O6P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O13 | C8 | sing | 1.43Å | 1.44Å | |
C8 | C9 | sing | 1.53Å | 1.52Å | |
C8 | C6 | sing | 1.53Å | 1.53Å | |
O12 | C7 | doub | 1.21Å | 1.22Å | |
C7 | C6 | sing | 1.51Å | 1.49Å | |
C7 | N4 | sing | 1.39Å | 1.32Å | |
O15 | C11 | doub | 1.22Å | 1.25Å | |
C6 | C5 | sing | 1.53Å | 1.55Å | |
N4 | C5 | sing | 1.48Å | 1.45Å | |
N4 | C3 | sing | 1.40Å | 1.32Å | |
C5 | C1 | sing | 1.54Å | 1.54Å | |
C11 | C3 | sing | 1.42Å | 1.47Å | |
C11 | O14 | sing | 1.35Å | 1.26Å | |
C3 | C2 | doub | 1.35Å | 1.33Å | |
C1 | C2 | sing | 1.51Å | 1.51Å | |
C1 | C10 | sing | 1.53Å | 1.53Å | |
C2 | S16 | sing | 1.76Å | 1.68Å | |
C18 | N19 | sing | 1.48Å | 1.48Å | |
C18 | C17 | sing | 1.55Å | 1.53Å | |
S16 | C17 | sing | 1.81Å | 1.77Å | |
N19 | C20 | sing | 1.47Å | 1.48Å | |
C17 | C21 | sing | 1.55Å | 1.52Å | |
N27 | S24 | sing | 1.66Å | 1.61Å | |
N23 | S24 | sing | 1.66Å | 1.62Å | |
N23 | C22 | sing | 1.47Å | 1.48Å | |
C20 | C21 | sing | 1.54Å | 1.53Å | |
C20 | C22 | sing | 1.53Å | 1.53Å | |
O25 | S24 | doub | 1.42Å | 1.43Å | |
S24 | O26 | doub | 1.42Å | 1.44Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C5 | H2 | sing | 1.09Å | 1.10Å | |
C6 | H3 | sing | 1.09Å | 1.10Å | |
C10 | H4 | sing | 1.09Å | 1.10Å | |
C10 | H5 | sing | 1.09Å | 1.10Å | |
C10 | H6 | sing | 1.09Å | 1.10Å | |
C17 | H7 | sing | 1.09Å | 1.10Å | |
C18 | H8 | sing | 1.09Å | 1.10Å | |
C18 | H9 | sing | 1.09Å | 1.10Å | |
C20 | H10 | sing | 1.09Å | 1.10Å | |
C21 | H11 | sing | 1.09Å | 1.10Å | |
C21 | H12 | sing | 1.09Å | 1.10Å | |
C22 | H13 | sing | 1.09Å | 1.10Å | |
C22 | H14 | sing | 1.09Å | 1.10Å | |
C8 | H15 | sing | 1.09Å | 1.10Å | |
C9 | H16 | sing | 1.09Å | 1.10Å | |
C9 | H17 | sing | 1.09Å | 1.10Å | |
C9 | H18 | sing | 1.09Å | 1.10Å | |
N19 | H19 | sing | 1.01Å | 1.00Å | |
N23 | H21 | sing | 0.97Å | 1.00Å | |
N27 | H22 | sing | 0.97Å | 1.00Å | |
N27 | H23 | sing | 0.97Å | 1.00Å | |
O13 | H24 | sing | 0.97Å | 0.95Å | |
O14 | H25 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O13 | C8 | C9 | 109.6° | 109.5° |
O13 | C8 | C6 | 111.7° | 109.5° |
O13 | C8 | H15 | 108.9° | 109.5° |
C8 | O13 | H24 | 109.5° | 113.9° |
C9 | C8 | C6 | 110.9° | 109.5° |
C9 | C8 | H15 | 107.9° | 109.5° |
C8 | C9 | H16 | 109.5° | 109.5° |
C8 | C9 | H17 | 109.4° | 109.5° |
C8 | C9 | H18 | 109.5° | 109.5° |
C8 | C6 | C7 | 111.8° | 113.8° |
C8 | C6 | C5 | 117.6° | 113.7° |
C8 | C6 | H3 | 112.6° | 112.9° |
C6 | C8 | H15 | 107.8° | 109.5° |
O12 | C7 | C6 | 132.4° | 134.1° |
O12 | C7 | N4 | 138.5° | 134.0° |
C6 | C7 | N4 | 89.1° | 91.9° |
C7 | C6 | C5 | 87.0° | 86.5° |
C7 | C6 | H3 | 113.2° | 113.7° |
C7 | N4 | C5 | 98.6° | 93.7° |
C7 | N4 | C3 | 138.2° | 118.4° |
O15 | C11 | C3 | 119.1° | 120.0° |
O15 | C11 | O14 | 120.8° | 120.0° |
C6 | C5 | N4 | 82.3° | 87.7° |
C6 | C5 | C1 | 120.5° | 114.3° |
C6 | C5 | H2 | 116.6° | 115.7° |
C5 | C6 | H3 | 112.2° | 113.7° |
C5 | N4 | C3 | 120.1° | 108.8° |
N4 | C5 | C1 | 93.9° | 104.6° |
N4 | C5 | H2 | 118.7° | 116.3° |
N4 | C3 | C11 | 128.1° | 123.5° |
N4 | C3 | C2 | 102.6° | 112.9° |
C5 | C1 | C2 | 104.8° | 104.6° |
C5 | C1 | C10 | 111.7° | 110.4° |
C5 | C1 | H1 | 109.5° | 110.6° |
C1 | C5 | H2 | 116.9° | 114.8° |
C3 | C11 | O14 | 120.0° | 120.0° |
C11 | C3 | C2 | 129.3° | 123.5° |
C11 | O14 | H25 | 109.5° | 114.0° |
C3 | C2 | C1 | 111.0° | 108.8° |
C3 | C2 | S16 | 125.1° | 125.6° |
C2 | C1 | C10 | 111.2° | 110.4° |
C1 | C2 | S16 | 123.9° | 125.6° |
C2 | C1 | H1 | 109.9° | 110.4° |
C10 | C1 | H1 | 109.7° | 110.4° |
C1 | C10 | H4 | 109.5° | 109.5° |
C1 | C10 | H5 | 109.5° | 109.4° |
C1 | C10 | H6 | 109.5° | 109.5° |
C2 | S16 | C17 | 109.2° | 100.0° |
N19 | C18 | C17 | 106.1° | 104.8° |
C18 | N19 | C20 | 106.8° | 108.6° |
N19 | C18 | H8 | 110.3° | 110.4° |
N19 | C18 | H9 | 110.3° | 110.4° |
C18 | N19 | H19 | 110.1° | 111.0° |
C18 | C17 | S16 | 111.5° | 111.1° |
C18 | C17 | C21 | 105.2° | 101.6° |
C18 | C17 | H7 | 111.3° | 111.0° |
C17 | C18 | H8 | 110.3° | 110.3° |
C17 | C18 | H9 | 110.3° | 110.4° |
S16 | C17 | C21 | 109.3° | 111.0° |
S16 | C17 | H7 | 108.2° | 110.9° |
N19 | C20 | C21 | 105.3° | 107.2° |
N19 | C20 | C22 | 111.2° | 109.9° |
N19 | C20 | H10 | 110.2° | 110.1° |
C20 | N19 | H19 | 110.2° | 111.0° |
C17 | C21 | C20 | 107.1° | 103.0° |
C21 | C17 | H7 | 111.3° | 110.9° |
C17 | C21 | H11 | 110.1° | 110.7° |
C17 | C21 | H12 | 110.0° | 110.7° |
N27 | S24 | N23 | 107.6° | 107.3° |
N27 | S24 | O25 | 107.8° | 106.4° |
N27 | S24 | O26 | 110.7° | 106.4° |
S24 | N27 | H22 | 109.5° | 120.0° |
S24 | N27 | H23 | 109.4° | 120.0° |
S24 | N23 | C22 | 113.3° | 120.0° |
N23 | S24 | O25 | 113.2° | 106.4° |
N23 | S24 | O26 | 110.4° | 106.4° |
S24 | N23 | H21 | 108.5° | 120.0° |
N23 | C22 | C20 | 108.1° | 109.4° |
N23 | C22 | H13 | 109.8° | 109.5° |
N23 | C22 | H14 | 109.8° | 109.5° |
C22 | N23 | H21 | 108.5° | 120.0° |
C21 | C20 | C22 | 111.1° | 109.9° |
C21 | C20 | H10 | 109.5° | 109.9° |
C20 | C21 | H11 | 110.1° | 110.8° |
C20 | C21 | H12 | 110.1° | 110.7° |
C22 | C20 | H10 | 109.4° | 109.9° |
C20 | C22 | H13 | 109.8° | 109.5° |
C20 | C22 | H14 | 109.8° | 109.5° |
O25 | S24 | O26 | 107.1° | 123.1° |
H4 | C10 | H5 | 109.5° | 109.5° |
H4 | C10 | H6 | 109.4° | 109.5° |
H5 | C10 | H6 | 109.5° | 109.5° |
H8 | C18 | H9 | 109.5° | 110.4° |
H11 | C21 | H12 | 109.5° | 110.8° |
H13 | C22 | H14 | 109.4° | 109.4° |
H16 | C9 | H17 | 109.5° | 109.5° |
H16 | C9 | H18 | 109.5° | 109.5° |
H17 | C9 | H18 | 109.5° | 109.4° |
H22 | N27 | H23 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O13 | C8 | C9 | C6 | 123.8° | 120.0° |
O13 | C8 | C9 | H15 | 118.5° | 120.0° |
O13 | C8 | C6 | H15 | 119.6° | 120.0° |
O13 | C8 | C6 | C7 | 22.4° | 157.0° |
O13 | C8 | C6 | C5 | 76.0° | 60.0° |
O13 | C8 | C6 | H3 | 151.1° | 71.5° |
O13 | C8 | C9 | H16 | 180.0° | 60.0° |
O13 | C8 | C9 | H17 | 60.0° | 60.0° |
O13 | C8 | C9 | H18 | 60.0° | 180.0° |
C9 | C8 | C6 | H15 | 117.8° | 120.0° |
C9 | C8 | C6 | C7 | 144.9° | 83.0° |
C9 | C8 | C6 | C5 | 46.5° | 180.0° |
C9 | C8 | C6 | H3 | 86.3° | 48.6° |
C8 | C9 | H16 | H17 | 120.0° | 120.0° |
C8 | C9 | H16 | H18 | 120.0° | 120.0° |
C8 | C9 | H17 | H18 | 120.0° | 120.0° |
C9 | C8 | O13 | H24 | 155.5° | 60.0° |
C8 | C6 | C7 | O12 | 47.5° | 62.7° |
C8 | C6 | C7 | C5 | 118.6° | 114.4° |
C8 | C6 | C7 | H3 | 128.4° | 131.2° |
C8 | C6 | C7 | N4 | 131.4° | 116.8° |
C8 | C6 | C5 | H3 | 133.0° | 131.1° |
C8 | C6 | C5 | N4 | 124.8° | 116.8° |
C8 | C6 | C5 | C1 | 145.2° | 138.2° |
C8 | C6 | C5 | H2 | 6.5° | 1.5° |
C6 | C8 | C9 | H16 | 56.2° | 60.0° |
C6 | C8 | C9 | H17 | 63.8° | 180.0° |
C6 | C8 | C9 | H18 | 176.3° | 60.0° |
C6 | C8 | O13 | H24 | 32.2° | 60.0° |
O12 | C7 | C6 | N4 | 178.9° | 179.5° |
O12 | C7 | C6 | C5 | 166.1° | 177.1° |
O12 | C7 | N4 | C5 | 164.9° | 177.0° |
O12 | C7 | N4 | C3 | 36.7° | 69.2° |
O12 | C7 | C6 | H3 | 81.0° | 68.5° |
C7 | C6 | C5 | H3 | 113.8° | 114.4° |
C6 | C7 | N4 | C5 | 13.9° | 2.5° |
C6 | C7 | N4 | C3 | 144.5° | 111.3° |
C7 | C6 | C5 | C1 | 101.7° | 107.3° |
C7 | C6 | C5 | H2 | 106.6° | 116.0° |
C7 | C6 | C8 | H15 | 97.3° | 37.0° |
C7 | N4 | C5 | C3 | 163.5° | 121.8° |
C7 | N4 | C5 | C1 | 133.7° | 117.0° |
C7 | N4 | C3 | C11 | 50.3° | 78.4° |
C7 | N4 | C3 | C2 | 127.6° | 101.5° |
C7 | N4 | C5 | H2 | 102.7° | 115.2° |
N4 | C7 | C6 | H3 | 100.2° | 112.0° |
O15 | C11 | C3 | N4 | 25.2° | 5.7° |
O15 | C11 | C3 | O14 | 178.6° | 180.0° |
O15 | C11 | C3 | C2 | 157.5° | 174.5° |
O15 | C11 | O14 | H25 | 0.0° | 5.0° |
C6 | C5 | N4 | C1 | 120.3° | 114.6° |
C6 | C5 | N4 | H2 | 116.1° | 117.7° |
C6 | C5 | N4 | C3 | 150.1° | 119.3° |
C6 | C5 | C1 | H2 | 151.7° | 137.1° |
C6 | C5 | C1 | C2 | 101.6° | 98.2° |
C6 | C5 | C1 | C10 | 18.8° | 20.5° |
C6 | C5 | C1 | H1 | 140.6° | 142.9° |
C5 | C6 | C8 | H15 | 164.3° | 60.0° |
N4 | C5 | C1 | H2 | 125.0° | 128.7° |
C5 | N4 | C3 | C11 | 154.6° | 176.4° |
C5 | N4 | C3 | C2 | 27.5° | 3.8° |
N4 | C5 | C1 | C2 | 18.3° | 4.0° |
N4 | C5 | C1 | C10 | 102.2° | 114.7° |
N4 | C5 | C1 | H1 | 136.1° | 122.9° |
N4 | C5 | C6 | H3 | 102.1° | 112.2° |
C3 | N4 | C5 | C1 | 29.8° | 4.7° |
N4 | C3 | C11 | C2 | 177.4° | 179.8° |
N4 | C3 | C11 | O14 | 153.5° | 174.4° |
N4 | C3 | C2 | C1 | 10.3° | 1.0° |
N4 | C3 | C2 | S16 | 168.4° | 179.1° |
C3 | N4 | C5 | H2 | 93.8° | 123.0° |
C5 | C1 | C2 | C3 | 6.5° | 2.0° |
C5 | C1 | C2 | C10 | 120.8° | 118.7° |
C5 | C1 | C2 | H1 | 117.6° | 118.9° |
C5 | C1 | C10 | H1 | 121.6° | 122.5° |
C5 | C1 | C2 | S16 | 174.8° | 177.8° |
C1 | C5 | C6 | H3 | 12.2° | 7.1° |
C5 | C1 | C10 | H4 | 180.0° | 176.2° |
C5 | C1 | C10 | H5 | 60.0° | 56.2° |
C5 | C1 | C10 | H6 | 60.0° | 63.8° |
C11 | C3 | C2 | C1 | 171.8° | 179.2° |
C11 | C3 | C2 | S16 | 9.5° | 0.7° |
C3 | C11 | O14 | H25 | 178.6° | 175.0° |
O14 | C11 | C3 | C2 | 23.9° | 5.5° |
C3 | C2 | C1 | S16 | 178.7° | 179.9° |
C3 | C2 | C1 | C10 | 114.3° | 116.7° |
C3 | C2 | S16 | C17 | 133.3° | 115.3° |
C3 | C2 | C1 | H1 | 124.1° | 121.0° |
C2 | C1 | C10 | H1 | 121.7° | 122.3° |
C1 | C2 | S16 | C17 | 48.2° | 64.6° |
C2 | C1 | C5 | H2 | 106.8° | 124.7° |
C2 | C1 | C10 | H4 | 63.4° | 68.7° |
C2 | C1 | C10 | H5 | 176.6° | 171.4° |
C2 | C1 | C10 | H6 | 56.6° | 51.3° |
C10 | C1 | C2 | S16 | 64.5° | 63.4° |
C10 | C1 | C5 | H2 | 132.8° | 116.6° |
C1 | C10 | H4 | H5 | 120.0° | 120.0° |
C1 | C10 | H4 | H6 | 120.0° | 120.0° |
C1 | C10 | H5 | H6 | 120.0° | 120.0° |
C2 | S16 | C17 | C18 | 62.0° | 77.8° |
C2 | S16 | C17 | C21 | 177.9° | 169.9° |
S16 | C2 | C1 | H1 | 57.2° | 58.9° |
C2 | S16 | C17 | H7 | 60.7° | 46.1° |
N19 | C18 | C17 | H8 | 119.5° | 118.8° |
N19 | C18 | C17 | H9 | 119.5° | 118.9° |
N19 | C18 | C17 | S16 | 98.3° | 155.1° |
C18 | N19 | C20 | H19 | 119.5° | 122.4° |
N19 | C18 | C17 | C21 | 20.1° | 37.0° |
C18 | N19 | C20 | C21 | 29.4° | 0.9° |
C18 | N19 | C20 | C22 | 149.9° | 118.4° |
N19 | C18 | C17 | H7 | 140.7° | 81.0° |
N19 | C18 | H8 | H9 | 121.6° | 122.3° |
C18 | N19 | C20 | H10 | 88.5° | 120.4° |
C18 | C17 | S16 | C21 | 115.9° | 112.3° |
C18 | C17 | S16 | H7 | 122.7° | 123.9° |
C17 | C18 | N19 | C20 | 31.2° | 24.0° |
C18 | C17 | C21 | H7 | 120.6° | 118.0° |
C18 | C17 | C21 | C20 | 2.2° | 35.6° |
C17 | C18 | H8 | H9 | 121.5° | 122.2° |
C18 | C17 | C21 | H11 | 117.5° | 154.1° |
C18 | C17 | C21 | H12 | 121.8° | 82.8° |
C17 | C18 | N19 | H19 | 88.4° | 146.4° |
S16 | C17 | C21 | H7 | 119.5° | 123.8° |
S16 | C17 | C21 | C20 | 117.7° | 153.8° |
S16 | C17 | C18 | H8 | 142.2° | 36.3° |
S16 | C17 | C18 | H9 | 21.2° | 86.0° |
S16 | C17 | C21 | H11 | 122.7° | 87.8° |
S16 | C17 | C21 | H12 | 2.0° | 35.4° |
N19 | C20 | C21 | C17 | 16.4° | 22.3° |
N19 | C20 | C22 | N23 | 20.7° | 57.3° |
N19 | C20 | C21 | C22 | 120.5° | 119.4° |
N19 | C20 | C21 | H10 | 118.4° | 119.6° |
N19 | C20 | C22 | H10 | 121.9° | 121.3° |
C20 | N19 | C18 | H8 | 88.3° | 94.8° |
C20 | N19 | C18 | H9 | 150.7° | 142.9° |
N19 | C20 | C21 | H11 | 136.1° | 140.7° |
N19 | C20 | C21 | H12 | 103.2° | 96.0° |
N19 | C20 | C22 | H13 | 99.1° | 177.3° |
N19 | C20 | C22 | H14 | 140.5° | 62.7° |
C17 | C21 | C20 | H11 | 119.6° | 118.4° |
C17 | C21 | C20 | H12 | 119.6° | 118.3° |
C17 | C21 | C20 | C22 | 137.0° | 141.7° |
C21 | C17 | C18 | H8 | 99.4° | 81.8° |
C21 | C17 | C18 | H9 | 139.6° | 155.9° |
C17 | C21 | C20 | H10 | 102.0° | 97.3° |
C17 | C21 | H11 | H12 | 121.1° | 123.1° |
N27 | S24 | N23 | O25 | 119.0° | 113.6° |
N27 | S24 | N23 | O26 | 120.9° | 113.5° |
N27 | S24 | N23 | C22 | 155.4° | 65.0° |
N27 | S24 | O25 | O26 | 119.1° | 122.9° |
N27 | S24 | N23 | H21 | 34.8° | 115.0° |
S24 | N27 | H22 | H23 | 120.0° | 180.0° |
S24 | N23 | C22 | H21 | 120.6° | 180.0° |
S24 | N23 | C22 | C20 | 175.1° | 165.0° |
N23 | S24 | O25 | O26 | 122.0° | 123.0° |
S24 | N23 | C22 | H13 | 65.1° | 45.0° |
S24 | N23 | C22 | H14 | 55.3° | 75.0° |
N23 | S24 | N27 | H22 | 180.0° | 150.0° |
N23 | S24 | N27 | H23 | 60.0° | 30.0° |
N23 | C22 | C20 | C21 | 137.7° | 175.0° |
N23 | C22 | C20 | H13 | 119.8° | 120.0° |
N23 | C22 | C20 | H14 | 119.8° | 120.0° |
C22 | N23 | S24 | O25 | 85.6° | 178.6° |
C22 | N23 | S24 | O26 | 34.4° | 48.5° |
N23 | C22 | C20 | H10 | 101.2° | 64.0° |
N23 | C22 | H13 | H14 | 120.6° | 120.0° |
C21 | C20 | C22 | H10 | 121.1° | 121.0° |
C20 | C21 | C17 | H7 | 122.8° | 82.4° |
C20 | C21 | H11 | H12 | 121.1° | 123.3° |
C21 | C20 | C22 | H13 | 17.9° | 65.0° |
C21 | C20 | C22 | H14 | 102.5° | 55.0° |
C21 | C20 | N19 | H19 | 90.1° | 123.3° |
C22 | C20 | C21 | H11 | 103.4° | 99.9° |
C22 | C20 | C21 | H12 | 17.4° | 23.3° |
C20 | C22 | H13 | H14 | 120.6° | 120.0° |
C22 | C20 | N19 | H19 | 30.4° | 3.9° |
C20 | C22 | N23 | H21 | 54.5° | 15.0° |
O25 | S24 | N23 | H21 | 153.8° | 1.4° |
O25 | S24 | N27 | H22 | 57.6° | 36.4° |
O25 | S24 | N27 | H23 | 62.4° | 143.6° |
O26 | S24 | N23 | H21 | 86.1° | 131.5° |
O26 | S24 | N27 | H22 | 59.2° | 96.4° |
O26 | S24 | N27 | H23 | 179.2° | 83.6° |
H1 | C1 | C5 | H2 | 11.1° | 5.8° |
H1 | C1 | C10 | H4 | 58.4° | 53.7° |
H1 | C1 | C10 | H5 | 61.7° | 66.3° |
H1 | C1 | C10 | H6 | 178.4° | 173.6° |
H2 | C5 | C6 | H3 | 139.6° | 129.6° |
H3 | C6 | C8 | H15 | 31.5° | 168.6° |
H4 | C10 | H5 | H6 | 120.0° | 120.0° |
H7 | C17 | C18 | H8 | 21.3° | 160.2° |
H7 | C17 | C18 | H9 | 99.8° | 37.9° |
H7 | C17 | C21 | H11 | 3.2° | 36.0° |
H7 | C17 | C21 | H12 | 117.6° | 159.2° |
H8 | C18 | N19 | H19 | 152.2° | 27.6° |
H9 | C18 | N19 | H19 | 31.1° | 94.7° |
H10 | C20 | C21 | H11 | 17.6° | 21.1° |
H10 | C20 | C21 | H12 | 138.4° | 144.4° |
H10 | C20 | C22 | H13 | 139.0° | 56.0° |
H10 | C20 | C22 | H14 | 18.6° | 176.0° |
H10 | C20 | N19 | H19 | 151.9° | 117.2° |
H13 | C22 | N23 | H21 | 174.3° | 135.0° |
H14 | C22 | N23 | H21 | 65.3° | 105.0° |
H15 | C8 | C9 | H16 | 61.5° | 180.0° |
H15 | C8 | C9 | H17 | 178.5° | 60.0° |
H15 | C8 | C9 | H18 | 58.5° | 59.9° |
H15 | C8 | O13 | H24 | 86.7° | 180.0° |
H16 | C9 | H17 | H18 | 120.0° | 120.0° |