05E
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O89 | P83 | doub | 1.48Å | 1.51Å | |
C95 | O96 | sing | 1.43Å | 1.42Å | |
C95 | C94 | sing | 1.53Å | 1.42Å | |
O93 | C92 | sing | 1.43Å | 1.42Å | |
C92 | C94 | sing | 1.53Å | 1.54Å | |
C92 | C90 | sing | 1.53Å | 1.47Å | |
P83 | O88 | sing | 1.61Å | 1.52Å | |
P83 | O84 | sing | 1.61Å | 1.63Å | |
P83 | O82 | sing | 1.61Å | 1.68Å | |
C94 | O97 | sing | 1.43Å | 1.54Å | |
O91 | C90 | sing | 1.43Å | 1.48Å | |
O84 | C85 | sing | 1.43Å | 1.40Å | |
C90 | C81 | sing | 1.53Å | 1.45Å | |
O97 | C80 | sing | 1.43Å | 1.45Å | |
O82 | C81 | sing | 1.43Å | 1.49Å | |
C85 | C86 | sing | 1.53Å | 1.53Å | |
C86 | N87 | sing | 1.47Å | 1.47Å | |
C81 | C80 | sing | 1.53Å | 1.48Å | |
C80 | O1 | sing | 1.43Å | 1.44Å | |
C80 | H1 | sing | 1.09Å | 1.10Å | |
C81 | H2 | sing | 1.09Å | 1.10Å | |
C85 | H3 | sing | 1.09Å | 1.10Å | |
C85 | H4 | sing | 1.09Å | 1.10Å | |
C86 | H5 | sing | 1.09Å | 1.10Å | |
C86 | H6 | sing | 1.09Å | 1.10Å | |
C90 | H7 | sing | 1.09Å | 1.10Å | |
C92 | H8 | sing | 1.09Å | 1.10Å | |
C94 | H9 | sing | 1.09Å | 1.10Å | |
C95 | H10 | sing | 1.09Å | 1.10Å | |
C95 | H11 | sing | 1.09Å | 1.10Å | |
N87 | H12 | sing | 1.01Å | 1.00Å | |
N87 | H13 | sing | 1.01Å | 1.00Å | |
O88 | H15 | sing | 0.97Å | 0.95Å | |
O91 | H16 | sing | 0.97Å | 0.95Å | |
O93 | H17 | sing | 0.97Å | 0.95Å | |
O96 | H18 | sing | 0.97Å | 0.95Å | |
O1 | H19 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O89 | P83 | O88 | 110.1° | 109.5° |
O89 | P83 | O84 | 108.0° | 109.5° |
O89 | P83 | O82 | 108.9° | 109.5° |
O96 | C95 | C94 | 110.3° | 109.5° |
O96 | C95 | H10 | 109.3° | 109.5° |
O96 | C95 | H11 | 109.3° | 109.4° |
C95 | O96 | H18 | 109.5° | 114.0° |
C95 | C94 | C92 | 108.1° | 109.5° |
C95 | C94 | O97 | 109.1° | 109.5° |
C95 | C94 | H9 | 111.7° | 109.5° |
C94 | C95 | H10 | 109.3° | 109.5° |
C94 | C95 | H11 | 109.2° | 109.5° |
O93 | C92 | C94 | 104.7° | 109.5° |
O93 | C92 | C90 | 107.4° | 109.6° |
O93 | C92 | H8 | 110.6° | 109.6° |
C92 | O93 | H17 | 109.5° | 114.0° |
C94 | C92 | C90 | 115.0° | 109.2° |
C92 | C94 | O97 | 108.1° | 109.4° |
C94 | C92 | H8 | 109.0° | 109.5° |
C92 | C94 | H9 | 109.9° | 109.5° |
C92 | C90 | O91 | 109.7° | 109.6° |
C92 | C90 | C81 | 114.3° | 109.0° |
C92 | C90 | H7 | 108.1° | 109.5° |
C90 | C92 | H8 | 110.0° | 109.5° |
O88 | P83 | O84 | 106.9° | 109.5° |
O88 | P83 | O82 | 111.8° | 109.4° |
P83 | O88 | H15 | 109.5° | 114.0° |
O84 | P83 | O82 | 111.1° | 109.5° |
P83 | O84 | C85 | 115.7° | 123.0° |
P83 | O82 | C81 | 124.7° | 123.0° |
C94 | O97 | C80 | 113.1° | 114.1° |
O97 | C94 | H9 | 109.9° | 109.4° |
O91 | C90 | C81 | 108.3° | 109.5° |
O91 | C90 | H7 | 108.0° | 109.6° |
C90 | O91 | H16 | 109.5° | 114.0° |
O84 | C85 | C86 | 107.7° | 109.5° |
O84 | C85 | H3 | 109.9° | 109.5° |
O84 | C85 | H4 | 109.9° | 109.5° |
C90 | C81 | O82 | 113.3° | 109.6° |
C90 | C81 | C80 | 113.1° | 109.2° |
C90 | C81 | H2 | 104.3° | 109.5° |
C81 | C90 | H7 | 108.2° | 109.6° |
O97 | C80 | C81 | 115.1° | 109.4° |
O97 | C80 | O1 | 111.6° | 109.4° |
O97 | C80 | H1 | 106.8° | 109.5° |
O82 | C81 | C80 | 116.4° | 109.5° |
O82 | C81 | H2 | 103.9° | 109.5° |
C85 | C86 | N87 | 108.7° | 109.5° |
C86 | C85 | H3 | 109.9° | 109.5° |
C86 | C85 | H4 | 109.9° | 109.4° |
C85 | C86 | H5 | 109.7° | 109.5° |
C85 | C86 | H6 | 109.6° | 109.5° |
N87 | C86 | H5 | 109.6° | 109.5° |
N87 | C86 | H6 | 109.6° | 109.5° |
C86 | N87 | H12 | 109.5° | 111.0° |
C86 | N87 | H13 | 109.4° | 111.1° |
C81 | C80 | O1 | 109.5° | 109.5° |
C81 | C80 | H1 | 106.4° | 109.5° |
C80 | C81 | H2 | 104.1° | 109.5° |
O1 | C80 | H1 | 106.9° | 109.5° |
C80 | O1 | H19 | 109.5° | 114.0° |
H3 | C85 | H4 | 109.4° | 109.4° |
H5 | C86 | H6 | 109.5° | 109.4° |
H10 | C95 | H11 | 109.4° | 109.5° |
H12 | N87 | H13 | 109.4° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O89 | P83 | O88 | O84 | 117.1° | 120.0° |
O89 | P83 | O88 | O82 | 121.2° | 120.0° |
O89 | P83 | O84 | O82 | 119.3° | 120.0° |
O89 | P83 | O84 | C85 | 132.1° | 55.0° |
O89 | P83 | O82 | C81 | 103.7° | 54.9° |
O89 | P83 | O88 | H15 | 0.0° | 180.0° |
O96 | C95 | C94 | H10 | 120.2° | 120.0° |
O96 | C95 | C94 | H11 | 120.1° | 120.0° |
O96 | C95 | C94 | C92 | 120.9° | 175.0° |
O96 | C95 | C94 | O97 | 121.8° | 65.0° |
O96 | C95 | C94 | H9 | 0.1° | 54.9° |
O96 | C95 | H10 | H11 | 119.6° | 120.0° |
C95 | C94 | C92 | O93 | 75.0° | 62.5° |
C95 | C94 | C92 | O97 | 118.0° | 120.0° |
C95 | C94 | C92 | H9 | 122.1° | 120.1° |
C95 | C94 | C92 | C90 | 167.3° | 177.6° |
C95 | C94 | O97 | H9 | 122.8° | 120.0° |
C95 | C94 | O97 | C80 | 167.8° | 178.8° |
C95 | C94 | C92 | H8 | 43.3° | 57.7° |
C94 | C95 | H10 | H11 | 119.6° | 120.0° |
C94 | C95 | O96 | H18 | 180.0° | 180.0° |
O93 | C92 | C94 | C90 | 117.7° | 119.9° |
O93 | C92 | C94 | H8 | 118.4° | 120.2° |
O93 | C92 | C90 | H8 | 120.5° | 120.2° |
O93 | C92 | C94 | O97 | 167.0° | 177.5° |
O93 | C92 | C90 | O91 | 72.7° | 63.2° |
O93 | C92 | C90 | C81 | 165.4° | 176.9° |
O93 | C92 | C90 | H7 | 44.8° | 57.0° |
O93 | C92 | C94 | H9 | 47.1° | 57.6° |
C94 | C92 | C90 | H8 | 123.4° | 119.9° |
C92 | C94 | O97 | H9 | 119.9° | 120.0° |
C94 | C92 | C90 | O91 | 171.2° | 176.9° |
C94 | C92 | C90 | C81 | 49.3° | 57.0° |
C92 | C94 | O97 | C80 | 50.5° | 61.1° |
C94 | C92 | C90 | H7 | 71.3° | 62.9° |
C92 | C94 | C95 | H10 | 118.9° | 55.0° |
C92 | C94 | C95 | H11 | 0.8° | 65.0° |
C94 | C92 | O93 | H17 | 180.0° | 60.0° |
C90 | C92 | C94 | O97 | 49.3° | 57.6° |
C92 | C90 | O91 | C81 | 125.4° | 119.6° |
C92 | C90 | O91 | H7 | 117.6° | 120.2° |
C92 | C90 | C81 | H7 | 120.6° | 119.9° |
C92 | C90 | C81 | O82 | 88.3° | 63.0° |
C92 | C90 | C81 | C80 | 46.9° | 57.0° |
C92 | C90 | C81 | H2 | 159.3° | 176.9° |
C90 | C92 | C94 | H9 | 70.6° | 62.3° |
C92 | C90 | O91 | H16 | 180.0° | 60.4° |
C90 | C92 | O93 | H17 | 57.3° | 179.7° |
O88 | P83 | O84 | O82 | 122.2° | 120.0° |
O88 | P83 | O84 | C85 | 13.6° | 65.0° |
O88 | P83 | O82 | C81 | 18.2° | 65.1° |
O84 | P83 | O82 | C81 | 137.5° | 175.0° |
P83 | O84 | C85 | C86 | 173.7° | 180.0° |
P83 | O84 | C85 | H3 | 54.0° | 60.0° |
P83 | O84 | C85 | H4 | 66.5° | 60.0° |
O84 | P83 | O88 | H15 | 117.1° | 60.0° |
O82 | P83 | O84 | C85 | 108.6° | 175.0° |
P83 | O82 | C81 | C90 | 102.3° | 120.3° |
P83 | O82 | C81 | C80 | 31.4° | 119.9° |
P83 | O82 | C81 | H2 | 145.1° | 0.2° |
O82 | P83 | O88 | H15 | 121.2° | 60.0° |
C94 | O97 | C80 | C81 | 52.7° | 61.1° |
C94 | O97 | C80 | O1 | 72.9° | 58.8° |
C94 | O97 | C80 | H1 | 170.6° | 178.9° |
O97 | C94 | C92 | H8 | 74.6° | 62.3° |
O97 | C94 | C95 | H10 | 1.6° | 174.9° |
O97 | C94 | C95 | H11 | 118.1° | 55.0° |
O91 | C90 | C81 | H7 | 116.8° | 120.2° |
O91 | C90 | C81 | O82 | 34.3° | 57.0° |
O91 | C90 | C81 | C80 | 169.5° | 176.9° |
O91 | C90 | C81 | H2 | 78.0° | 63.2° |
O91 | C90 | C92 | H8 | 47.7° | 57.0° |
O84 | C85 | C86 | H3 | 119.8° | 120.0° |
O84 | C85 | C86 | H4 | 119.7° | 120.0° |
O84 | C85 | C86 | N87 | 147.8° | 65.0° |
O84 | C85 | H3 | H4 | 120.8° | 120.0° |
O84 | C85 | C86 | H5 | 92.3° | 175.0° |
O84 | C85 | C86 | H6 | 27.9° | 55.0° |
C90 | C81 | C80 | O97 | 49.6° | 57.6° |
C90 | C81 | O82 | C80 | 133.7° | 119.7° |
C90 | C81 | O82 | H2 | 112.6° | 120.1° |
C90 | C81 | C80 | H2 | 112.6° | 119.9° |
C90 | C81 | C80 | O1 | 77.1° | 62.4° |
C90 | C81 | C80 | H1 | 167.7° | 177.6° |
C81 | C90 | C92 | H8 | 74.1° | 62.9° |
C81 | C90 | O91 | H16 | 54.6° | 180.0° |
O97 | C80 | C81 | O82 | 84.2° | 62.4° |
O97 | C80 | C81 | O1 | 126.7° | 119.9° |
O97 | C80 | C81 | H1 | 118.1° | 120.0° |
O97 | C80 | O1 | H1 | 116.4° | 120.1° |
O97 | C80 | C81 | H2 | 162.1° | 177.5° |
C80 | O97 | C94 | H9 | 69.3° | 58.8° |
O97 | C80 | O1 | H19 | 180.0° | 60.1° |
O82 | C81 | C80 | H2 | 113.7° | 120.1° |
O82 | C81 | C80 | O1 | 149.1° | 177.7° |
O82 | C81 | C80 | H1 | 33.9° | 57.6° |
O82 | C81 | C90 | H7 | 151.1° | 177.2° |
C85 | C86 | N87 | H5 | 119.9° | 120.0° |
C85 | C86 | N87 | H6 | 119.9° | 120.0° |
C86 | C85 | H3 | H4 | 120.8° | 119.9° |
C85 | C86 | H5 | H6 | 120.3° | 120.0° |
C85 | C86 | N87 | H12 | 180.0° | 56.1° |
C85 | C86 | N87 | H13 | 60.0° | 180.0° |
N87 | C86 | C85 | H3 | 28.0° | 175.0° |
N87 | C86 | C85 | H4 | 92.5° | 55.0° |
N87 | C86 | H5 | H6 | 120.3° | 120.0° |
C86 | N87 | H12 | H13 | 120.0° | 124.0° |
C81 | C80 | O1 | H1 | 114.9° | 120.0° |
C80 | C81 | C90 | H7 | 73.7° | 62.9° |
C81 | C80 | O1 | H19 | 51.4° | 180.0° |
O1 | C80 | C81 | H2 | 35.4° | 57.6° |
H1 | C80 | C81 | H2 | 79.8° | 62.5° |
H1 | C80 | O1 | H19 | 63.6° | 60.0° |
H2 | C81 | C90 | H7 | 38.8° | 57.0° |
H3 | C85 | C86 | H5 | 147.9° | 54.9° |
H3 | C85 | C86 | H6 | 91.8° | 65.0° |
H4 | C85 | C86 | H5 | 27.4° | 65.0° |
H4 | C85 | C86 | H6 | 147.6° | 175.1° |
H5 | C86 | N87 | H12 | 60.2° | 64.0° |
H5 | C86 | N87 | H13 | 179.9° | 60.0° |
H6 | C86 | N87 | H12 | 60.1° | 176.1° |
H6 | C86 | N87 | H13 | 59.9° | 60.0° |
H7 | C90 | C92 | H8 | 165.2° | 177.2° |
H7 | C90 | O91 | H16 | 62.4° | 59.8° |
H8 | C92 | C94 | H9 | 165.5° | 177.8° |
H8 | C92 | O93 | H17 | 62.7° | 60.2° |
H9 | C94 | C95 | H10 | 120.1° | 65.1° |
H9 | C94 | C95 | H11 | 120.2° | 174.9° |
H10 | C95 | O96 | H18 | 59.8° | 59.9° |
H11 | C95 | O96 | H18 | 59.9° | 60.0° |