Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P1 | O5 | sing | 1.61Å | 1.52Å | |
P1 | O6 | doub | 1.48Å | 1.48Å | |
P1 | O7 | sing | 1.61Å | 1.51Å | |
N1 | C1 | sing | 1.35Å | 1.38Å | |
N1 | C5 | sing | 1.36Å | 1.37Å | |
N1 | C6 | sing | 1.46Å | 1.46Å | |
C1 | O1 | doub | 1.22Å | 1.25Å | |
C1 | N2 | sing | 1.33Å | 1.36Å | |
C2 | O2 | sing | 1.43Å | 1.44Å | |
N2 | C3 | doub | 1.33Å | 1.36Å | |
C3 | N3 | sing | 1.38Å | 1.41Å | |
C3 | C4 | sing | 1.41Å | 1.40Å | |
N3 | C7 | sing | 1.47Å | 1.48Å | |
N3 | HN4 | sing | 0.97Å | 1.00Å | |
C4 | C5 | doub | 1.35Å | 1.40Å | |
C4 | H5 | sing | 1.08Å | 1.08Å | |
C5 | H6 | sing | 1.08Å | 1.08Å | |
C6 | C8 | sing | 1.55Å | 1.54Å | |
C6 | O4 | sing | 1.44Å | 1.44Å | |
C6 | H1' | sing | 1.09Å | 1.10Å | |
C7 | H10 | sing | 1.09Å | 1.10Å | |
C7 | H10A | sing | 1.09Å | 1.10Å | |
C7 | H10B | sing | 1.09Å | 1.10Å | |
C8 | O2 | sing | 1.43Å | 1.45Å | |
C8 | C9 | sing | 1.55Å | 1.54Å | |
C8 | H2' | sing | 1.09Å | 1.10Å | |
C9 | O3 | sing | 1.43Å | 1.43Å | |
C9 | C10 | sing | 1.54Å | 1.55Å | |
C9 | H3' | sing | 1.09Å | 1.10Å | |
O3 | HO3' | sing | 0.97Å | 0.95Å | |
C10 | O4 | sing | 1.44Å | 1.44Å | |
C10 | C11 | sing | 1.53Å | 1.55Å | |
C10 | H4' | sing | 1.09Å | 1.10Å | |
C11 | O5 | sing | 1.43Å | 1.34Å | |
C11 | H5' | sing | 1.09Å | 1.10Å | |
C11 | H5'A | sing | 1.09Å | 1.10Å | |
P1 | O8 | sing | 1.61Å | 1.51Å | |
C2 | H14 | sing | 1.09Å | 1.10Å | |
C2 | H15 | sing | 1.09Å | 1.10Å | |
C2 | H16 | sing | 1.09Å | 1.10Å | |
O7 | H17 | sing | 0.97Å | 0.95Å | |
O8 | H18 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5 | P1 | O6 | 110.0° | 109.4° |
O5 | P1 | O7 | 109.1° | 109.4° |
P1 | O5 | C11 | 125.3° | 123.0° |
O5 | P1 | O8 | 109.3° | 109.5° |
O6 | P1 | O7 | 109.8° | 109.5° |
O6 | P1 | O8 | 109.7° | 109.5° |
O7 | P1 | O8 | 108.9° | 109.5° |
P1 | O7 | H17 | 109.5° | 114.0° |
C1 | N1 | C5 | 118.2° | 120.3° |
C1 | N1 | C6 | 121.5° | 119.8° |
N1 | C1 | O1 | 123.0° | 119.4° |
N1 | C1 | N2 | 120.9° | 121.1° |
C5 | N1 | C6 | 120.3° | 119.9° |
N1 | C5 | C4 | 121.5° | 119.3° |
N1 | C5 | H6 | 119.3° | 120.3° |
N1 | C6 | C8 | 112.9° | 110.6° |
N1 | C6 | O4 | 113.4° | 110.6° |
N1 | C6 | H1' | 109.0° | 110.5° |
O1 | C1 | N2 | 116.1° | 119.5° |
C1 | N2 | C3 | 122.3° | 120.7° |
C2 | O2 | C8 | 114.9° | 114.0° |
O2 | C2 | H14 | 109.5° | 109.5° |
O2 | C2 | H15 | 109.4° | 109.4° |
O2 | C2 | H16 | 109.4° | 109.4° |
N2 | C3 | N3 | 120.7° | 120.2° |
N2 | C3 | C4 | 118.7° | 119.6° |
N3 | C3 | C4 | 120.6° | 120.2° |
C3 | N3 | C7 | 113.8° | 120.0° |
C3 | N3 | HN4 | 123.1° | 120.0° |
C3 | C4 | C5 | 118.3° | 119.0° |
C3 | C4 | H5 | 120.8° | 120.5° |
C7 | N3 | HN4 | 123.1° | 120.0° |
N3 | C7 | H10 | 109.5° | 109.4° |
N3 | C7 | H10A | 109.5° | 109.5° |
N3 | C7 | H10B | 109.5° | 109.5° |
C5 | C4 | H5 | 120.8° | 120.5° |
C4 | C5 | H6 | 119.2° | 120.4° |
C8 | C6 | O4 | 104.3° | 103.5° |
C8 | C6 | H1' | 107.9° | 110.6° |
C6 | C8 | O2 | 110.9° | 110.9° |
C6 | C8 | C9 | 102.2° | 102.1° |
C6 | C8 | H2' | 109.2° | 110.9° |
O4 | C6 | H1' | 109.2° | 110.8° |
C6 | O4 | C10 | 108.1° | 107.0° |
H10 | C7 | H10A | 109.4° | 109.5° |
H10 | C7 | H10B | 109.5° | 109.5° |
H10A | C7 | H10B | 109.5° | 109.5° |
O2 | C8 | C9 | 114.4° | 110.9° |
O2 | C8 | H2' | 110.5° | 110.8° |
C9 | C8 | H2' | 109.2° | 111.0° |
C8 | C9 | O3 | 111.4° | 110.5° |
C8 | C9 | C10 | 104.3° | 104.2° |
C8 | C9 | H3' | 109.5° | 110.5° |
O3 | C9 | C10 | 110.8° | 110.5° |
O3 | C9 | H3' | 111.2° | 110.5° |
C9 | O3 | HO3' | 109.5° | 114.0° |
C10 | C9 | H3' | 109.4° | 110.6° |
C9 | C10 | O4 | 106.9° | 107.3° |
C9 | C10 | C11 | 113.3° | 109.9° |
C9 | C10 | H4' | 108.3° | 109.9° |
O4 | C10 | C11 | 110.3° | 109.9° |
O4 | C10 | H4' | 109.8° | 109.9° |
C11 | C10 | H4' | 108.3° | 110.0° |
C10 | C11 | O5 | 111.4° | 109.5° |
C10 | C11 | H5' | 109.0° | 109.5° |
C10 | C11 | H5'A | 109.0° | 109.5° |
O5 | C11 | H5' | 109.0° | 109.4° |
O5 | C11 | H5'A | 109.0° | 109.4° |
H5' | C11 | H5'A | 109.5° | 109.5° |
P1 | O8 | H18 | 109.5° | 114.0° |
H14 | C2 | H15 | 109.5° | 109.5° |
H14 | C2 | H16 | 109.5° | 109.5° |
H15 | C2 | H16 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | P1 | O6 | O7 | 120.2° | 120.0° |
O5 | P1 | O6 | O8 | 120.2° | 120.0° |
O5 | P1 | O7 | O8 | 119.2° | 120.0° |
P1 | O5 | C11 | C10 | 177.6° | 180.0° |
P1 | O5 | C11 | H5' | 57.4° | 60.0° |
P1 | O5 | C11 | H5'A | 62.1° | 60.0° |
O5 | P1 | O7 | H17 | 120.7° | 60.0° |
O5 | P1 | O8 | H18 | 120.6° | 180.0° |
O6 | P1 | O7 | O8 | 120.1° | 120.0° |
O6 | P1 | O5 | C11 | 60.5° | 55.0° |
O6 | P1 | O7 | H17 | 0.0° | 180.0° |
O6 | P1 | O8 | H18 | 0.0° | 60.0° |
O7 | P1 | O5 | C11 | 60.1° | 65.0° |
O7 | P1 | O8 | H18 | 120.2° | 60.0° |
C1 | N1 | C5 | C6 | 179.9° | 179.7° |
N1 | C1 | O1 | N2 | 180.0° | 180.0° |
N1 | C1 | N2 | C3 | 1.0° | 0.0° |
C1 | N1 | C5 | C4 | 3.3° | 0.0° |
C1 | N1 | C5 | H6 | 176.7° | 180.0° |
C1 | N1 | C6 | C8 | 92.9° | 65.0° |
C1 | N1 | C6 | O4 | 148.8° | 49.1° |
C1 | N1 | C6 | H1' | 27.0° | 172.1° |
C5 | N1 | C1 | O1 | 176.7° | 180.0° |
C5 | N1 | C1 | N2 | 3.3° | 0.0° |
N1 | C5 | C4 | C3 | 1.0° | 0.0° |
N1 | C5 | C4 | H6 | 180.0° | 180.0° |
N1 | C5 | C4 | H5 | 179.0° | 180.0° |
C5 | N1 | C6 | C8 | 87.0° | 114.7° |
C5 | N1 | C6 | O4 | 31.3° | 131.2° |
C5 | N1 | C6 | H1' | 153.2° | 8.1° |
C6 | N1 | C1 | O1 | 3.2° | 0.3° |
C6 | N1 | C1 | N2 | 176.8° | 179.7° |
C6 | N1 | C5 | C4 | 176.8° | 179.7° |
C6 | N1 | C5 | H6 | 3.2° | 0.3° |
N1 | C6 | C8 | O4 | 123.5° | 118.5° |
N1 | C6 | C8 | H1' | 120.5° | 122.8° |
N1 | C6 | O4 | H1' | 121.8° | 122.9° |
N1 | C6 | C8 | O2 | 77.9° | 86.2° |
N1 | C6 | C8 | C9 | 159.7° | 155.6° |
N1 | C6 | C8 | H2' | 44.2° | 37.3° |
N1 | C6 | O4 | C10 | 160.2° | 158.6° |
O1 | C1 | N2 | C3 | 179.0° | 180.0° |
C1 | N2 | C3 | N3 | 179.6° | 180.0° |
C1 | N2 | C3 | C4 | 1.4° | 0.0° |
C2 | O2 | C8 | C6 | 170.7° | 150.0° |
C2 | O2 | C8 | C9 | 74.3° | 97.3° |
C2 | O2 | C8 | H2' | 49.5° | 26.4° |
O2 | C2 | H14 | H15 | 120.0° | 120.0° |
O2 | C2 | H14 | H16 | 120.0° | 119.9° |
O2 | C2 | H15 | H16 | 120.0° | 119.9° |
N2 | C3 | N3 | C4 | 178.2° | 180.0° |
N2 | C3 | N3 | C7 | 89.4° | 0.0° |
N2 | C3 | N3 | HN4 | 90.6° | 180.0° |
N2 | C3 | C4 | C5 | 1.4° | 0.0° |
N2 | C3 | C4 | H5 | 178.7° | 179.9° |
C3 | N3 | C7 | HN4 | 180.0° | 180.0° |
N3 | C3 | C4 | C5 | 179.6° | 180.0° |
N3 | C3 | C4 | H5 | 0.4° | 0.1° |
C3 | N3 | C7 | H10 | 180.0° | 60.0° |
C3 | N3 | C7 | H10A | 60.0° | 60.0° |
C3 | N3 | C7 | H10B | 60.0° | 180.0° |
C4 | C3 | N3 | C7 | 92.4° | 180.0° |
C4 | C3 | N3 | HN4 | 87.6° | 0.1° |
C3 | C4 | C5 | H5 | 180.0° | 180.0° |
C3 | C4 | C5 | H6 | 179.0° | 180.0° |
N3 | C7 | H10 | H10A | 120.0° | 120.0° |
N3 | C7 | H10 | H10B | 120.0° | 120.0° |
N3 | C7 | H10A | H10B | 120.0° | 120.0° |
HN4 | N3 | C7 | H10 | 0.1° | 120.0° |
HN4 | N3 | C7 | H10A | 120.1° | 120.1° |
HN4 | N3 | C7 | H10B | 120.0° | 0.0° |
H5 | C4 | C5 | H6 | 1.0° | 0.1° |
C8 | C6 | O4 | H1' | 115.1° | 118.6° |
C6 | C8 | O2 | C9 | 115.0° | 112.7° |
C6 | C8 | O2 | H2' | 121.2° | 123.6° |
C6 | C8 | C9 | H2' | 115.6° | 118.2° |
C6 | C8 | C9 | O3 | 97.1° | 97.8° |
C6 | C8 | C9 | C10 | 22.5° | 20.9° |
C6 | C8 | C9 | H3' | 139.5° | 139.7° |
C8 | C6 | O4 | C10 | 37.0° | 40.0° |
O4 | C6 | C8 | O2 | 158.6° | 155.2° |
O4 | C6 | C8 | C9 | 36.2° | 37.0° |
O4 | C6 | C8 | H2' | 79.4° | 81.2° |
C6 | O4 | C10 | C9 | 22.1° | 26.5° |
C6 | O4 | C10 | C11 | 145.7° | 145.9° |
C6 | O4 | C10 | H4' | 95.1° | 92.9° |
H1' | C6 | C8 | O2 | 42.6° | 36.5° |
H1' | C6 | C8 | C9 | 79.8° | 81.7° |
H1' | C6 | C8 | H2' | 164.6° | 160.1° |
H1' | C6 | O4 | C10 | 78.1° | 78.5° |
H10 | C7 | H10A | H10B | 120.0° | 120.0° |
O2 | C8 | C9 | H2' | 124.5° | 123.6° |
O2 | C8 | C9 | O3 | 22.8° | 20.4° |
O2 | C8 | C9 | C10 | 142.4° | 139.1° |
O2 | C8 | C9 | H3' | 100.6° | 102.1° |
C8 | O2 | C2 | H14 | 180.0° | 59.9° |
C8 | O2 | C2 | H15 | 60.0° | 180.0° |
C8 | O2 | C2 | H16 | 60.0° | 60.0° |
C8 | C9 | O3 | C10 | 115.7° | 114.8° |
C8 | C9 | O3 | H3' | 122.5° | 122.5° |
C8 | C9 | C10 | H3' | 117.1° | 118.7° |
C8 | C9 | O3 | HO3' | 180.0° | 180.0° |
C8 | C9 | C10 | O4 | 1.6° | 2.0° |
C8 | C9 | C10 | C11 | 120.1° | 121.4° |
C8 | C9 | C10 | H4' | 119.8° | 117.4° |
H2' | C8 | C9 | O3 | 147.3° | 144.0° |
H2' | C8 | C9 | C10 | 93.1° | 97.3° |
H2' | C8 | C9 | H3' | 23.9° | 21.5° |
O3 | C9 | C10 | H3' | 122.9° | 122.6° |
O3 | C9 | C10 | O4 | 118.4° | 120.7° |
O3 | C9 | C10 | C11 | 119.9° | 119.9° |
O3 | C9 | C10 | H4' | 0.2° | 1.3° |
C10 | C9 | O3 | HO3' | 64.3° | 65.3° |
C9 | C10 | O4 | C11 | 123.5° | 119.4° |
C9 | C10 | O4 | H4' | 117.2° | 119.4° |
C9 | C10 | C11 | H4' | 120.1° | 121.1° |
C9 | C10 | C11 | O5 | 177.0° | 175.0° |
C9 | C10 | C11 | H5' | 56.8° | 55.0° |
C9 | C10 | C11 | H5'A | 62.7° | 65.1° |
H3' | C9 | O3 | HO3' | 57.5° | 57.4° |
H3' | C9 | C10 | O4 | 118.7° | 116.7° |
H3' | C9 | C10 | C11 | 3.0° | 2.7° |
H3' | C9 | C10 | H4' | 123.1° | 123.9° |
O4 | C10 | C11 | H4' | 120.2° | 121.1° |
O4 | C10 | C11 | O5 | 63.2° | 67.2° |
O4 | C10 | C11 | H5' | 176.5° | 172.9° |
O4 | C10 | C11 | H5'A | 57.0° | 52.8° |
C10 | C11 | O5 | H5' | 120.3° | 120.0° |
C10 | C11 | O5 | H5'A | 120.3° | 120.0° |
C10 | C11 | H5' | H5'A | 119.1° | 120.1° |
H4' | C10 | C11 | O5 | 56.9° | 53.9° |
H4' | C10 | C11 | H5' | 63.3° | 66.0° |
H4' | C10 | C11 | H5'A | 177.2° | 173.9° |
O5 | C11 | H5' | H5'A | 119.1° | 120.0° |
C11 | O5 | P1 | O8 | 179.1° | 175.0° |
O8 | P1 | O7 | H17 | 120.1° | 60.0° |
H14 | C2 | H15 | H16 | 120.0° | 120.1° |