |
O13 | P12 | O14 | H1 | 0.0° | 60.0° |
O13 | P12 | O15 | H2 | 0.0° | 180.0° |
O10 | P8 | O9 | O11 | 127.0° | 120.0° |
O10 | P8 | O9 | O7 | 116.4° | 120.0° |
O10 | P8 | O11 | P12 | 34.7° | 45.0° |
O10 | P8 | O11 | O7 | 111.1° | 120.0° |
O10 | P8 | O7 | C6 | 164.8° | 55.1° |
O10 | P8 | O9 | H3 | 0.0° | 180.0° |
O9 | P8 | O11 | P12 | 165.8° | 75.0° |
O9 | P8 | O11 | O7 | 117.8° | 120.0° |
O9 | P8 | O7 | C6 | 38.3° | 65.0° |
O11 | P12 | O14 | O15 | 121.6° | 119.9° |
P12 | O11 | P8 | O7 | 76.5° | 164.9° |
O11 | P12 | O14 | H1 | 113.4° | 180.0° |
O11 | P12 | O15 | H2 | 121.4° | 60.0° |
O14 | P12 | O11 | P8 | 150.0° | 160.0° |
O14 | P12 | O15 | H2 | 124.5° | 60.0° |
O15 | P12 | O11 | P8 | 31.5° | 80.0° |
O15 | P12 | O14 | H1 | 124.9° | 60.1° |
O11 | P8 | O7 | C6 | 77.5° | 175.0° |
O11 | P8 | O9 | H3 | 127.0° | 60.0° |
P8 | O7 | C6 | C5 | 70.3° | 179.9° |
O7 | P8 | O9 | H3 | 116.4° | 60.0° |
P8 | O7 | C6 | H4 | 48.4° | 60.0° |
P8 | O7 | C6 | H5 | 170.9° | 60.1° |
O7 | C6 | C5 | C3 | 123.5° | 135.4° |
O7 | C6 | C5 | H4 | 118.8° | 120.0° |
O7 | C6 | C5 | H5 | 118.8° | 120.0° |
O7 | C6 | H4 | H5 | 123.5° | 120.0° |
O7 | C6 | C5 | H6 | 56.5° | 44.6° |
C4 | C3 | C1 | C5 | 174.7° | 179.9° |
C4 | C3 | C1 | S2 | 67.8° | 75.1° |
C4 | C3 | C5 | C6 | 12.8° | 5.6° |
C4 | C3 | C5 | H6 | 167.2° | 174.4° |
C3 | C4 | H7 | H8 | 120.0° | 120.1° |
C3 | C4 | H7 | H9 | 120.0° | 120.0° |
C3 | C4 | H8 | H9 | 120.0° | 120.0° |
C4 | C3 | C1 | H10 | 173.4° | 45.0° |
C4 | C3 | C1 | H11 | 51.1° | 165.0° |
C3 | C1 | S2 | H10 | 118.9° | 120.1° |
C3 | C1 | S2 | H11 | 118.9° | 119.9° |
C1 | C3 | C5 | C6 | 174.6° | 174.3° |
C1 | C3 | C5 | H6 | 5.4° | 5.7° |
C1 | C3 | C4 | H7 | 180.0° | 95.0° |
C1 | C3 | C4 | H8 | 60.0° | 25.1° |
C1 | C3 | C4 | H9 | 60.0° | 145.1° |
C3 | C1 | H10 | H11 | 123.3° | 120.0° |
C3 | C1 | S2 | H12 | 180.0° | 180.0° |
S2 | C1 | C3 | C5 | 106.9° | 105.0° |
S2 | C1 | H10 | H11 | 123.3° | 120.0° |
C3 | C5 | C6 | H6 | 180.0° | 180.0° |
C3 | C5 | C6 | H4 | 4.7° | 104.6° |
C3 | C5 | C6 | H5 | 117.7° | 15.4° |
C5 | C3 | C4 | H7 | 6.8° | 84.9° |
C5 | C3 | C4 | H8 | 113.2° | 155.0° |
C5 | C3 | C4 | H9 | 126.8° | 35.0° |
C5 | C3 | C1 | H10 | 11.9° | 135.0° |
C5 | C3 | C1 | H11 | 134.2° | 14.9° |
C5 | C6 | H4 | H5 | 123.5° | 120.0° |
H4 | C6 | C5 | H6 | 175.3° | 75.4° |
H5 | C6 | C5 | H6 | 62.3° | 164.6° |
H7 | C4 | H8 | H9 | 120.0° | 120.0° |
H10 | C1 | S2 | H12 | 61.1° | 59.9° |
H11 | C1 | S2 | H12 | 61.1° | 60.1° |