R
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP1 | doub | 1.48Å | 1.48Å | |
P | OP2 | sing | 1.61Å | 1.48Å | |
P | OP3 | sing | 1.61Å | 1.61Å | |
P | O5' | sing | 1.61Å | 1.61Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C5' | C4' | sing | 1.53Å | 1.52Å | |
C5' | H5' | sing | 1.09Å | 1.09Å | |
C5' | H5'' | sing | 1.09Å | 1.09Å | |
C4' | O4' | sing | 1.45Å | 1.45Å | |
C4' | C3' | sing | 1.55Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.09Å | |
O4' | C1' | sing | 1.44Å | 1.44Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.52Å | |
C3' | H3' | sing | 1.09Å | 1.09Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | C1' | sing | 1.54Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.09Å | |
C2' | H2'' | sing | 1.09Å | 1.09Å | |
C1' | N9 | sing | 1.46Å | 1.48Å | |
C1' | H1' | sing | 1.09Å | 1.09Å | |
N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.29Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.09Å | |
N7 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.37Å | |
C6 | N1 | doub | 1.33Å | 1.37Å | Aromatic |
N6 | CA | sing | 1.46Å | 1.50Å | |
N6 | H6 | sing | 0.97Å | 1.01Å | |
N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.09Å | |
N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | CJ | sing | 1.51Å | 1.51Å | |
CA | HA | sing | 1.09Å | 1.08Å | |
CB | OB | sing | 1.43Å | 1.42Å | |
CB | HB1 | sing | 1.09Å | 1.08Å | |
CB | HB2 | sing | 1.09Å | 1.08Å | |
OB | HB | sing | 0.97Å | 0.96Å | |
CJ | CO | doub | 1.38Å | 1.40Å | Aromatic |
CJ | CO' | sing | 1.38Å | 1.40Å | Aromatic |
CO | CM | sing | 1.38Å | 1.40Å | Aromatic |
CO | HO | sing | 1.08Å | 1.08Å | |
CO' | CM' | doub | 1.38Å | 1.40Å | Aromatic |
CO' | HO' | sing | 1.08Å | 1.08Å | |
CM | CP | doub | 1.38Å | 1.40Å | Aromatic |
CM | HM | sing | 1.08Å | 1.08Å | |
CM' | CP | sing | 1.38Å | 1.40Å | Aromatic |
CM' | HM' | sing | 1.08Å | 1.08Å | |
CP | HP | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | OP2 | 119.8° | 109.5° |
OP1 | P | OP3 | 108.4° | 109.5° |
OP1 | P | O5' | 108.4° | 109.5° |
OP2 | P | OP3 | 108.4° | 109.5° |
OP2 | P | O5' | 108.3° | 109.5° |
P | OP2 | HOP2 | 119.8° | 106.8° |
OP3 | P | O5' | 102.2° | 109.4° |
P | OP3 | HOP3 | 108.4° | 106.9° |
P | O5' | C5' | 120.4° | 106.8° |
O5' | C5' | C4' | 111.3° | 109.5° |
O5' | C5' | H5' | 109.4° | 109.4° |
O5' | C5' | H5'' | 108.9° | 109.6° |
C4' | C5' | H5' | 109.3° | 109.5° |
C4' | C5' | H5'' | 108.8° | 109.4° |
C5' | C4' | O4' | 112.2° | 110.8° |
C5' | C4' | C3' | 110.3° | 110.6° |
C5' | C4' | H4' | 108.9° | 110.6° |
H5' | C5' | H5'' | 109.0° | 109.5° |
O4' | C4' | C3' | 107.3° | 103.5° |
O4' | C4' | H4' | 109.0° | 110.6° |
C4' | O4' | C1' | 108.1° | 106.9° |
C3' | C4' | H4' | 109.0° | 110.6° |
C4' | C3' | O3' | 110.2° | 110.9° |
C4' | C3' | C2' | 105.2° | 102.1° |
C4' | C3' | H3' | 109.4° | 110.9° |
O4' | C1' | C2' | 106.2° | 107.4° |
O4' | C1' | N9 | 111.8° | 109.9° |
O4' | C1' | H1' | 109.0° | 109.9° |
O3' | C3' | C2' | 112.7° | 110.9° |
O3' | C3' | H3' | 110.1° | 110.8° |
C3' | O3' | HO3' | 110.2° | 106.8° |
C2' | C3' | H3' | 109.1° | 110.9° |
C3' | C2' | C1' | 105.9° | 104.2° |
C3' | C2' | H2' | 109.7° | 110.5° |
C3' | C2' | H2'' | 110.7° | 110.5° |
C1' | C2' | H2' | 110.0° | 110.5° |
C1' | C2' | H2'' | 110.4° | 110.5° |
C2' | C1' | N9 | 111.9° | 109.9° |
C2' | C1' | H1' | 108.6° | 109.9° |
H2' | C2' | H2'' | 110.0° | 110.6° |
N9 | C1' | H1' | 109.2° | 109.9° |
C1' | N9 | C8 | 130.3° | 126.3° |
C1' | N9 | C4 | 126.2° | 126.3° |
C8 | N9 | C4 | 103.5° | 107.4° |
N9 | C8 | N7 | 117.4° | 110.0° |
N9 | C8 | H8 | 121.2° | 124.9° |
N9 | C4 | C5 | 106.7° | 106.0° |
N9 | C4 | N3 | 126.0° | 134.9° |
N7 | C8 | H8 | 121.3° | 125.0° |
C8 | N7 | C5 | 102.0° | 109.5° |
N7 | C5 | C6 | 132.9° | 134.7° |
N7 | C5 | C4 | 110.4° | 107.1° |
C6 | C5 | C4 | 116.7° | 118.2° |
C5 | C6 | N6 | 123.6° | 120.8° |
C5 | C6 | N1 | 116.5° | 118.5° |
C5 | C4 | N3 | 127.3° | 119.1° |
N6 | C6 | N1 | 119.9° | 120.7° |
C6 | N6 | CA | 121.1° | 120.1° |
C6 | N6 | H6 | 119.5° | 120.0° |
C6 | N1 | C2 | 120.5° | 121.2° |
CA | N6 | H6 | 119.4° | 120.0° |
N6 | CA | CB | 110.2° | 109.5° |
N6 | CA | CJ | 109.3° | 109.5° |
N6 | CA | HA | 109.6° | 109.4° |
N1 | C2 | N3 | 127.3° | 122.5° |
N1 | C2 | H2 | 116.3° | 118.7° |
N3 | C2 | H2 | 116.3° | 118.8° |
C2 | N3 | C4 | 111.6° | 120.7° |
CB | CA | CJ | 109.4° | 109.5° |
CB | CA | HA | 109.2° | 109.4° |
CA | CB | OB | 109.5° | 109.5° |
CA | CB | HB1 | 109.3° | 109.5° |
CA | CB | HB2 | 109.5° | 109.5° |
CJ | CA | HA | 109.2° | 109.5° |
CA | CJ | CO | 120.5° | 120.0° |
CA | CJ | CO' | 119.6° | 120.0° |
OB | CB | HB1 | 110.2° | 109.4° |
OB | CB | HB2 | 109.0° | 109.4° |
CB | OB | HB | 107.8° | 106.8° |
HB1 | CB | HB2 | 109.3° | 109.5° |
CO | CJ | CO' | 119.9° | 120.0° |
CJ | CO | CM | 119.9° | 120.0° |
CJ | CO | HO | 120.0° | 120.0° |
CJ | CO' | CM' | 120.1° | 120.0° |
CJ | CO' | HO' | 119.9° | 120.0° |
CM | CO | HO | 120.0° | 119.9° |
CO | CM | CP | 120.0° | 120.0° |
CO | CM | HM | 120.0° | 120.0° |
CM' | CO' | HO' | 120.0° | 120.0° |
CO' | CM' | CP | 120.0° | 120.0° |
CO' | CM' | HM' | 120.0° | 120.0° |
CP | CM | HM | 120.0° | 120.0° |
CM | CP | CM' | 120.0° | 120.0° |
CM | CP | HP | 120.0° | 120.0° |
CP | CM' | HM' | 120.0° | 119.9° |
CM' | CP | HP | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP2 | OP3 | 125.0° | 120.1° |
OP1 | P | OP2 | O5' | 124.9° | 120.0° |
OP1 | P | OP3 | O5' | 114.3° | 120.0° |
OP1 | P | OP2 | HOP2 | 180.0° | 60.1° |
OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
OP1 | P | O5' | C5' | 41.8° | 60.0° |
OP2 | P | OP3 | O5' | 114.2° | 120.0° |
OP2 | P | OP3 | HOP3 | 48.5° | 60.0° |
OP2 | P | O5' | C5' | 173.2° | 180.0° |
OP3 | P | OP2 | HOP2 | 55.0° | 60.0° |
OP3 | P | O5' | C5' | 72.5° | 60.1° |
O5' | P | OP2 | HOP2 | 55.2° | 179.9° |
O5' | P | OP3 | HOP3 | 65.7° | 60.0° |
P | O5' | C5' | C4' | 176.0° | 180.0° |
P | O5' | C5' | H5' | 63.1° | 60.0° |
P | O5' | C5' | H5'' | 56.0° | 60.0° |
O5' | C5' | C4' | H5' | 121.0° | 119.9° |
O5' | C5' | C4' | H5'' | 120.0° | 120.1° |
O5' | C5' | H5' | H5'' | 119.0° | 120.1° |
O5' | C5' | C4' | O4' | 67.8° | 65.8° |
O5' | C5' | C4' | C3' | 51.8° | 180.0° |
O5' | C5' | C4' | H4' | 171.4° | 57.1° |
C4' | C5' | H5' | H5'' | 118.9° | 119.9° |
C5' | C4' | O4' | C3' | 121.3° | 118.6° |
C5' | C4' | O4' | H4' | 120.8° | 122.9° |
C5' | C4' | C3' | H4' | 119.6° | 122.9° |
C5' | C4' | O4' | C1' | 146.2° | 158.5° |
C5' | C4' | C3' | O3' | 104.2° | 86.1° |
C5' | C4' | C3' | C2' | 134.1° | 155.7° |
C5' | C4' | C3' | H3' | 16.9° | 37.4° |
H5' | C5' | C4' | O4' | 53.2° | 174.2° |
H5' | C5' | C4' | C3' | 172.8° | 60.0° |
H5' | C5' | C4' | H4' | 67.6° | 62.8° |
H5'' | C5' | C4' | O4' | 172.2° | 54.2° |
H5'' | C5' | C4' | C3' | 68.2° | 59.9° |
H5'' | C5' | C4' | H4' | 51.4° | 177.2° |
O4' | C4' | C3' | H4' | 117.9° | 118.5° |
O4' | C4' | C3' | O3' | 133.3° | 155.2° |
O4' | C4' | C3' | C2' | 11.5° | 37.0° |
O4' | C4' | C3' | H3' | 105.6° | 81.2° |
C4' | O4' | C1' | C2' | 28.0° | 26.4° |
C4' | O4' | C1' | N9 | 150.4° | 145.9° |
C4' | O4' | C1' | H1' | 88.9° | 93.1° |
C3' | C4' | O4' | C1' | 24.9° | 39.9° |
C4' | C3' | O3' | C2' | 117.2° | 112.7° |
C4' | C3' | O3' | H3' | 120.8° | 123.6° |
C4' | C3' | C2' | H3' | 117.3° | 118.2° |
C4' | C3' | O3' | HO3' | 180.0° | 174.2° |
C4' | C3' | C2' | C1' | 5.1° | 20.9° |
C4' | C3' | C2' | H2' | 113.6° | 97.8° |
C4' | C3' | C2' | H2'' | 124.7° | 139.6° |
H4' | C4' | O4' | C1' | 93.0° | 78.6° |
H4' | C4' | C3' | O3' | 15.3° | 36.7° |
H4' | C4' | C3' | C2' | 106.4° | 81.5° |
H4' | C4' | C3' | H3' | 136.5° | 160.3° |
O4' | C1' | C2' | C3' | 20.0° | 1.9° |
O4' | C1' | C2' | N9 | 122.3° | 119.5° |
O4' | C1' | C2' | H1' | 117.1° | 119.5° |
O4' | C1' | C2' | H2' | 98.5° | 120.6° |
O4' | C1' | C2' | H2'' | 139.9° | 116.7° |
O4' | C1' | N9 | H1' | 120.7° | 121.0° |
O4' | C1' | N9 | C8 | 49.9° | 28.3° |
O4' | C1' | N9 | C4 | 128.8° | 151.8° |
O3' | C3' | C2' | H3' | 122.6° | 123.6° |
O3' | C3' | C2' | C1' | 115.1° | 139.1° |
O3' | C3' | C2' | H2' | 126.3° | 20.4° |
O3' | C3' | C2' | H2'' | 4.6° | 102.2° |
C2' | C3' | O3' | HO3' | 62.8° | 61.4° |
C3' | C2' | C1' | H2' | 118.5° | 118.7° |
C3' | C2' | C1' | H2'' | 119.9° | 118.6° |
C3' | C2' | H2' | H2'' | 122.1° | 122.6° |
C3' | C2' | C1' | N9 | 142.3° | 121.4° |
C3' | C2' | C1' | H1' | 97.1° | 117.5° |
H3' | C3' | O3' | HO3' | 59.2° | 62.2° |
H3' | C3' | C2' | C1' | 122.4° | 97.3° |
H3' | C3' | C2' | H2' | 3.7° | 144.0° |
H3' | C3' | C2' | H2'' | 117.9° | 21.3° |
C1' | C2' | H2' | H2'' | 121.9° | 122.6° |
C2' | C1' | N9 | H1' | 120.3° | 121.0° |
C2' | C1' | N9 | C8 | 69.2° | 89.7° |
C2' | C1' | N9 | C4 | 112.2° | 90.2° |
H2' | C2' | C1' | N9 | 23.8° | 119.9° |
H2' | C2' | C1' | H1' | 144.4° | 1.1° |
H2'' | C2' | C1' | N9 | 97.8° | 2.8° |
H2'' | C2' | C1' | H1' | 22.8° | 123.8° |
C1' | N9 | C8 | C4 | 178.9° | 179.9° |
C1' | N9 | C8 | N7 | 178.7° | 180.0° |
C1' | N9 | C8 | H8 | 1.6° | 0.1° |
C1' | N9 | C4 | C5 | 178.8° | 179.7° |
C1' | N9 | C4 | N3 | 1.4° | 0.1° |
H1' | C1' | N9 | C8 | 170.5° | 149.3° |
H1' | C1' | N9 | C4 | 8.1° | 30.8° |
N9 | C8 | N7 | H8 | 179.6° | 179.9° |
N9 | C8 | N7 | C5 | 0.1° | 0.3° |
C8 | N9 | C4 | C5 | 0.2° | 0.2° |
C8 | N9 | C4 | N3 | 179.7° | 180.0° |
C4 | N9 | C8 | N7 | 0.1° | 0.0° |
C4 | N9 | C8 | H8 | 179.5° | 180.0° |
N9 | C4 | C5 | N7 | 0.1° | 0.4° |
N9 | C4 | C5 | C6 | 179.9° | 179.6° |
N9 | C4 | C5 | N3 | 179.8° | 179.9° |
N9 | C4 | N3 | C2 | 180.0° | 179.9° |
C8 | N7 | C5 | C6 | 179.9° | 179.5° |
C8 | N7 | C5 | C4 | 0.1° | 0.4° |
H8 | C8 | N7 | C5 | 179.6° | 179.8° |
N7 | C5 | C6 | C4 | 179.9° | 179.0° |
N7 | C5 | C6 | N6 | 1.5° | 0.7° |
N7 | C5 | C6 | N1 | 179.7° | 179.5° |
N7 | C5 | C4 | N3 | 179.7° | 179.8° |
C5 | C6 | N6 | N1 | 178.8° | 179.8° |
C5 | C6 | N6 | CA | 1.6° | 179.8° |
C5 | C6 | N6 | H6 | 179.7° | 0.3° |
C5 | C6 | N1 | C2 | 0.2° | 0.3° |
C6 | C5 | C4 | N3 | 0.2° | 0.5° |
C4 | C5 | C6 | N6 | 178.6° | 179.7° |
C4 | C5 | C6 | N1 | 0.2° | 0.5° |
C5 | C4 | N3 | C2 | 0.2° | 0.2° |
C6 | N6 | CA | H6 | 178.8° | 179.9° |
N6 | C6 | N1 | C2 | 178.7° | 180.0° |
C6 | N6 | CA | CB | 120.7° | 90.0° |
C6 | N6 | CA | CJ | 119.1° | 150.0° |
C6 | N6 | CA | HA | 0.5° | 30.0° |
N1 | C6 | N6 | CA | 177.2° | 0.0° |
N1 | C6 | N6 | H6 | 1.5° | 179.9° |
C6 | N1 | C2 | N3 | 0.2° | 0.0° |
C6 | N1 | C2 | H2 | 179.9° | 180.0° |
N6 | CA | CB | CJ | 120.2° | 120.1° |
N6 | CA | CB | HA | 120.4° | 120.0° |
N6 | CA | CJ | HA | 119.9° | 120.0° |
N6 | CA | CB | OB | 26.5° | 60.0° |
N6 | CA | CB | HB1 | 94.3° | 59.9° |
N6 | CA | CB | HB2 | 146.0° | 180.0° |
N6 | CA | CJ | CO | 55.4° | 150.0° |
N6 | CA | CJ | CO' | 125.0° | 30.3° |
H6 | N6 | CA | CB | 60.6° | 89.9° |
H6 | N6 | CA | CJ | 59.6° | 30.1° |
H6 | N6 | CA | HA | 179.2° | 150.1° |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.1° | 0.0° |
H2 | C2 | N3 | C4 | 179.9° | 180.0° |
CB | CA | CJ | HA | 119.5° | 120.0° |
CA | CB | OB | HB1 | 120.2° | 120.0° |
CA | CB | OB | HB2 | 119.8° | 120.0° |
CA | CB | HB1 | HB2 | 119.8° | 120.1° |
CA | CB | OB | HB | 34.3° | 180.0° |
CB | CA | CJ | CO | 65.3° | 90.0° |
CB | CA | CJ | CO' | 114.4° | 89.7° |
CJ | CA | CB | OB | 93.7° | 60.0° |
CJ | CA | CB | HB1 | 145.5° | 180.0° |
CJ | CA | CB | HB2 | 25.9° | 60.0° |
CA | CJ | CO | CO' | 179.7° | 179.7° |
CA | CJ | CO | CM | 179.9° | 180.0° |
CA | CJ | CO | HO | 0.2° | 0.0° |
CA | CJ | CO' | CM' | 180.0° | 179.8° |
CA | CJ | CO' | HO' | 0.1° | 0.2° |
HA | CA | CB | OB | 146.9° | 180.0° |
HA | CA | CB | HB1 | 26.1° | 60.0° |
HA | CA | CB | HB2 | 93.6° | 60.0° |
HA | CA | CJ | CO | 175.2° | 30.0° |
HA | CA | CJ | CO' | 5.1° | 150.3° |
OB | CB | HB1 | HB2 | 119.8° | 119.9° |
HB1 | CB | OB | HB | 85.9° | 60.0° |
HB2 | CB | OB | HB | 154.2° | 60.0° |
CJ | CO | CM | HO | 179.8° | 180.0° |
CO | CJ | CO' | CM' | 0.3° | 0.5° |
CO | CJ | CO' | HO' | 179.8° | 179.9° |
CJ | CO | CM | CP | 0.1° | 0.0° |
CJ | CO | CM | HM | 179.8° | 179.9° |
CO' | CJ | CO | CM | 0.3° | 0.3° |
CO' | CJ | CO | HO | 179.9° | 179.7° |
CJ | CO' | CM' | HO' | 179.9° | 179.6° |
CJ | CO' | CM' | CP | 0.0° | 0.5° |
CJ | CO' | CM' | HM' | 179.6° | 179.7° |
CO | CM | CP | HM | 179.8° | 179.9° |
CO | CM | CP | CM' | 0.3° | 0.1° |
CO | CM | CP | HP | 180.0° | 179.9° |
HO | CO | CM | CP | 179.8° | 180.0° |
HO | CO | CM | HM | 0.0° | 0.1° |
CO' | CM' | CP | CM | 0.3° | 0.2° |
CO' | CM' | CP | HM' | 179.6° | 179.8° |
CO' | CM' | CP | HP | 179.9° | 179.8° |
HO' | CO' | CM' | CP | 179.9° | 180.0° |
HO' | CO' | CM' | HM' | 0.3° | 0.2° |
CM | CP | CM' | HP | 179.6° | 180.0° |
CM | CP | CM' | HM' | 179.9° | 180.0° |
HM | CM | CP | CM' | 179.9° | 180.0° |
HM | CM | CP | HP | 0.2° | 0.0° |
HM' | CM' | CP | HP | 0.4° | 0.1° |