574
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2' | B | sing | 1.43Å | 1.50Å | |
C12 | B | sing | 1.57Å | 1.50Å | |
B | O3' | sing | 1.43Å | 1.52Å | |
O2P | P | sing | 1.61Å | 1.50Å | |
O5' | P | sing | 1.61Å | 1.62Å | |
P | O1P | sing | 1.61Å | 1.51Å | |
C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
N1 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
C10 | O1 | sing | 1.43Å | 1.43Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N3 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
C6 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
C5 | N7 | sing | 1.35Å | 1.34Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.36Å | |
N6 | HN6 | sing | 0.97Å | 1.00Å | |
N6 | HN6A | sing | 0.97Å | 1.00Å | |
N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C1' | N9 | sing | 1.47Å | 1.49Å | |
C1' | O4' | sing | 1.45Å | 1.39Å | |
C1' | C2' | sing | 1.54Å | 1.54Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C11 | C10 | sing | 1.51Å | 1.49Å | |
C17 | C10 | sing | 1.53Å | 1.54Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C13 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
C16 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
N18 | C17 | sing | 1.47Å | 1.46Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H17A | sing | 1.09Å | 1.10Å | |
N18 | HN18 | sing | 1.01Å | 1.00Å | |
N18 | HN1A | sing | 1.01Å | 1.00Å | |
O1P | HO1P | sing | 0.97Å | 0.95Å | |
O2' | C2' | sing | 1.44Å | 1.43Å | |
C2' | C3' | sing | 1.56Å | 1.51Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2P | HO2P | sing | 0.97Å | 0.95Å | |
C4' | C3' | sing | 1.54Å | 1.51Å | |
C3' | O3' | sing | 1.44Å | 1.42Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O4' | C4' | sing | 1.44Å | 1.42Å | |
C4' | C5' | sing | 1.53Å | 1.51Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O5' | C5' | sing | 1.43Å | 1.41Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
P | O3P | doub | 1.48Å | 47.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2' | B | C12 | 116.9° | 127.6° |
O2' | B | O3' | 102.1° | 104.8° |
B | O2' | C2' | 112.1° | 104.9° |
C12 | B | O3' | 119.8° | 127.6° |
B | C12 | C11 | 111.7° | 120.1° |
B | C12 | C16 | 127.4° | 120.1° |
B | O3' | C3' | 110.7° | 104.8° |
O2P | P | O5' | 108.7° | 109.4° |
O2P | P | O1P | 122.0° | 109.5° |
P | O2P | HO2P | 109.5° | 114.0° |
O2P | P | O3P | 31.4° | 109.5° |
O5' | P | O1P | 107.2° | 109.5° |
P | O5' | C5' | 119.9° | 123.0° |
O5' | P | O3P | 112.0° | 109.5° |
P | O1P | HO1P | 109.5° | 114.0° |
O1P | P | O3P | 138.7° | 109.5° |
C2 | N1 | C6 | 121.2° | 121.2° |
N1 | C2 | N3 | 119.9° | 122.4° |
N1 | C2 | H2 | 120.1° | 118.8° |
N1 | C6 | C5 | 119.1° | 118.5° |
N1 | C6 | N6 | 120.8° | 120.8° |
C10 | O1 | HO1 | 109.5° | 114.0° |
O1 | C10 | C11 | 102.6° | 109.5° |
O1 | C10 | C17 | 104.2° | 109.4° |
O1 | C10 | H10 | 114.0° | 109.5° |
N3 | C2 | H2 | 120.0° | 118.8° |
C2 | N3 | C4 | 121.4° | 120.7° |
N3 | C4 | C5 | 119.6° | 119.0° |
N3 | C4 | N9 | 132.6° | 135.0° |
C5 | C4 | N9 | 107.8° | 106.0° |
C4 | C5 | C6 | 118.7° | 118.2° |
C4 | C5 | N7 | 108.2° | 107.1° |
C4 | N9 | C8 | 107.1° | 107.5° |
C4 | N9 | C1' | 126.6° | 126.3° |
C6 | C5 | N7 | 133.1° | 134.7° |
C5 | C6 | N6 | 120.1° | 120.7° |
C5 | N7 | C8 | 106.6° | 109.5° |
C6 | N6 | HN6 | 109.5° | 120.0° |
C6 | N6 | HN6A | 109.5° | 120.0° |
HN6 | N6 | HN6A | 109.5° | 120.0° |
N7 | C8 | N9 | 110.2° | 110.0° |
N7 | C8 | H8 | 124.9° | 125.1° |
N9 | C8 | H8 | 124.9° | 125.0° |
C8 | N9 | C1' | 125.3° | 126.2° |
N9 | C1' | O4' | 113.9° | 110.4° |
N9 | C1' | C2' | 107.6° | 110.3° |
N9 | C1' | H1' | 109.6° | 110.3° |
O4' | C1' | C2' | 105.2° | 104.9° |
O4' | C1' | H1' | 111.1° | 110.3° |
C1' | O4' | C4' | 111.2° | 105.3° |
C2' | C1' | H1' | 109.1° | 110.5° |
C1' | C2' | O2' | 113.1° | 109.0° |
C1' | C2' | C3' | 104.8° | 103.9° |
C1' | C2' | H2' | 110.5° | 112.8° |
C11 | C10 | C17 | 109.7° | 109.5° |
C11 | C10 | H10 | 113.2° | 109.5° |
C10 | C11 | C13 | 126.9° | 120.1° |
C10 | C11 | C12 | 112.4° | 120.1° |
C17 | C10 | H10 | 112.3° | 109.5° |
C10 | C17 | N18 | 111.5° | 109.5° |
C10 | C17 | H17 | 108.9° | 109.5° |
C10 | C17 | H17A | 109.0° | 109.5° |
C13 | C11 | C12 | 120.8° | 119.9° |
C11 | C13 | C14 | 119.0° | 120.1° |
C11 | C13 | H13 | 120.5° | 119.9° |
C11 | C12 | C16 | 120.8° | 119.7° |
C12 | C16 | C15 | 118.9° | 119.9° |
C12 | C16 | H16 | 120.5° | 120.0° |
C14 | C13 | H13 | 120.5° | 120.0° |
C13 | C14 | C15 | 120.3° | 120.3° |
C13 | C14 | H14 | 119.8° | 119.9° |
C15 | C14 | H14 | 119.8° | 119.9° |
C14 | C15 | C16 | 120.1° | 120.1° |
C14 | C15 | H15 | 119.9° | 120.0° |
C16 | C15 | H15 | 119.9° | 119.9° |
C15 | C16 | H16 | 120.5° | 120.1° |
N18 | C17 | H17 | 109.0° | 109.4° |
N18 | C17 | H17A | 109.0° | 109.5° |
C17 | N18 | HN18 | 109.5° | 111.0° |
C17 | N18 | HN1A | 109.5° | 110.9° |
H17 | C17 | H17A | 109.5° | 109.4° |
HN18 | N18 | HN1A | 109.5° | 111.0° |
O2' | C2' | C3' | 105.0° | 104.4° |
O2' | C2' | H2' | 112.1° | 113.1° |
C3' | C2' | H2' | 110.9° | 112.9° |
C2' | C3' | C4' | 103.0° | 103.9° |
C2' | C3' | O3' | 107.2° | 104.3° |
C2' | C3' | H3' | 112.1° | 113.0° |
C4' | C3' | O3' | 107.9° | 108.7° |
C4' | C3' | H3' | 112.1° | 113.4° |
C3' | C4' | O4' | 108.7° | 105.0° |
C3' | C4' | C5' | 112.5° | 110.3° |
C3' | C4' | H4' | 109.2° | 110.4° |
O3' | C3' | H3' | 113.7° | 112.9° |
O4' | C4' | C5' | 106.9° | 110.4° |
O4' | C4' | H4' | 110.4° | 110.4° |
C5' | C4' | H4' | 109.1° | 110.3° |
C4' | C5' | O5' | 105.4° | 109.5° |
C4' | C5' | H5' | 110.5° | 109.5° |
C4' | C5' | H5'A | 110.5° | 109.4° |
O5' | C5' | H5' | 110.5° | 109.5° |
O5' | C5' | H5'A | 110.5° | 109.5° |
H5' | C5' | H5'A | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2' | B | C12 | O3' | 124.2° | 179.7° |
B | O2' | C2' | C1' | 128.1° | 134.1° |
O2' | B | C12 | C11 | 111.1° | 0.3° |
O2' | B | C12 | C16 | 69.4° | 179.8° |
B | O2' | C2' | C3' | 14.4° | 23.6° |
B | O2' | C2' | H2' | 106.1° | 99.6° |
O2' | B | O3' | C3' | 5.5° | 40.1° |
B | C12 | C11 | C10 | 0.3° | 0.0° |
B | C12 | C11 | C13 | 179.4° | 179.8° |
B | C12 | C11 | C16 | 179.5° | 179.9° |
B | C12 | C16 | C15 | 179.7° | 180.0° |
B | C12 | C16 | H16 | 0.3° | 0.2° |
C12 | B | O2' | C2' | 138.8° | 140.3° |
C12 | B | O3' | C3' | 125.5° | 140.1° |
O3' | B | C12 | C11 | 124.7° | 180.0° |
O3' | B | C12 | C16 | 54.8° | 0.1° |
O3' | B | O2' | C2' | 6.1° | 39.9° |
B | O3' | C3' | C2' | 14.3° | 24.1° |
B | O3' | C3' | C4' | 96.1° | 134.5° |
B | O3' | C3' | H3' | 138.8° | 98.9° |
O2P | P | O5' | O1P | 133.6° | 120.0° |
O2P | P | O5' | O3P | 33.4° | 120.0° |
O2P | P | O1P | O3P | 35.5° | 120.0° |
O2P | P | O1P | HO1P | 180.0° | 60.0° |
O2P | P | O5' | C5' | 137.6° | 175.0° |
O5' | P | O1P | O3P | 161.6° | 120.0° |
O5' | P | O1P | HO1P | 53.9° | 60.0° |
O5' | P | O2P | HO2P | 180.0° | 180.0° |
P | O5' | C5' | C4' | 173.8° | 180.0° |
P | O5' | C5' | H5' | 54.5° | 60.0° |
P | O5' | C5' | H5'A | 66.8° | 60.0° |
O1P | P | O2P | HO2P | 54.6° | 60.0° |
O1P | P | O5' | C5' | 4.0° | 65.0° |
N1 | C2 | N3 | H2 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 0.6° | 0.0° |
C2 | N1 | C6 | C5 | 1.9° | 0.0° |
C2 | N1 | C6 | N6 | 179.2° | 180.0° |
C6 | N1 | C2 | N3 | 1.4° | 0.0° |
C6 | N1 | C2 | H2 | 178.5° | 180.0° |
N1 | C6 | C5 | C4 | 1.6° | 0.0° |
N1 | C6 | C5 | N6 | 178.9° | 180.0° |
N1 | C6 | C5 | N7 | 177.5° | 180.0° |
N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
O1 | C10 | C11 | C17 | 110.4° | 120.0° |
O1 | C10 | C11 | H10 | 123.4° | 120.0° |
O1 | C10 | C17 | H10 | 123.9° | 120.1° |
O1 | C10 | C11 | C13 | 176.0° | 24.7° |
O1 | C10 | C11 | C12 | 5.0° | 155.0° |
O1 | C10 | C17 | N18 | 51.9° | 65.1° |
O1 | C10 | C17 | H17 | 68.4° | 175.0° |
O1 | C10 | C17 | H17A | 172.2° | 55.0° |
HO1 | O1 | C10 | C11 | 180.0° | 60.0° |
HO1 | O1 | C10 | C17 | 65.5° | 60.0° |
HO1 | O1 | C10 | H10 | 57.2° | 180.0° |
C2 | N3 | C4 | C5 | 0.3° | 0.0° |
C2 | N3 | C4 | N9 | 178.6° | 180.0° |
H2 | C2 | N3 | C4 | 179.4° | 180.0° |
N3 | C4 | C5 | N9 | 179.2° | 180.0° |
N3 | C4 | C5 | C6 | 0.8° | 0.0° |
N3 | C4 | C5 | N7 | 178.4° | 180.0° |
N3 | C4 | N9 | C8 | 178.5° | 180.0° |
N3 | C4 | N9 | C1' | 9.4° | 0.0° |
C4 | C5 | C6 | N7 | 179.1° | 180.0° |
C4 | C5 | C6 | N6 | 179.5° | 180.0° |
C4 | C5 | N7 | C8 | 1.3° | 0.0° |
C5 | C4 | N9 | C8 | 2.5° | 0.0° |
C5 | C4 | N9 | C1' | 171.6° | 179.9° |
N9 | C4 | C5 | C6 | 178.3° | 180.0° |
N9 | C4 | C5 | N7 | 2.4° | 0.0° |
C4 | N9 | C8 | N7 | 1.7° | 0.0° |
C4 | N9 | C8 | C1' | 169.3° | 180.0° |
C4 | N9 | C8 | H8 | 178.3° | 180.0° |
C4 | N9 | C1' | O4' | 98.7° | 156.4° |
C4 | N9 | C1' | C2' | 145.0° | 88.1° |
C4 | N9 | C1' | H1' | 26.6° | 34.2° |
C5 | C6 | N6 | HN6 | 178.9° | 180.0° |
C5 | C6 | N6 | HN6A | 61.1° | 0.0° |
C6 | C5 | N7 | C8 | 179.6° | 180.0° |
N7 | C5 | C6 | N6 | 1.5° | 0.0° |
C5 | N7 | C8 | N9 | 0.2° | 0.0° |
C5 | N7 | C8 | H8 | 179.8° | 180.0° |
C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
N7 | C8 | N9 | H8 | 180.0° | 180.0° |
N7 | C8 | N9 | C1' | 171.0° | 179.9° |
C8 | N9 | C1' | O4' | 94.1° | 23.5° |
C8 | N9 | C1' | C2' | 22.2° | 91.9° |
C8 | N9 | C1' | H1' | 140.7° | 145.7° |
H8 | C8 | N9 | C1' | 9.0° | 0.0° |
N9 | C1' | O4' | C2' | 117.7° | 118.9° |
N9 | C1' | O4' | H1' | 124.4° | 122.2° |
N9 | C1' | C2' | H1' | 118.9° | 122.2° |
N9 | C1' | C2' | O2' | 151.2° | 106.2° |
N9 | C1' | C2' | C3' | 95.0° | 142.9° |
N9 | C1' | C2' | H2' | 24.5° | 20.3° |
N9 | C1' | O4' | C4' | 97.7° | 159.6° |
O4' | C1' | C2' | H1' | 119.3° | 118.9° |
O4' | C1' | C2' | O2' | 86.9° | 134.9° |
O4' | C1' | C2' | C3' | 26.9° | 24.0° |
O4' | C1' | C2' | H2' | 146.4° | 98.6° |
C1' | O4' | C4' | C3' | 5.2° | 40.7° |
C1' | O4' | C4' | C5' | 116.6° | 159.6° |
C1' | O4' | C4' | H4' | 124.9° | 78.2° |
C1' | C2' | O2' | C3' | 113.7° | 110.5° |
C1' | C2' | O2' | H2' | 125.8° | 126.3° |
C1' | C2' | C3' | H2' | 119.3° | 122.5° |
C1' | C2' | C3' | C4' | 23.1° | 0.0° |
C1' | C2' | C3' | O3' | 136.8° | 113.8° |
C1' | C2' | C3' | H3' | 97.7° | 123.2° |
C2' | C1' | O4' | C4' | 20.0° | 40.7° |
H1' | C1' | C2' | O2' | 32.3° | 16.0° |
H1' | C1' | C2' | C3' | 146.1° | 94.9° |
H1' | C1' | C2' | H2' | 94.4° | 142.5° |
H1' | C1' | O4' | C4' | 137.8° | 78.2° |
C11 | C10 | C17 | H10 | 126.8° | 120.0° |
C10 | C11 | C13 | C12 | 178.9° | 179.7° |
C10 | C11 | C12 | C16 | 179.8° | 180.0° |
C10 | C11 | C13 | C14 | 179.9° | 180.0° |
C10 | C11 | C13 | H13 | 0.1° | 0.0° |
C11 | C10 | C17 | N18 | 57.4° | 175.0° |
C11 | C10 | C17 | H17 | 177.7° | 55.0° |
C11 | C10 | C17 | H17A | 62.9° | 65.0° |
C17 | C10 | C11 | C13 | 73.7° | 95.2° |
C17 | C10 | C11 | C12 | 105.3° | 85.0° |
C10 | C17 | N18 | H17 | 120.3° | 120.0° |
C10 | C17 | N18 | H17A | 120.3° | 120.1° |
C10 | C17 | H17 | H17A | 119.1° | 120.0° |
C10 | C17 | N18 | HN18 | 180.0° | 180.0° |
C10 | C17 | N18 | HN1A | 60.0° | 56.0° |
H10 | C10 | C11 | C13 | 52.6° | 144.7° |
H10 | C10 | C11 | C12 | 128.4° | 35.0° |
H10 | C10 | C17 | N18 | 175.8° | 55.0° |
H10 | C10 | C17 | H17 | 55.5° | 65.0° |
H10 | C10 | C17 | H17A | 63.9° | 175.0° |
C13 | C11 | C12 | C16 | 1.1° | 0.3° |
C11 | C13 | C14 | H13 | 180.0° | 180.0° |
C11 | C13 | C14 | C15 | 0.7° | 0.0° |
C11 | C13 | C14 | H14 | 179.3° | 180.0° |
C12 | C11 | C13 | C14 | 1.0° | 0.3° |
C12 | C11 | C13 | H13 | 179.0° | 179.7° |
C11 | C12 | C16 | C15 | 0.9° | 0.1° |
C11 | C12 | C16 | H16 | 179.1° | 179.7° |
C12 | C16 | C15 | C14 | 0.6° | 0.2° |
C12 | C16 | C15 | H16 | 180.0° | 179.8° |
C12 | C16 | C15 | H15 | 179.4° | 179.9° |
C13 | C14 | C15 | H14 | 180.0° | 179.9° |
C13 | C14 | C15 | C16 | 0.5° | 0.2° |
C13 | C14 | C15 | H15 | 179.5° | 180.0° |
H13 | C13 | C14 | C15 | 179.3° | 180.0° |
H13 | C13 | C14 | H14 | 0.7° | 0.1° |
C14 | C15 | C16 | H15 | 180.0° | 179.8° |
C14 | C15 | C16 | H16 | 179.4° | 180.0° |
H14 | C14 | C15 | C16 | 179.5° | 179.7° |
H14 | C14 | C15 | H15 | 0.5° | 0.0° |
H15 | C15 | C16 | H16 | 0.6° | 0.3° |
N18 | C17 | H17 | H17A | 119.1° | 120.0° |
C17 | N18 | HN18 | HN1A | 120.0° | 123.9° |
H17 | C17 | N18 | HN18 | 59.7° | 60.0° |
H17 | C17 | N18 | HN1A | 179.7° | 176.0° |
H17A | C17 | N18 | HN18 | 59.7° | 59.9° |
H17A | C17 | N18 | HN1A | 60.3° | 64.0° |
HO1P | O1P | P | O3P | 144.5° | 180.0° |
O2' | C2' | C3' | H2' | 121.3° | 123.3° |
O2' | C2' | C3' | C4' | 96.4° | 114.2° |
O2' | C2' | C3' | O3' | 17.4° | 0.3° |
O2' | C2' | C3' | H3' | 142.9° | 122.6° |
C2' | C3' | C4' | O3' | 113.2° | 110.7° |
C2' | C3' | C4' | H3' | 120.8° | 123.0° |
C2' | C3' | O3' | H3' | 124.5° | 123.0° |
C2' | C3' | C4' | O4' | 12.1° | 24.1° |
C2' | C3' | C4' | C5' | 130.3° | 143.0° |
C2' | C3' | C4' | H4' | 108.4° | 94.9° |
H2' | C2' | C3' | C4' | 142.3° | 122.5° |
H2' | C2' | C3' | O3' | 103.9° | 123.6° |
H2' | C2' | C3' | H3' | 21.5° | 0.7° |
HO2P | O2P | P | O3P | 78.2° | 60.0° |
C4' | C3' | O3' | H3' | 125.1° | 126.7° |
C3' | C4' | O4' | C5' | 121.7° | 118.9° |
C3' | C4' | O4' | H4' | 119.7° | 118.9° |
C3' | C4' | C5' | H4' | 121.3° | 122.2° |
C3' | C4' | C5' | O5' | 177.6° | 175.0° |
C3' | C4' | C5' | H5' | 63.1° | 55.0° |
C3' | C4' | C5' | H5'A | 58.3° | 65.0° |
O3' | C3' | C4' | O4' | 125.3° | 134.7° |
O3' | C3' | C4' | C5' | 116.5° | 106.4° |
O3' | C3' | C4' | H4' | 4.8° | 15.7° |
H3' | C3' | C4' | O4' | 108.7° | 98.9° |
H3' | C3' | C4' | C5' | 9.6° | 20.0° |
H3' | C3' | C4' | H4' | 130.9° | 142.1° |
O4' | C4' | C5' | H4' | 119.4° | 122.3° |
O4' | C4' | C5' | O5' | 58.3° | 69.4° |
O4' | C4' | C5' | H5' | 177.6° | 170.5° |
O4' | C4' | C5' | H5'A | 61.0° | 50.5° |
C4' | C5' | O5' | H5' | 119.4° | 120.0° |
C4' | C5' | O5' | H5'A | 119.3° | 120.0° |
C4' | C5' | H5' | H5'A | 121.9° | 120.0° |
H4' | C4' | C5' | O5' | 61.0° | 52.8° |
H4' | C4' | C5' | H5' | 58.3° | 67.2° |
H4' | C4' | C5' | H5'A | 179.6° | 172.8° |
O5' | C5' | H5' | H5'A | 121.9° | 120.0° |
C5' | O5' | P | O3P | 171.0° | 55.0° |