10E
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O13 | P12 | doub | 1.48Å | 1.49Å | |
O9 | P8 | doub | 1.48Å | 1.48Å | |
O10 | P8 | sing | 1.61Å | 1.43Å | |
P12 | O11 | sing | 1.61Å | 1.60Å | |
P12 | O14 | sing | 1.61Å | 1.55Å | |
P12 | O15 | sing | 1.61Å | 1.50Å | |
O11 | P8 | sing | 1.61Å | 1.54Å | |
P8 | O7 | sing | 1.61Å | 1.57Å | |
O7 | C6 | sing | 1.43Å | 1.49Å | |
C4 | C3 | sing | 1.51Å | 1.44Å | |
C3 | C1 | sing | 1.51Å | 1.49Å | |
C3 | C5 | doub | 1.31Å | 1.32Å | |
C1 | N2 | sing | 1.47Å | 1.46Å | |
C6 | C5 | sing | 1.51Å | 1.46Å | |
O14 | H1 | sing | 0.97Å | 0.95Å | |
O15 | H2 | sing | 0.97Å | 0.95Å | |
O10 | 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 | |
N2 | H12 | sing | 1.01Å | 1.00Å | |
N2 | H13 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O13 | P12 | O11 | 103.2° | 109.4° |
O13 | P12 | O14 | 110.9° | 109.5° |
O13 | P12 | O15 | 118.8° | 109.5° |
O9 | P8 | O10 | 120.2° | 109.5° |
O9 | P8 | O11 | 107.1° | 109.4° |
O9 | P8 | O7 | 111.0° | 109.5° |
O10 | P8 | O11 | 111.6° | 109.5° |
O10 | P8 | O7 | 101.1° | 109.5° |
P8 | O10 | H3 | 109.5° | 114.0° |
O11 | P12 | O14 | 99.1° | 109.5° |
O11 | P12 | O15 | 104.9° | 109.4° |
P12 | O11 | P8 | 140.5° | 134.0° |
O14 | P12 | O15 | 116.7° | 109.5° |
P12 | O14 | H1 | 109.5° | 114.0° |
P12 | O15 | H2 | 109.5° | 114.0° |
O11 | P8 | O7 | 104.9° | 109.5° |
P8 | O7 | C6 | 124.4° | 123.0° |
O7 | C6 | C5 | 107.5° | 109.4° |
O7 | C6 | H4 | 110.0° | 109.5° |
O7 | C6 | H5 | 110.0° | 109.5° |
C4 | C3 | C1 | 112.4° | 120.0° |
C4 | C3 | C5 | 125.5° | 120.0° |
C3 | C4 | H7 | 109.5° | 109.5° |
C3 | C4 | H8 | 109.5° | 109.5° |
C3 | C4 | H9 | 109.5° | 109.5° |
C1 | C3 | C5 | 120.5° | 120.0° |
C3 | C1 | N2 | 105.3° | 109.5° |
C3 | C1 | H10 | 110.5° | 109.5° |
C3 | C1 | H11 | 110.5° | 109.5° |
C3 | C5 | C6 | 129.0° | 120.0° |
C3 | C5 | H6 | 115.5° | 120.0° |
N2 | C1 | H10 | 110.5° | 109.4° |
N2 | C1 | H11 | 110.5° | 109.5° |
C1 | N2 | H12 | 109.5° | 111.1° |
C1 | N2 | H13 | 109.4° | 111.0° |
C5 | C6 | H4 | 110.0° | 109.5° |
C5 | C6 | H5 | 110.0° | 109.5° |
C6 | C5 | H6 | 115.5° | 120.0° |
H4 | C6 | H5 | 109.5° | 109.5° |
H7 | C4 | H8 | 109.4° | 109.5° |
H7 | C4 | H9 | 109.5° | 109.5° |
H8 | C4 | H9 | 109.5° | 109.4° |
H10 | C1 | H11 | 109.5° | 109.5° |
H12 | N2 | H13 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O13 | P12 | O11 | O14 | 114.1° | 120.0° |
O13 | P12 | O11 | O15 | 125.1° | 120.0° |
O13 | P12 | O14 | O15 | 140.3° | 120.0° |
O13 | P12 | O11 | P8 | 96.6° | 45.0° |
O13 | P12 | O14 | H1 | 0.0° | 179.9° |
O13 | P12 | O15 | H2 | 0.0° | 60.0° |
O9 | P8 | O10 | O11 | 126.5° | 120.0° |
O9 | P8 | O10 | O7 | 122.5° | 120.0° |
O9 | P8 | O11 | P12 | 167.4° | 40.0° |
O9 | P8 | O11 | O7 | 118.0° | 120.0° |
O9 | P8 | O7 | C6 | 41.6° | 55.1° |
O9 | P8 | O10 | H3 | 0.0° | 180.0° |
O10 | P8 | O11 | P12 | 34.0° | 79.9° |
O10 | P8 | O11 | O7 | 108.7° | 120.1° |
O10 | P8 | O7 | C6 | 170.2° | 65.0° |
O11 | P12 | O14 | O15 | 111.8° | 120.0° |
P12 | O11 | P8 | O7 | 74.6° | 160.0° |
O11 | P12 | O14 | H1 | 107.9° | 59.9° |
O11 | P12 | O15 | H2 | 114.5° | 180.0° |
O14 | P12 | O11 | P8 | 149.3° | 75.0° |
O14 | P12 | O15 | H2 | 137.1° | 60.0° |
O15 | P12 | O11 | P8 | 28.4° | 165.0° |
O15 | P12 | O14 | H1 | 140.3° | 60.1° |
O11 | P8 | O7 | C6 | 73.7° | 175.0° |
O11 | P8 | O10 | H3 | 126.5° | 60.1° |
P8 | O7 | C6 | C5 | 76.1° | 180.0° |
O7 | P8 | O10 | H3 | 122.5° | 59.9° |
P8 | O7 | C6 | H4 | 43.6° | 60.1° |
P8 | O7 | C6 | H5 | 164.2° | 60.0° |
O7 | C6 | C5 | C3 | 117.6° | 135.0° |
O7 | C6 | C5 | H4 | 119.7° | 120.0° |
O7 | C6 | C5 | H5 | 119.7° | 120.0° |
O7 | C6 | H4 | H5 | 120.9° | 120.0° |
O7 | C6 | C5 | H6 | 62.4° | 45.1° |
C4 | C3 | C1 | C5 | 166.6° | 180.0° |
C4 | C3 | C1 | N2 | 82.3° | 85.0° |
C4 | C3 | C5 | C6 | 14.7° | 0.0° |
C4 | C3 | C5 | H6 | 165.3° | 180.0° |
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 | 158.4° | 34.9° |
C4 | C3 | C1 | H11 | 37.1° | 155.0° |
C3 | C1 | N2 | H10 | 119.4° | 120.0° |
C3 | C1 | N2 | H11 | 119.3° | 120.1° |
C1 | C3 | C5 | C6 | 179.5° | 180.0° |
C1 | C3 | C5 | H6 | 0.5° | 0.0° |
C1 | C3 | C4 | H7 | 180.0° | 90.0° |
C1 | C3 | C4 | H8 | 60.0° | 149.9° |
C1 | C3 | C4 | H9 | 60.0° | 30.0° |
C3 | C1 | H10 | H11 | 121.9° | 120.1° |
C3 | C1 | N2 | H12 | 180.0° | 180.0° |
C3 | C1 | N2 | H13 | 60.0° | 56.0° |
C5 | C3 | C1 | N2 | 84.4° | 95.0° |
C3 | C5 | C6 | H6 | 180.0° | 179.9° |
C3 | C5 | C6 | H4 | 2.1° | 15.0° |
C3 | C5 | C6 | H5 | 122.7° | 105.0° |
C5 | C3 | C4 | H7 | 14.2° | 90.0° |
C5 | C3 | C4 | H8 | 105.8° | 30.0° |
C5 | C3 | C4 | H9 | 134.2° | 150.0° |
C5 | C3 | C1 | H10 | 35.0° | 145.0° |
C5 | C3 | C1 | H11 | 156.3° | 25.0° |
N2 | C1 | H10 | H11 | 121.9° | 120.0° |
C1 | N2 | H12 | H13 | 120.0° | 124.0° |
C5 | C6 | H4 | H5 | 120.9° | 120.0° |
H4 | C6 | C5 | H6 | 177.9° | 165.0° |
H5 | C6 | C5 | H6 | 57.3° | 74.9° |
H7 | C4 | H8 | H9 | 120.0° | 120.0° |
H10 | C1 | N2 | H12 | 60.7° | 60.0° |
H10 | C1 | N2 | H13 | 179.3° | 176.0° |
H11 | C1 | N2 | H12 | 60.6° | 59.9° |
H11 | C1 | N2 | H13 | 59.4° | 64.0° |