X6H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | C6 | doub | 1.22Å | 1.25Å | |
C6 | N1 | sing | 1.35Å | 1.36Å | |
C6 | C5 | sing | 1.41Å | 1.48Å | |
C8A | N1 | sing | 1.38Å | 1.36Å | |
C8A | C7A | doub | 1.35Å | 1.40Å | |
P | OP1 | doub | 1.48Å | 1.51Å | |
P | OP3 | sing | 1.61Å | 1.51Å | |
P | O5' | sing | 1.61Å | 1.60Å | |
N7 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.37Å | Aromatic |
N1 | C2 | sing | 1.37Å | 1.39Å | |
C7A | C6A | sing | 1.42Å | 1.39Å | |
C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
C5' | O5' | sing | 1.43Å | 1.42Å | |
C5' | C4' | sing | 1.53Å | 1.52Å | |
C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.33Å | |
C2 | N2 | sing | 1.38Å | 1.35Å | |
C4 | N9 | sing | 1.37Å | 1.31Å | Aromatic |
C4 | N3 | sing | 1.34Å | 1.34Å | |
C6A | N2 | sing | 1.35Å | 1.34Å | |
C6A | O6A | doub | 1.22Å | 1.26Å | |
N9 | C1' | sing | 1.46Å | 1.48Å | |
O4' | C4' | sing | 1.44Å | 1.42Å | |
O4' | C1' | sing | 1.44Å | 1.44Å | |
C4' | C3' | sing | 1.55Å | 1.51Å | |
C1' | C2' | sing | 1.54Å | 1.52Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
P | OP2 | sing | 1.61Å | 1.60Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C2' | H2'' | sing | 1.09Å | 1.10Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'' | sing | 1.09Å | 1.10Å | |
C7A | H1 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C8A | H10 | sing | 1.08Å | 1.08Å | |
N2 | H21 | sing | 0.97Å | 1.00Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | C6 | N1 | 121.5° | 120.7° |
O6 | C6 | C5 | 120.9° | 120.7° |
N1 | C6 | C5 | 117.6° | 118.5° |
C6 | N1 | C8A | 121.6° | 119.1° |
C6 | N1 | C2 | 121.0° | 120.4° |
C6 | C5 | N7 | 137.5° | 134.2° |
C6 | C5 | C4 | 116.7° | 118.5° |
N1 | C8A | C7A | 118.4° | 120.1° |
C8A | N1 | C2 | 117.5° | 120.4° |
N1 | C8A | H10 | 120.8° | 120.0° |
C8A | C7A | C6A | 122.7° | 119.6° |
C8A | C7A | H1 | 118.7° | 120.2° |
C7A | C8A | H10 | 120.8° | 119.9° |
OP1 | P | OP3 | 110.8° | 109.4° |
OP1 | P | O5' | 111.8° | 109.5° |
OP1 | P | OP2 | 111.8° | 109.5° |
OP3 | P | O5' | 109.9° | 109.5° |
OP3 | P | OP2 | 109.0° | 109.5° |
P | OP3 | HOP3 | 109.5° | 113.9° |
P | O5' | C5' | 120.2° | 123.0° |
O5' | P | OP2 | 103.2° | 109.5° |
C5 | N7 | C8 | 108.0° | 109.3° |
N7 | C5 | C4 | 105.7° | 107.3° |
N7 | C8 | N9 | 107.7° | 109.9° |
N7 | C8 | H8 | 126.1° | 125.1° |
N1 | C2 | N3 | 120.7° | 121.4° |
N1 | C2 | N2 | 123.8° | 119.9° |
C7A | C6A | N2 | 117.3° | 119.7° |
C7A | C6A | O6A | 122.4° | 120.2° |
C6A | C7A | H1 | 118.6° | 120.2° |
C5 | C4 | N9 | 110.2° | 106.0° |
C5 | C4 | N3 | 122.7° | 119.7° |
O5' | C5' | C4' | 109.2° | 109.5° |
O5' | C5' | H5' | 109.5° | 109.4° |
O5' | C5' | H5'' | 109.5° | 109.5° |
C5' | C4' | O4' | 111.0° | 110.7° |
C5' | C4' | C3' | 110.3° | 110.6° |
C5' | C4' | H4' | 109.8° | 110.6° |
C4' | C5' | H5' | 109.5° | 109.4° |
C4' | C5' | H5'' | 109.5° | 109.5° |
C8 | N9 | C4 | 108.3° | 107.5° |
C8 | N9 | C1' | 135.7° | 126.3° |
N9 | C8 | H8 | 126.1° | 125.0° |
N3 | C2 | N2 | 115.6° | 118.8° |
C2 | N3 | C4 | 121.3° | 121.5° |
C2 | N2 | C6A | 120.3° | 120.3° |
C2 | N2 | H21 | 119.8° | 119.8° |
N9 | C4 | N3 | 127.2° | 134.3° |
C4 | N9 | C1' | 115.9° | 126.2° |
N2 | C6A | O6A | 120.3° | 120.1° |
C6A | N2 | H21 | 119.8° | 119.9° |
N9 | C1' | O4' | 104.0° | 110.0° |
N9 | C1' | C2' | 118.4° | 109.9° |
N9 | C1' | H1' | 108.7° | 109.8° |
C4' | O4' | C1' | 110.2° | 107.0° |
O4' | C4' | C3' | 104.4° | 103.4° |
O4' | C4' | H4' | 111.2° | 110.7° |
O4' | C1' | C2' | 108.0° | 107.3° |
O4' | C1' | H1' | 109.2° | 109.9° |
C4' | C3' | C2' | 106.0° | 102.1° |
C4' | C3' | O3' | 103.1° | 110.9° |
C4' | C3' | H3' | 111.6° | 111.0° |
C3' | C4' | H4' | 110.0° | 110.6° |
C1' | C2' | C3' | 99.5° | 104.1° |
C2' | C1' | H1' | 108.2° | 109.9° |
C1' | C2' | H2' | 111.9° | 110.5° |
C1' | C2' | H2'' | 111.9° | 110.4° |
C2' | C3' | O3' | 111.3° | 110.9° |
C3' | C2' | H2' | 111.9° | 110.5° |
C3' | C2' | H2'' | 111.9° | 110.6° |
C2' | C3' | H3' | 111.4° | 110.9° |
O3' | C3' | H3' | 112.9° | 110.8° |
C3' | O3' | HO3' | 109.5° | 114.0° |
P | OP2 | HOP2 | 109.5° | 114.0° |
H2' | C2' | H2'' | 109.5° | 110.5° |
H5' | C5' | H5'' | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | C6 | N1 | C5 | 179.5° | 179.5° |
O6 | C6 | N1 | C8A | 0.6° | 0.0° |
O6 | C6 | C5 | N7 | 1.1° | 0.4° |
O6 | C6 | N1 | C2 | 179.6° | 180.0° |
O6 | C6 | C5 | C4 | 179.2° | 179.7° |
C6 | N1 | C8A | C2 | 179.9° | 180.0° |
C6 | N1 | C8A | C7A | 178.2° | 179.9° |
N1 | C6 | C5 | N7 | 179.4° | 179.9° |
N1 | C6 | C5 | C4 | 0.3° | 0.7° |
C6 | N1 | C2 | N3 | 0.1° | 0.0° |
C6 | N1 | C2 | N2 | 179.5° | 179.7° |
C6 | N1 | C8A | H10 | 1.8° | 0.1° |
C5 | C6 | N1 | C8A | 179.9° | 179.5° |
C6 | C5 | N7 | C4 | 179.6° | 179.4° |
C6 | C5 | N7 | C8 | 179.8° | 179.4° |
C5 | C6 | N1 | C2 | 0.0° | 0.5° |
C6 | C5 | C4 | N9 | 179.4° | 179.5° |
C6 | C5 | C4 | N3 | 0.6° | 0.5° |
N1 | C8A | C7A | H10 | 180.0° | 180.0° |
N1 | C8A | C7A | C6A | 3.2° | 0.4° |
C8A | N1 | C2 | N3 | 179.9° | 180.0° |
C8A | N1 | C2 | N2 | 0.6° | 0.3° |
N1 | C8A | C7A | H1 | 176.8° | 180.0° |
C7A | C8A | N1 | C2 | 1.9° | 0.1° |
C8A | C7A | C6A | H1 | 180.0° | 179.6° |
C8A | C7A | C6A | N2 | 3.0° | 0.3° |
C8A | C7A | C6A | O6A | 178.5° | 179.7° |
OP1 | P | OP3 | O5' | 124.0° | 120.0° |
OP1 | P | OP3 | OP2 | 123.5° | 120.0° |
OP1 | P | O5' | OP2 | 120.3° | 120.1° |
OP1 | P | O5' | C5' | 172.9° | 54.9° |
OP1 | P | OP3 | HOP3 | 0.0° | 180.0° |
OP1 | P | OP2 | HOP2 | 0.0° | 60.0° |
OP3 | P | O5' | OP2 | 116.2° | 120.0° |
OP3 | P | O5' | C5' | 63.7° | 65.0° |
OP3 | P | OP2 | HOP2 | 122.9° | 60.0° |
P | O5' | C5' | C4' | 163.5° | 180.0° |
P | O5' | C5' | H5' | 43.5° | 60.0° |
P | O5' | C5' | H5'' | 76.6° | 60.0° |
O5' | P | OP3 | HOP3 | 124.0° | 60.0° |
O5' | P | OP2 | HOP2 | 120.3° | 180.0° |
C5 | N7 | C8 | N9 | 0.6° | 0.0° |
N7 | C5 | C4 | N9 | 0.4° | 0.0° |
N7 | C5 | C4 | N3 | 179.1° | 180.0° |
C5 | N7 | C8 | H8 | 179.4° | 179.9° |
C8 | N7 | C5 | C4 | 0.2° | 0.0° |
N7 | C8 | N9 | H8 | 180.0° | 179.9° |
N7 | C8 | N9 | C4 | 0.8° | 0.0° |
N7 | C8 | N9 | C1' | 178.1° | 179.9° |
N1 | C2 | N3 | N2 | 179.5° | 179.7° |
N1 | C2 | N3 | C4 | 0.2° | 0.3° |
N1 | C2 | N2 | C6A | 0.4° | 0.3° |
C2 | N1 | C8A | H10 | 178.1° | 179.9° |
N1 | C2 | N2 | H21 | 179.6° | 179.7° |
C7A | C6A | N2 | C2 | 1.6° | 0.0° |
C7A | C6A | N2 | O6A | 178.6° | 180.0° |
C6A | C7A | C8A | H10 | 176.8° | 179.6° |
C7A | C6A | N2 | H21 | 178.5° | 180.0° |
C5 | C4 | N9 | C8 | 0.8° | 0.0° |
C5 | C4 | N3 | C2 | 0.6° | 0.0° |
C5 | C4 | N9 | N3 | 178.7° | 180.0° |
C5 | C4 | N9 | C1' | 178.6° | 180.0° |
O5' | C5' | C4' | H5' | 120.0° | 120.0° |
O5' | C5' | C4' | H5'' | 120.0° | 120.1° |
O5' | C5' | C4' | O4' | 71.2° | 70.9° |
O5' | C5' | C4' | C3' | 44.1° | 175.0° |
C5' | O5' | P | OP2 | 52.5° | 175.0° |
O5' | C5' | C4' | H4' | 165.5° | 52.1° |
O5' | C5' | H5' | H5'' | 120.1° | 120.0° |
C5' | C4' | O4' | C3' | 118.9° | 118.5° |
C5' | C4' | O4' | H4' | 122.6° | 123.0° |
C5' | C4' | O4' | C1' | 107.0° | 158.6° |
C5' | C4' | C3' | H4' | 121.3° | 122.9° |
C5' | C4' | C3' | C2' | 89.9° | 155.7° |
C5' | C4' | C3' | O3' | 153.0° | 86.2° |
C5' | C4' | C3' | H3' | 31.6° | 37.4° |
C4' | C5' | H5' | H5'' | 120.1° | 120.0° |
C8 | N9 | C4 | C1' | 177.8° | 180.0° |
C8 | N9 | C4 | N3 | 179.5° | 180.0° |
C8 | N9 | C1' | O4' | 102.3° | 23.0° |
C8 | N9 | C1' | C2' | 17.5° | 95.0° |
C8 | N9 | C1' | H1' | 141.4° | 144.0° |
C2 | N3 | C4 | N9 | 179.2° | 180.0° |
N3 | C2 | N2 | C6A | 179.9° | 180.0° |
N3 | C2 | N2 | H21 | 0.1° | 0.0° |
N2 | C2 | N3 | C4 | 179.2° | 180.0° |
C2 | N2 | C6A | H21 | 180.0° | 180.0° |
C2 | N2 | C6A | O6A | 179.9° | 180.0° |
C4 | N9 | C1' | O4' | 74.8° | 157.1° |
C4 | N9 | C1' | C2' | 165.5° | 84.9° |
C4 | N9 | C1' | H1' | 41.5° | 36.0° |
C4 | N9 | C8 | H8 | 179.1° | 179.9° |
N3 | C4 | N9 | C1' | 2.7° | 0.1° |
N2 | C6A | C7A | H1 | 177.0° | 180.0° |
O6A | C6A | C7A | H1 | 1.5° | 0.1° |
O6A | C6A | N2 | H21 | 0.1° | 0.0° |
N9 | C1' | O4' | C4' | 136.9° | 146.1° |
N9 | C1' | O4' | C2' | 126.6° | 119.5° |
N9 | C1' | O4' | H1' | 115.9° | 121.0° |
N9 | C1' | C2' | H1' | 124.2° | 121.0° |
N9 | C1' | C2' | C3' | 144.8° | 121.6° |
N9 | C1' | C2' | H2' | 96.9° | 119.7° |
N9 | C1' | C2' | H2'' | 26.4° | 2.8° |
C1' | N9 | C8 | H8 | 1.9° | 0.0° |
O4' | C4' | C3' | H4' | 119.4° | 118.5° |
C4' | O4' | C1' | C2' | 10.3° | 26.5° |
O4' | C4' | C3' | C2' | 29.5° | 37.1° |
O4' | C4' | C3' | O3' | 87.6° | 155.2° |
C4' | O4' | C1' | H1' | 107.2° | 92.9° |
O4' | C4' | C3' | H3' | 150.9° | 81.1° |
O4' | C4' | C5' | H5' | 168.9° | 169.1° |
O4' | C4' | C5' | H5'' | 48.8° | 49.2° |
C1' | O4' | C4' | C3' | 11.8° | 40.1° |
O4' | C1' | C2' | H1' | 118.1° | 119.4° |
O4' | C1' | C2' | C3' | 27.1° | 2.0° |
O4' | C1' | C2' | H2' | 145.5° | 120.7° |
O4' | C1' | C2' | H2'' | 91.2° | 116.7° |
C1' | O4' | C4' | H4' | 130.4° | 78.4° |
C4' | C3' | C2' | C1' | 34.1° | 20.9° |
C4' | C3' | C2' | O3' | 111.4° | 118.2° |
C4' | C3' | C2' | H3' | 121.6° | 118.3° |
C4' | C3' | O3' | H3' | 120.6° | 123.7° |
C4' | C3' | C2' | H2' | 152.5° | 97.7° |
C4' | C3' | C2' | H2'' | 84.3° | 139.6° |
C3' | C4' | C5' | H5' | 75.9° | 55.1° |
C3' | C4' | C5' | H5'' | 164.1° | 64.9° |
C4' | C3' | O3' | HO3' | 180.0° | 174.1° |
C1' | C2' | C3' | H2' | 118.4° | 118.6° |
C1' | C2' | C3' | H2'' | 118.4° | 118.7° |
C1' | C2' | C3' | O3' | 77.4° | 139.1° |
C1' | C2' | H2' | H2'' | 124.6° | 122.5° |
C1' | C2' | C3' | H3' | 155.7° | 97.3° |
C2' | C3' | O3' | H3' | 126.2° | 123.6° |
C3' | C2' | C1' | H1' | 91.0° | 117.4° |
C3' | C2' | H2' | H2'' | 124.6° | 122.8° |
C2' | C3' | C4' | H4' | 148.9° | 81.5° |
C2' | C3' | O3' | HO3' | 66.8° | 61.5° |
O3' | C3' | C2' | H2' | 41.0° | 20.5° |
O3' | C3' | C2' | H2'' | 164.3° | 102.3° |
O3' | C3' | C4' | H4' | 31.8° | 36.7° |
OP2 | P | OP3 | HOP3 | 123.5° | 60.0° |
H1' | C1' | C2' | H2' | 27.4° | 1.2° |
H1' | C1' | C2' | H2'' | 150.6° | 123.8° |
H2' | C2' | C3' | H3' | 86.0° | 144.0° |
H2'' | C2' | C3' | H3' | 37.3° | 21.3° |
H3' | C3' | C4' | H4' | 89.7° | 160.3° |
H3' | C3' | O3' | HO3' | 59.4° | 62.1° |
H4' | C4' | C5' | H5' | 45.5° | 67.8° |
H4' | C4' | C5' | H5'' | 74.5° | 172.2° |
H1 | C7A | C8A | H10 | 3.2° | 0.0° |