777
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | C6 | doub | 1.22Å | 1.26Å | |
N1 | C6 | sing | 1.34Å | 1.34Å | |
N1 | C2 | doub | 1.32Å | 1.35Å | |
C6 | C5 | sing | 1.47Å | 1.47Å | |
N2 | C2 | sing | 1.37Å | 1.36Å | |
C2 | N3 | sing | 1.36Å | 1.36Å | |
C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
C5 | C4 | doub | 1.39Å | 1.46Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
N3 | C4 | sing | 1.37Å | 1.35Å | |
C4 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
N9 | C1' | sing | 1.47Å | 1.47Å | |
C1' | C2' | sing | 1.55Å | 1.52Å | |
C1' | O4' | sing | 1.44Å | 1.42Å | |
O2' | C2' | sing | 1.43Å | 1.43Å | |
C2' | C3' | sing | 1.55Å | 1.53Å | |
O4' | C4' | sing | 1.44Å | 1.43Å | |
C3' | C4' | sing | 1.54Å | 1.53Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
C4' | C5' | sing | 1.53Å | 1.52Å | |
C5' | O5' | sing | 1.43Å | 1.43Å | |
O5' | P1 | sing | 1.61Å | 1.61Å | |
O2 | P1 | doub | 1.48Å | 1.51Å | |
C1 | N4 | sing | 1.47Å | 1.46Å | |
C1 | C3 | sing | 1.53Å | 1.52Å | |
N4 | P1 | sing | 1.68Å | 1.72Å | |
P1 | O3 | sing | 1.61Å | 1.50Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
N4 | H6 | sing | 1.01Å | 1.00Å | |
O3 | H7 | sing | 0.97Å | 0.95Å | |
C5' | H8 | sing | 1.09Å | 1.10Å | |
C5' | H9 | sing | 1.09Å | 1.10Å | |
C4' | H10 | sing | 1.09Å | 1.10Å | |
C3' | H11 | sing | 1.09Å | 1.10Å | |
O3' | H12 | sing | 0.97Å | 0.95Å | |
C2' | H13 | sing | 1.09Å | 1.10Å | |
O2' | H14 | sing | 0.97Å | 0.95Å | |
C1' | H15 | sing | 1.09Å | 1.10Å | |
N3 | H16 | sing | 0.97Å | 1.00Å | |
N2 | H17 | sing | 0.97Å | 1.00Å | |
N2 | H18 | sing | 0.97Å | 1.00Å | |
C8 | H19 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | C6 | N1 | 123.6° | 120.7° |
O6 | C6 | C5 | 119.2° | 120.7° |
C6 | N1 | C2 | 123.5° | 121.3° |
N1 | C6 | C5 | 117.2° | 118.6° |
N1 | C2 | N2 | 119.1° | 118.8° |
N1 | C2 | N3 | 122.5° | 122.6° |
C6 | C5 | N7 | 135.6° | 134.4° |
C6 | C5 | C4 | 116.7° | 118.1° |
N2 | C2 | N3 | 118.4° | 118.7° |
C2 | N2 | H17 | 120.0° | 120.0° |
C2 | N2 | H18 | 120.0° | 120.0° |
C2 | N3 | C4 | 119.0° | 120.5° |
C2 | N3 | H16 | 120.5° | 119.8° |
N7 | C5 | C4 | 107.7° | 107.4° |
C5 | N7 | C8 | 107.0° | 109.1° |
C5 | C4 | N3 | 121.0° | 118.9° |
C5 | C4 | N9 | 105.0° | 106.4° |
N7 | C8 | N9 | 110.1° | 109.5° |
N7 | C8 | H19 | 125.0° | 125.2° |
N3 | C4 | N9 | 133.9° | 134.7° |
C4 | N3 | H16 | 120.5° | 119.7° |
C4 | N9 | C8 | 110.2° | 107.5° |
C4 | N9 | C1' | 122.8° | 126.3° |
C8 | N9 | C1' | 127.0° | 126.2° |
N9 | C8 | H19 | 125.0° | 125.2° |
N9 | C1' | C2' | 112.4° | 110.6° |
N9 | C1' | O4' | 107.8° | 110.7° |
N9 | C1' | H15 | 110.5° | 110.6° |
C2' | C1' | O4' | 105.0° | 103.5° |
C1' | C2' | O2' | 112.3° | 110.9° |
C1' | C2' | C3' | 102.2° | 102.0° |
C1' | C2' | H13 | 108.6° | 110.9° |
C2' | C1' | H15 | 109.8° | 110.6° |
C1' | O4' | C4' | 107.1° | 107.0° |
O4' | C1' | H15 | 111.3° | 110.6° |
O2' | C2' | C3' | 115.0° | 110.9° |
O2' | C2' | H13 | 109.8° | 110.8° |
C2' | O2' | H14 | 109.5° | 114.0° |
C2' | C3' | C4' | 104.5° | 104.2° |
C2' | C3' | O3' | 113.7° | 110.5° |
C2' | C3' | H11 | 108.8° | 110.6° |
C3' | C2' | H13 | 108.5° | 110.9° |
O4' | C4' | C3' | 107.0° | 107.4° |
O4' | C4' | C5' | 107.3° | 109.9° |
O4' | C4' | H10 | 110.9° | 109.9° |
C4' | C3' | O3' | 110.8° | 110.5° |
C3' | C4' | C5' | 112.6° | 109.9° |
C3' | C4' | H10 | 109.4° | 109.9° |
C4' | C3' | H11 | 108.9° | 110.5° |
O3' | C3' | H11 | 110.0° | 110.5° |
C3' | O3' | H12 | 109.5° | 114.0° |
C4' | C5' | O5' | 107.1° | 109.5° |
C4' | C5' | H8 | 110.1° | 109.5° |
C4' | C5' | H9 | 110.1° | 109.5° |
C5' | C4' | H10 | 109.6° | 109.9° |
C5' | O5' | P1 | 119.9° | 123.0° |
O5' | C5' | H8 | 110.1° | 109.5° |
O5' | C5' | H9 | 110.1° | 109.4° |
O5' | P1 | O2 | 109.7° | 109.5° |
O5' | P1 | N4 | 103.9° | 109.4° |
O5' | P1 | O3 | 105.0° | 109.5° |
O2 | P1 | N4 | 109.2° | 109.5° |
O2 | P1 | O3 | 118.6° | 109.5° |
N4 | C1 | C3 | 110.3° | 109.5° |
C1 | N4 | P1 | 118.7° | 111.0° |
N4 | C1 | H1 | 109.3° | 109.4° |
N4 | C1 | H2 | 109.3° | 109.5° |
C1 | N4 | H6 | 107.2° | 111.0° |
C3 | C1 | H1 | 109.3° | 109.5° |
C3 | C1 | H2 | 109.3° | 109.5° |
C1 | C3 | H3 | 109.5° | 109.5° |
C1 | C3 | H4 | 109.5° | 109.5° |
C1 | C3 | H5 | 109.5° | 109.5° |
N4 | P1 | O3 | 109.4° | 109.4° |
P1 | N4 | H6 | 107.1° | 111.0° |
P1 | O3 | H7 | 109.5° | 114.0° |
H1 | C1 | H2 | 109.4° | 109.5° |
H3 | C3 | H4 | 109.5° | 109.5° |
H3 | C3 | H5 | 109.5° | 109.4° |
H4 | C3 | H5 | 109.5° | 109.5° |
H8 | C5' | H9 | 109.4° | 109.4° |
H17 | N2 | H18 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | N1 | C5 | 178.8° | 180.0° |
O6 | C6 | N1 | C2 | 179.8° | 180.0° |
O6 | C6 | C5 | N7 | 1.2° | 0.2° |
O6 | C6 | C5 | C4 | 179.4° | 180.0° |
C6 | N1 | C2 | N2 | 179.9° | 180.0° |
C6 | N1 | C2 | N3 | 1.7° | 0.0° |
N1 | C6 | C5 | N7 | 180.0° | 179.8° |
N1 | C6 | C5 | C4 | 0.6° | 0.0° |
C2 | N1 | C6 | C5 | 1.0° | 0.0° |
N1 | C2 | N2 | N3 | 178.5° | 179.9° |
N1 | C2 | N3 | C4 | 1.9° | 0.1° |
N1 | C2 | N3 | H16 | 178.2° | 180.0° |
N1 | C2 | N2 | H17 | 0.0° | 179.9° |
N1 | C2 | N2 | H18 | 180.0° | 0.0° |
C6 | C5 | N7 | C4 | 179.4° | 179.8° |
C6 | C5 | N7 | C8 | 179.9° | 179.8° |
C6 | C5 | C4 | N3 | 0.8° | 0.0° |
C6 | C5 | C4 | N9 | 179.3° | 180.0° |
N2 | C2 | N3 | C4 | 179.7° | 180.0° |
N2 | C2 | N3 | H16 | 0.2° | 0.0° |
C2 | N2 | H17 | H18 | 180.0° | 179.9° |
C2 | N3 | C4 | C5 | 1.4° | 0.0° |
C2 | N3 | C4 | H16 | 180.0° | 180.0° |
C2 | N3 | C4 | N9 | 179.4° | 180.0° |
N3 | C2 | N2 | H17 | 178.5° | 0.0° |
N3 | C2 | N2 | H18 | 1.5° | 180.0° |
N7 | C5 | C4 | N3 | 179.6° | 179.8° |
N7 | C5 | C4 | N9 | 1.1° | 0.1° |
C5 | N7 | C8 | N9 | 0.1° | 0.1° |
C5 | N7 | C8 | H19 | 180.0° | 179.9° |
C4 | C5 | N7 | C8 | 0.6° | 0.0° |
C5 | C4 | N3 | N9 | 178.0° | 179.9° |
C5 | C4 | N9 | C8 | 1.2° | 0.2° |
C5 | C4 | N9 | C1' | 179.6° | 180.0° |
C5 | C4 | N3 | H16 | 178.6° | 180.0° |
N7 | C8 | N9 | C4 | 0.8° | 0.2° |
N7 | C8 | N9 | H19 | 180.0° | 180.0° |
N7 | C8 | N9 | C1' | 179.2° | 180.0° |
N3 | C4 | N9 | C8 | 179.4° | 179.7° |
N3 | C4 | N9 | C1' | 2.1° | 0.0° |
C4 | N9 | C8 | C1' | 178.4° | 179.7° |
C4 | N9 | C1' | C2' | 135.5° | 85.0° |
C4 | N9 | C1' | O4' | 109.3° | 160.9° |
C4 | N9 | C1' | H15 | 12.5° | 38.0° |
N9 | C4 | N3 | H16 | 0.6° | 0.1° |
C4 | N9 | C8 | H19 | 179.2° | 179.8° |
C8 | N9 | C1' | C2' | 46.3° | 95.3° |
C8 | N9 | C1' | O4' | 68.9° | 18.8° |
C8 | N9 | C1' | H15 | 169.3° | 141.7° |
N9 | C1' | C2' | O4' | 116.9° | 118.6° |
N9 | C1' | C2' | H15 | 123.4° | 122.9° |
N9 | C1' | O4' | H15 | 121.3° | 123.0° |
N9 | C1' | C2' | O2' | 84.1° | 86.2° |
N9 | C1' | C2' | C3' | 152.1° | 155.6° |
N9 | C1' | O4' | C4' | 158.2° | 158.4° |
N9 | C1' | C2' | H13 | 37.6° | 37.4° |
C1' | N9 | C8 | H19 | 0.8° | 0.0° |
C2' | C1' | O4' | H15 | 118.7° | 118.5° |
C1' | C2' | O2' | C3' | 116.3° | 112.6° |
C1' | C2' | O2' | H13 | 121.0° | 123.7° |
C1' | C2' | C3' | H13 | 114.6° | 118.2° |
C2' | C1' | O4' | C4' | 38.2° | 39.9° |
C1' | C2' | C3' | C4' | 19.5° | 20.9° |
C1' | C2' | C3' | O3' | 101.4° | 97.8° |
C1' | C2' | C3' | H11 | 135.6° | 139.6° |
C1' | C2' | O2' | H14 | 180.0° | 174.1° |
O4' | C1' | C2' | O2' | 159.0° | 155.1° |
O4' | C1' | C2' | C3' | 35.2° | 37.0° |
C1' | O4' | C4' | C3' | 25.1° | 26.4° |
C1' | O4' | C4' | C5' | 146.2° | 145.9° |
C1' | O4' | C4' | H10 | 94.2° | 93.0° |
O4' | C1' | C2' | H13 | 79.4° | 81.2° |
O2' | C2' | C3' | H13 | 123.4° | 123.6° |
O2' | C2' | C3' | C4' | 141.4° | 139.1° |
O2' | C2' | C3' | O3' | 20.5° | 20.4° |
O2' | C2' | C3' | H11 | 102.4° | 102.2° |
O2' | C2' | C1' | H15 | 39.3° | 36.7° |
C2' | C3' | C4' | O4' | 2.1° | 1.9° |
C2' | C3' | C4' | O3' | 122.8° | 118.7° |
C2' | C3' | C4' | H11 | 116.1° | 118.8° |
C2' | C3' | O3' | H11 | 122.3° | 122.6° |
C2' | C3' | C4' | C5' | 119.8° | 121.4° |
C2' | C3' | C4' | H10 | 118.1° | 117.5° |
C2' | C3' | O3' | H12 | 180.0° | 65.2° |
C3' | C2' | O2' | H14 | 63.7° | 61.5° |
C3' | C2' | C1' | H15 | 84.5° | 81.5° |
O4' | C4' | C3' | C5' | 117.7° | 119.5° |
O4' | C4' | C3' | H10 | 120.2° | 119.5° |
O4' | C4' | C3' | O3' | 125.0° | 120.6° |
O4' | C4' | C5' | H10 | 120.5° | 121.0° |
O4' | C4' | C5' | O5' | 164.2° | 66.7° |
O4' | C4' | C5' | H8 | 76.2° | 53.3° |
O4' | C4' | C5' | H9 | 44.5° | 173.3° |
O4' | C4' | C3' | H11 | 113.9° | 116.9° |
C4' | O4' | C1' | H15 | 80.5° | 78.6° |
C4' | C3' | O3' | H11 | 120.4° | 122.6° |
C3' | C4' | C5' | H10 | 122.0° | 121.0° |
C3' | C4' | C5' | O5' | 78.3° | 175.3° |
C3' | C4' | C5' | H8 | 41.3° | 64.7° |
C3' | C4' | C5' | H9 | 162.1° | 55.3° |
C4' | C3' | O3' | H12 | 62.7° | 180.0° |
C4' | C3' | C2' | H13 | 95.2° | 97.3° |
O3' | C3' | C4' | C5' | 117.3° | 119.9° |
O3' | C3' | C4' | H10 | 4.8° | 1.1° |
O3' | C3' | C2' | H13 | 143.9° | 144.0° |
C4' | C5' | O5' | H8 | 119.6° | 120.1° |
C4' | C5' | O5' | H9 | 119.6° | 120.0° |
C4' | C5' | O5' | P1 | 157.7° | 180.0° |
C4' | C5' | H8 | H9 | 121.1° | 120.0° |
C5' | C4' | C3' | H11 | 3.7° | 2.7° |
C5' | O5' | P1 | O2 | 36.4° | 49.9° |
C5' | O5' | P1 | N4 | 80.3° | 70.1° |
C5' | O5' | P1 | O3 | 164.8° | 170.0° |
O5' | C5' | H8 | H9 | 121.1° | 120.0° |
O5' | C5' | C4' | H10 | 43.7° | 54.3° |
O5' | P1 | O2 | N4 | 113.2° | 120.0° |
O5' | P1 | O2 | O3 | 120.6° | 120.0° |
O5' | P1 | N4 | C1 | 43.6° | 60.0° |
O5' | P1 | N4 | O3 | 111.7° | 120.0° |
O5' | P1 | N4 | H6 | 164.9° | 176.0° |
O5' | P1 | O3 | H7 | 123.0° | 59.9° |
P1 | O5' | C5' | H8 | 38.1° | 59.9° |
P1 | O5' | C5' | H9 | 82.6° | 60.0° |
O2 | P1 | N4 | C1 | 160.6° | 180.0° |
O2 | P1 | N4 | O3 | 131.3° | 120.0° |
O2 | P1 | N4 | H6 | 78.1° | 56.0° |
O2 | P1 | O3 | H7 | 0.0° | 180.0° |
N4 | C1 | C3 | H1 | 120.2° | 119.9° |
N4 | C1 | C3 | H2 | 120.2° | 120.0° |
C1 | N4 | P1 | H6 | 121.3° | 124.0° |
C1 | N4 | P1 | O3 | 68.2° | 60.0° |
N4 | C1 | H1 | H2 | 119.6° | 120.0° |
N4 | C1 | C3 | H3 | 180.0° | 60.0° |
N4 | C1 | C3 | H4 | 60.0° | 60.0° |
N4 | C1 | C3 | H5 | 60.0° | 180.0° |
C3 | C1 | N4 | P1 | 105.0° | 135.0° |
C3 | C1 | H1 | H2 | 119.6° | 120.0° |
C1 | C3 | H3 | H4 | 120.0° | 120.0° |
C1 | C3 | H3 | H5 | 120.0° | 120.0° |
C1 | C3 | H4 | H5 | 120.0° | 120.0° |
C3 | C1 | N4 | H6 | 16.3° | 101.0° |
P1 | N4 | C1 | H1 | 15.2° | 15.0° |
P1 | N4 | C1 | H2 | 134.9° | 105.0° |
N4 | P1 | O3 | H7 | 126.0° | 60.0° |
O3 | P1 | N4 | H6 | 53.2° | 64.0° |
H1 | C1 | C3 | H3 | 59.9° | 60.0° |
H1 | C1 | C3 | H4 | 179.8° | 180.0° |
H1 | C1 | C3 | H5 | 60.2° | 60.0° |
H1 | C1 | N4 | H6 | 136.5° | 139.0° |
H2 | C1 | C3 | H3 | 59.8° | 180.0° |
H2 | C1 | C3 | H4 | 60.1° | 60.0° |
H2 | C1 | C3 | H5 | 179.9° | 60.0° |
H2 | C1 | N4 | H6 | 103.8° | 19.0° |
H3 | C3 | H4 | H5 | 120.0° | 119.9° |
H8 | C5' | C4' | H10 | 163.4° | 174.3° |
H9 | C5' | C4' | H10 | 75.9° | 65.7° |
H10 | C4' | C3' | H11 | 125.8° | 123.7° |
H11 | C3' | O3' | H12 | 57.7° | 57.4° |
H11 | C3' | C2' | H13 | 21.0° | 21.4° |
H13 | C2' | O2' | H14 | 59.0° | 62.2° |
H13 | C2' | C1' | H15 | 161.0° | 160.3° |