9L8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | C3' | sing | 1.43Å | 1.48Å | |
O4' | C4' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.53Å | 1.47Å | |
C3' | C2' | sing | 1.53Å | 1.51Å | |
C4' | C5' | sing | 1.53Å | 1.56Å | |
N2' | C2' | sing | 1.47Å | 1.51Å | |
C2' | C1' | sing | 1.53Å | 1.55Å | |
O6' | C6' | sing | 1.43Å | 1.40Å | |
C5' | C6' | sing | 1.53Å | 1.55Å | |
C5' | O5' | sing | 1.43Å | 1.45Å | |
C1' | O5' | sing | 1.43Å | 1.46Å | |
C1' | C1 | sing | 1.51Å | 1.51Å | |
N2 | C1 | sing | 1.34Å | 1.32Å | Aromatic |
N2 | N3 | sing | 1.41Å | 1.33Å | Aromatic |
C1 | N5 | doub | 1.31Å | 1.34Å | Aromatic |
N3 | C4 | doub | 1.32Å | 1.32Å | Aromatic |
N5 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
C4 | C6 | sing | 1.48Å | 1.55Å | |
C6 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
C6 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
C7 | C8 | sing | 1.40Å | 1.43Å | Aromatic |
C11 | C10 | doub | 1.36Å | 1.42Å | Aromatic |
C8 | C12 | doub | 1.41Å | 1.44Å | Aromatic |
C8 | C9 | sing | 1.42Å | 1.40Å | Aromatic |
C12 | C13 | sing | 1.36Å | 1.41Å | Aromatic |
C10 | C9 | sing | 1.41Å | 1.44Å | Aromatic |
C9 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
C13 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
C15 | C14 | sing | 1.36Å | 1.41Å | Aromatic |
N2' | H1 | sing | 1.01Å | 1.00Å | |
N2' | H2 | sing | 1.01Å | 1.00Å | |
C2' | H4 | sing | 1.09Å | 1.10Å | |
C3' | H5 | sing | 1.09Å | 1.10Å | |
O3' | H6 | sing | 0.97Å | 0.95Å | |
C4' | H7 | sing | 1.09Å | 1.10Å | |
O4' | H8 | sing | 0.97Å | 0.95Å | |
C5' | H9 | sing | 1.09Å | 1.10Å | |
C6' | H10 | sing | 1.09Å | 1.10Å | |
C6' | H11 | sing | 1.09Å | 1.10Å | |
O6' | H12 | sing | 0.97Å | 0.95Å | |
C1' | H13 | sing | 1.09Å | 1.10Å | |
C7 | H15 | sing | 1.08Å | 1.08Å | |
C15 | H16 | sing | 1.08Å | 1.08Å | |
C14 | H17 | sing | 1.08Å | 1.08Å | |
C13 | H18 | sing | 1.08Å | 1.08Å | |
C12 | H19 | sing | 1.08Å | 1.08Å | |
C10 | H20 | sing | 1.08Å | 1.08Å | |
C11 | H21 | sing | 1.08Å | 1.08Å | |
N2 | H3 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C4' | 110.0° | 109.6° |
O3' | C3' | C2' | 113.8° | 109.5° |
O3' | C3' | H5 | 107.3° | 109.6° |
C3' | O3' | H6 | 109.5° | 114.0° |
O4' | C4' | C3' | 104.4° | 109.5° |
O4' | C4' | C5' | 108.0° | 109.5° |
O4' | C4' | H7 | 111.1° | 109.5° |
C4' | O4' | H8 | 109.5° | 114.0° |
C4' | C3' | C2' | 111.0° | 109.0° |
C3' | C4' | C5' | 113.5° | 109.2° |
C4' | C3' | H5 | 107.4° | 109.5° |
C3' | C4' | H7 | 110.5° | 109.5° |
C3' | C2' | N2' | 111.8° | 109.5° |
C3' | C2' | C1' | 109.6° | 109.2° |
C3' | C2' | H4 | 109.1° | 109.6° |
C2' | C3' | H5 | 106.9° | 109.5° |
C4' | C5' | C6' | 114.8° | 109.5° |
C4' | C5' | O5' | 110.9° | 109.4° |
C5' | C4' | H7 | 109.3° | 109.5° |
C4' | C5' | H9 | 108.3° | 109.5° |
N2' | C2' | C1' | 108.4° | 109.5° |
C2' | N2' | H1 | 109.5° | 111.0° |
C2' | N2' | H2 | 109.5° | 111.0° |
N2' | C2' | H4 | 109.2° | 109.5° |
C2' | C1' | O5' | 114.2° | 109.4° |
C2' | C1' | C1 | 112.0° | 109.5° |
C1' | C2' | H4 | 108.6° | 109.5° |
C2' | C1' | H13 | 107.3° | 109.5° |
O6' | C6' | C5' | 113.0° | 109.5° |
O6' | C6' | H10 | 108.6° | 109.5° |
O6' | C6' | H11 | 108.6° | 109.4° |
C6' | O6' | H12 | 109.5° | 114.0° |
C6' | C5' | O5' | 104.5° | 109.5° |
C6' | C5' | H9 | 108.5° | 109.4° |
C5' | C6' | H10 | 108.6° | 109.5° |
C5' | C6' | H11 | 108.6° | 109.5° |
C5' | O5' | C1' | 112.8° | 114.1° |
O5' | C5' | H9 | 109.7° | 109.5° |
O5' | C1' | C1 | 106.9° | 109.5° |
O5' | C1' | H13 | 108.4° | 109.5° |
C1' | C1 | N2 | 126.9° | 125.9° |
C1' | C1 | N5 | 125.0° | 125.8° |
C1 | C1' | H13 | 107.8° | 109.4° |
C1 | N2 | N3 | 107.9° | 106.6° |
N2 | C1 | N5 | 108.0° | 108.3° |
C1 | N2 | H3 | 126.1° | 126.7° |
N2 | N3 | C4 | 109.1° | 106.7° |
N3 | N2 | H3 | 126.1° | 126.7° |
C1 | N5 | C4 | 108.0° | 109.7° |
N3 | C4 | N5 | 106.8° | 108.7° |
N3 | C4 | C6 | 124.5° | 125.6° |
N5 | C4 | C6 | 128.4° | 125.6° |
C4 | C6 | C7 | 117.9° | 119.7° |
C4 | C6 | C11 | 120.6° | 119.7° |
C7 | C6 | C11 | 121.4° | 120.6° |
C6 | C7 | C8 | 118.7° | 119.5° |
C6 | C7 | H15 | 120.6° | 120.3° |
C6 | C11 | C10 | 120.0° | 120.9° |
C6 | C11 | H21 | 120.0° | 119.5° |
C7 | C8 | C12 | 118.9° | 121.2° |
C7 | C8 | C9 | 120.2° | 119.5° |
C8 | C7 | H15 | 120.6° | 120.3° |
C11 | C10 | C9 | 118.5° | 120.0° |
C11 | C10 | H20 | 120.8° | 120.0° |
C10 | C11 | H21 | 120.0° | 119.6° |
C12 | C8 | C9 | 120.9° | 119.4° |
C8 | C12 | C13 | 119.6° | 119.7° |
C8 | C12 | H19 | 120.2° | 120.2° |
C8 | C9 | C10 | 121.1° | 119.6° |
C8 | C9 | C15 | 119.4° | 119.3° |
C12 | C13 | C14 | 118.5° | 120.9° |
C12 | C13 | H18 | 120.7° | 119.5° |
C13 | C12 | H19 | 120.2° | 120.2° |
C10 | C9 | C15 | 119.4° | 121.1° |
C9 | C10 | H20 | 120.7° | 120.0° |
C9 | C15 | C14 | 119.2° | 119.8° |
C9 | C15 | H16 | 120.4° | 120.1° |
C13 | C14 | C15 | 122.4° | 121.0° |
C13 | C14 | H17 | 118.8° | 119.5° |
C14 | C13 | H18 | 120.7° | 119.5° |
C14 | C15 | H16 | 120.4° | 120.1° |
C15 | C14 | H17 | 118.8° | 119.5° |
H1 | N2' | H2 | 109.5° | 111.0° |
H10 | C6' | H11 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C4' | O4' | 61.5° | 63.2° |
O3' | C3' | C4' | C2' | 126.9° | 119.9° |
O3' | C3' | C4' | H5 | 116.5° | 120.3° |
O3' | C3' | C2' | H5 | 118.4° | 120.2° |
O3' | C3' | C4' | C5' | 178.8° | 176.8° |
O3' | C3' | C2' | N2' | 62.5° | 63.2° |
O3' | C3' | C2' | C1' | 177.2° | 176.9° |
O3' | C3' | C2' | H4 | 58.4° | 56.9° |
O3' | C3' | C4' | H7 | 58.0° | 56.9° |
O4' | C4' | C3' | C5' | 117.3° | 119.9° |
O4' | C4' | C3' | H7 | 119.5° | 120.1° |
O4' | C4' | C3' | C2' | 171.6° | 176.9° |
O4' | C4' | C5' | H7 | 121.0° | 120.1° |
O4' | C4' | C5' | C6' | 73.2° | 62.5° |
O4' | C4' | C5' | O5' | 168.7° | 177.5° |
O4' | C4' | C3' | H5 | 55.0° | 57.0° |
O4' | C4' | C5' | H9 | 48.2° | 57.5° |
C4' | C3' | C2' | H5 | 116.9° | 119.9° |
C3' | C4' | C5' | H7 | 123.8° | 119.9° |
C4' | C3' | C2' | N2' | 172.7° | 176.9° |
C4' | C3' | C2' | C1' | 52.5° | 57.0° |
C3' | C4' | C5' | C6' | 171.6° | 177.6° |
C3' | C4' | C5' | O5' | 53.5° | 57.6° |
C4' | C3' | C2' | H4 | 66.4° | 63.0° |
C4' | C3' | O3' | H6 | 180.0° | 60.0° |
C3' | C4' | O4' | H8 | 180.0° | 180.0° |
C3' | C4' | C5' | H9 | 67.0° | 62.4° |
C2' | C3' | C4' | C5' | 54.3° | 57.0° |
C3' | C2' | N2' | C1' | 121.0° | 119.7° |
C3' | C2' | N2' | H4 | 120.8° | 120.2° |
C3' | C2' | C1' | H4 | 119.1° | 120.0° |
C3' | C2' | C1' | O5' | 53.0° | 57.6° |
C3' | C2' | C1' | C1 | 174.8° | 177.6° |
C3' | C2' | N2' | H1 | 180.0° | 60.4° |
C3' | C2' | N2' | H2 | 60.0° | 63.6° |
C2' | C3' | O3' | H6 | 54.7° | 179.6° |
C2' | C3' | C4' | H7 | 68.9° | 63.0° |
C3' | C2' | C1' | H13 | 67.1° | 62.4° |
C4' | C5' | C6' | O6' | 44.9° | 175.0° |
C4' | C5' | C6' | O5' | 121.7° | 120.0° |
C4' | C5' | C6' | H9 | 121.3° | 120.0° |
C4' | C5' | O5' | H9 | 119.6° | 120.0° |
C4' | C5' | O5' | C1' | 51.9° | 61.1° |
C5' | C4' | C3' | H5 | 62.4° | 62.9° |
C5' | C4' | O4' | H8 | 59.0° | 60.3° |
C4' | C5' | C6' | H10 | 75.6° | 55.0° |
C4' | C5' | C6' | H11 | 165.4° | 65.0° |
N2' | C2' | C1' | H4 | 118.5° | 120.1° |
N2' | C2' | C1' | O5' | 175.3° | 177.5° |
N2' | C2' | C1' | C1 | 62.9° | 62.5° |
C2' | N2' | H1 | H2 | 120.0° | 124.0° |
N2' | C2' | C3' | H5 | 55.8° | 57.0° |
N2' | C2' | C1' | H13 | 55.2° | 57.5° |
C2' | C1' | O5' | C5' | 53.9° | 61.2° |
C2' | C1' | O5' | C1 | 124.5° | 120.0° |
C2' | C1' | O5' | H13 | 119.5° | 120.0° |
C2' | C1' | C1 | H13 | 117.8° | 120.1° |
C2' | C1' | C1 | N2 | 39.4° | 124.7° |
C2' | C1' | C1 | N5 | 143.4° | 55.0° |
C1' | C2' | N2' | H1 | 59.0° | 180.0° |
C1' | C2' | N2' | H2 | 179.0° | 56.0° |
C1' | C2' | C3' | H5 | 64.5° | 62.9° |
O6' | C6' | C5' | H10 | 120.5° | 120.0° |
O6' | C6' | C5' | H11 | 120.5° | 120.0° |
O6' | C6' | C5' | O5' | 76.8° | 65.0° |
O6' | C6' | C5' | H9 | 166.2° | 55.0° |
O6' | C6' | H10 | H11 | 118.4° | 119.9° |
C6' | C5' | O5' | H9 | 116.1° | 120.0° |
C6' | C5' | O5' | C1' | 176.1° | 178.9° |
C6' | C5' | C4' | H7 | 47.8° | 57.7° |
C5' | C6' | H10 | H11 | 118.4° | 120.0° |
C5' | C6' | O6' | H12 | 180.0° | 180.0° |
C5' | O5' | C1' | C1 | 178.5° | 178.8° |
O5' | C5' | C4' | H7 | 70.4° | 62.4° |
O5' | C5' | C6' | H10 | 162.7° | 174.9° |
O5' | C5' | C6' | H11 | 43.7° | 54.9° |
C5' | O5' | C1' | H13 | 65.6° | 58.9° |
O5' | C1' | C1 | H13 | 116.4° | 120.0° |
O5' | C1' | C1 | N2 | 86.4° | 115.3° |
O5' | C1' | C1 | N5 | 90.8° | 65.0° |
O5' | C1' | C2' | H4 | 66.1° | 62.4° |
C1' | O5' | C5' | H9 | 67.8° | 58.9° |
C1' | C1 | N2 | N5 | 177.6° | 179.8° |
C1' | C1 | N2 | N3 | 178.8° | 179.9° |
C1' | C1 | N5 | C4 | 178.9° | 180.0° |
C1 | C1' | C2' | H4 | 55.7° | 57.6° |
C1' | C1 | N2 | H3 | 1.2° | 0.0° |
C1 | N2 | N3 | H3 | 180.0° | 179.9° |
C1 | N2 | N3 | C4 | 1.6° | 0.4° |
N2 | C1 | N5 | C4 | 3.5° | 0.3° |
N2 | C1 | C1' | H13 | 157.2° | 4.7° |
N3 | N2 | C1 | N5 | 1.2° | 0.4° |
N2 | N3 | C4 | N5 | 3.7° | 0.2° |
N2 | N3 | C4 | C6 | 178.2° | 179.7° |
C1 | N5 | C4 | N3 | 4.4° | 0.0° |
C1 | N5 | C4 | C6 | 178.6° | 179.9° |
N5 | C1 | C1' | H13 | 25.6° | 175.1° |
N5 | C1 | N2 | H3 | 178.8° | 179.7° |
N3 | C4 | N5 | C6 | 174.2° | 179.9° |
N3 | C4 | C6 | C7 | 10.9° | 0.1° |
N3 | C4 | C6 | C11 | 164.9° | 179.8° |
C4 | N3 | N2 | H3 | 178.4° | 179.7° |
N5 | C4 | C6 | C7 | 175.8° | 180.0° |
N5 | C4 | C6 | C11 | 8.5° | 0.3° |
C4 | C6 | C7 | C11 | 175.8° | 179.7° |
C4 | C6 | C7 | C8 | 177.5° | 180.0° |
C4 | C6 | C11 | C10 | 176.8° | 179.7° |
C4 | C6 | C7 | H15 | 2.5° | 0.0° |
C4 | C6 | C11 | H21 | 3.2° | 0.0° |
C6 | C7 | C8 | H15 | 180.0° | 180.0° |
C7 | C6 | C11 | C10 | 1.2° | 0.6° |
C6 | C7 | C8 | C12 | 179.0° | 180.0° |
C6 | C7 | C8 | C9 | 1.6° | 0.0° |
C7 | C6 | C11 | H21 | 178.8° | 179.7° |
C11 | C6 | C7 | C8 | 1.7° | 0.3° |
C6 | C11 | C10 | H21 | 180.0° | 179.7° |
C6 | C11 | C10 | C9 | 0.4° | 0.6° |
C11 | C6 | C7 | H15 | 178.2° | 179.7° |
C6 | C11 | C10 | H20 | 179.6° | 179.7° |
C7 | C8 | C12 | C9 | 179.4° | 180.0° |
C7 | C8 | C12 | C13 | 179.5° | 180.0° |
C7 | C8 | C9 | C10 | 0.9° | 0.0° |
C7 | C8 | C9 | C15 | 179.8° | 180.0° |
C7 | C8 | C12 | H19 | 0.5° | 0.0° |
C11 | C10 | C9 | C8 | 0.3° | 0.3° |
C11 | C10 | C9 | H20 | 180.0° | 179.8° |
C11 | C10 | C9 | C15 | 179.6° | 179.7° |
C8 | C12 | C13 | H19 | 180.0° | 180.0° |
C12 | C8 | C9 | C10 | 179.7° | 180.0° |
C12 | C8 | C9 | C15 | 0.4° | 0.0° |
C8 | C12 | C13 | C14 | 0.2° | 0.0° |
C12 | C8 | C7 | H15 | 1.0° | 0.0° |
C8 | C12 | C13 | H18 | 179.8° | 180.0° |
C9 | C8 | C12 | C13 | 0.1° | 0.0° |
C8 | C9 | C10 | C15 | 179.3° | 180.0° |
C8 | C9 | C15 | C14 | 0.3° | 0.0° |
C9 | C8 | C7 | H15 | 178.4° | 180.0° |
C8 | C9 | C15 | H16 | 179.7° | 180.0° |
C9 | C8 | C12 | H19 | 179.9° | 180.0° |
C8 | C9 | C10 | H20 | 179.7° | 180.0° |
C12 | C13 | C14 | H18 | 180.0° | 180.0° |
C12 | C13 | C14 | C15 | 0.2° | 0.0° |
C12 | C13 | C14 | H17 | 179.8° | 180.0° |
C10 | C9 | C15 | C14 | 179.7° | 180.0° |
C10 | C9 | C15 | H16 | 0.4° | 0.0° |
C9 | C10 | C11 | H21 | 179.6° | 179.7° |
C9 | C15 | C14 | C13 | 0.0° | 0.0° |
C9 | C15 | C14 | H16 | 180.0° | 180.0° |
C9 | C15 | C14 | H17 | 180.0° | 180.0° |
C15 | C9 | C10 | H20 | 0.4° | 0.1° |
C13 | C14 | C15 | H17 | 180.0° | 180.0° |
C13 | C14 | C15 | H16 | 180.0° | 180.0° |
C14 | C13 | C12 | H19 | 179.8° | 180.0° |
C15 | C14 | C13 | H18 | 179.8° | 180.0° |
H1 | N2' | C2' | H4 | 59.1° | 59.9° |
H2 | N2' | C2' | H4 | 60.9° | 176.1° |
H4 | C2' | C3' | H5 | 176.7° | 177.1° |
H4 | C2' | C1' | H13 | 173.7° | 177.6° |
H5 | C3' | O3' | H6 | 63.4° | 60.2° |
H5 | C3' | C4' | H7 | 174.5° | 177.2° |
H7 | C4' | O4' | H8 | 60.9° | 59.8° |
H7 | C4' | C5' | H9 | 169.2° | 177.6° |
H9 | C5' | C6' | H10 | 45.7° | 65.0° |
H9 | C5' | C6' | H11 | 73.3° | 175.0° |
H10 | C6' | O6' | H12 | 59.5° | 60.0° |
H11 | C6' | O6' | H12 | 59.4° | 60.0° |
H16 | C15 | C14 | H17 | 0.0° | 0.0° |
H17 | C14 | C13 | H18 | 0.2° | 0.0° |
H18 | C13 | C12 | H19 | 0.2° | 0.0° |
H20 | C10 | C11 | H21 | 0.4° | 0.0° |