CBR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
BR | C5 | sing | 1.86Å | 1.94Å | |
P | OP1 | doub | 1.50Å | 1.48Å | |
P | OP2 | sing | 1.62Å | 1.49Å | |
P | O5' | sing | 1.62Å | 1.59Å | |
P | OP3 | sing | 1.62Å | 26.35Å | |
OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
O5' | C5' | sing | 1.42Å | 1.43Å | |
N1 | C6 | sing | 1.39Å | 1.37Å | |
N1 | C2 | sing | 1.41Å | 1.40Å | |
N1 | C1' | sing | 1.43Å | 1.47Å | |
C6 | C5 | doub | 1.33Å | 1.34Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C2 | O2 | doub | 1.23Å | 1.24Å | |
C2 | N3 | sing | 1.38Å | 1.35Å | |
N3 | C4 | doub | 1.31Å | 1.34Å | |
C4 | N4 | sing | 1.38Å | 1.34Å | |
C4 | C5 | sing | 1.50Å | 1.42Å | |
N4 | H41 | sing | 0.99Å | 1.02Å | |
N4 | H42 | sing | 0.99Å | 1.02Å | |
C2' | C1' | sing | 1.52Å | 1.52Å | |
C2' | C3' | sing | 1.51Å | 1.52Å | |
C2' | H2' | sing | 1.10Å | 1.11Å | |
C2' | H2'' | sing | 1.09Å | 1.12Å | |
C5' | C4' | sing | 1.52Å | 1.51Å | |
C5' | H5' | sing | 1.09Å | 1.11Å | |
C5' | H5'' | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.52Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.43Å | 1.41Å | |
C1' | H1' | sing | 1.10Å | 1.11Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
BR | C5 | C6 | 121.4° | 123.3° |
BR | C5 | C4 | 120.6° | 120.7° |
OP1 | P | OP2 | 119.7° | 115.3° |
OP1 | P | O5' | 107.3° | 115.0° |
OP1 | P | OP3 | 157.9° | 115.0° |
OP2 | P | O5' | 108.0° | 103.7° |
OP2 | P | OP3 | 50.3° | 103.3° |
P | OP2 | HOP2 | 119.7° | 118.9° |
O5' | P | OP3 | 94.8° | 102.9° |
P | O5' | C5' | 120.4° | 118.5° |
P | OP3 | HOP3 | 157.9° | 118.9° |
O5' | C5' | C4' | 110.0° | 108.9° |
O5' | C5' | H5' | 112.0° | 109.0° |
O5' | C5' | H5'' | 112.0° | 108.9° |
C6 | N1 | C2 | 120.1° | 119.5° |
C6 | N1 | C1' | 121.6° | 120.2° |
N1 | C6 | C5 | 120.7° | 122.9° |
N1 | C6 | H6 | 120.7° | 115.3° |
C2 | N1 | C1' | 118.3° | 120.3° |
N1 | C2 | O2 | 118.9° | 121.1° |
N1 | C2 | N3 | 119.5° | 118.8° |
N1 | C1' | C2' | 116.4° | 112.8° |
N1 | C1' | O4' | 108.0° | 109.3° |
N1 | C1' | H1' | 104.5° | 107.8° |
C5 | C6 | H6 | 118.6° | 121.8° |
C6 | C5 | C4 | 117.8° | 116.0° |
O2 | C2 | N3 | 121.6° | 120.2° |
C2 | N3 | C4 | 120.0° | 121.4° |
N3 | C4 | N4 | 118.0° | 118.8° |
N3 | C4 | C5 | 121.9° | 121.4° |
N4 | C4 | C5 | 120.1° | 119.9° |
C4 | N4 | H41 | 118.1° | 118.0° |
C4 | N4 | H42 | 109.2° | 117.9° |
H41 | N4 | H42 | 109.0° | 124.1° |
C1' | C2' | C3' | 102.6° | 102.5° |
C1' | C2' | H2' | 114.8° | 110.6° |
C1' | C2' | H2'' | 114.8° | 111.7° |
C2' | C1' | O4' | 105.0° | 107.4° |
C2' | C1' | H1' | 107.5° | 111.5° |
C3' | C2' | H2' | 114.9° | 109.7° |
C3' | C2' | H2'' | 114.8° | 114.1° |
C2' | C3' | C4' | 104.4° | 103.1° |
C2' | C3' | O3' | 112.7° | 109.7° |
C2' | C3' | H3' | 110.8° | 113.2° |
H2' | C2' | H2'' | 95.7° | 108.3° |
C4' | C5' | H5' | 112.1° | 110.3° |
C4' | C5' | H5'' | 112.0° | 110.3° |
C5' | C4' | O4' | 109.6° | 107.9° |
C5' | C4' | C3' | 113.9° | 112.9° |
C5' | C4' | H4' | 105.4° | 109.5° |
H5' | C5' | H5'' | 98.4° | 109.3° |
O4' | C4' | C3' | 106.4° | 106.2° |
O4' | C4' | H4' | 113.0° | 107.9° |
C4' | O4' | C1' | 108.7° | 109.3° |
C3' | C4' | H4' | 108.7° | 112.2° |
C4' | C3' | O3' | 109.5° | 109.9° |
C4' | C3' | H3' | 113.8° | 113.5° |
O4' | C1' | H1' | 115.9° | 108.0° |
O3' | C3' | H3' | 105.8° | 107.4° |
C3' | O3' | HO3' | 112.6° | 107.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
BR | C5 | C6 | N1 | 173.7° | 180.0° |
BR | C5 | C6 | C4 | 174.7° | 180.0° |
BR | C5 | C6 | H6 | 6.3° | 0.0° |
BR | C5 | C4 | N3 | 172.9° | 180.0° |
BR | C5 | C4 | N4 | 7.8° | 0.1° |
OP1 | P | OP2 | O5' | 123.0° | 126.6° |
OP1 | P | OP2 | OP3 | 155.9° | 126.3° |
OP1 | P | O5' | OP3 | 179.9° | 125.8° |
OP1 | P | OP2 | HOP2 | 180.0° | 48.8° |
OP1 | P | O5' | C5' | 48.7° | 179.9° |
OP1 | P | OP3 | HOP3 | 180.0° | 48.0° |
OP2 | P | O5' | OP3 | 49.7° | 107.4° |
OP2 | P | O5' | C5' | 179.0° | 53.2° |
OP2 | P | OP3 | HOP3 | 109.7° | 78.5° |
O5' | P | OP2 | HOP2 | 57.0° | 175.4° |
P | O5' | C5' | C4' | 175.4° | 180.0° |
P | O5' | C5' | H5' | 59.2° | 59.6° |
P | O5' | C5' | H5'' | 50.2° | 59.6° |
O5' | P | OP3 | HOP3 | 0.3° | 173.8° |
OP3 | P | OP2 | HOP2 | 24.0° | 77.5° |
OP3 | P | O5' | C5' | 131.4° | 54.2° |
O5' | C5' | C4' | H5' | 125.3° | 119.6° |
O5' | C5' | C4' | H5'' | 125.3° | 119.5° |
O5' | C5' | H5' | H5'' | 117.9° | 119.0° |
O5' | C5' | C4' | O4' | 67.3° | 62.4° |
O5' | C5' | C4' | C3' | 51.8° | 179.5° |
O5' | C5' | C4' | H4' | 170.8° | 54.7° |
C6 | N1 | C2 | C1' | 179.9° | 180.0° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
C6 | N1 | C2 | O2 | 178.1° | 179.9° |
C6 | N1 | C2 | N3 | 1.4° | 0.0° |
N1 | C6 | C5 | C4 | 1.0° | 0.0° |
C6 | N1 | C1' | C2' | 41.0° | 86.5° |
C6 | N1 | C1' | O4' | 76.7° | 32.9° |
C6 | N1 | C1' | H1' | 159.3° | 150.0° |
C2 | N1 | C6 | C5 | 0.6° | 0.0° |
C2 | N1 | C6 | H6 | 179.4° | 180.0° |
N1 | C2 | O2 | N3 | 179.5° | 179.9° |
N1 | C2 | N3 | C4 | 0.5° | 0.0° |
C2 | N1 | C1' | C2' | 138.9° | 93.5° |
C2 | N1 | C1' | O4' | 103.4° | 147.1° |
C2 | N1 | C1' | H1' | 20.6° | 30.0° |
C1' | N1 | C6 | C5 | 179.3° | 180.0° |
C1' | N1 | C6 | H6 | 0.7° | 0.0° |
C1' | N1 | C2 | O2 | 2.0° | 0.1° |
C1' | N1 | C2 | N3 | 178.5° | 180.0° |
N1 | C1' | C2' | O4' | 119.3° | 120.5° |
N1 | C1' | C2' | H1' | 116.7° | 121.4° |
N1 | C1' | C2' | C3' | 155.0° | 147.4° |
N1 | C1' | C2' | H2' | 79.8° | 30.6° |
N1 | C1' | C2' | H2'' | 29.7° | 90.1° |
N1 | C1' | O4' | C4' | 158.8° | 131.7° |
N1 | C1' | O4' | H1' | 116.8° | 117.0° |
C6 | C5 | C4 | N3 | 1.9° | 0.0° |
C6 | C5 | C4 | N4 | 177.4° | 179.9° |
H6 | C6 | C5 | C4 | 179.0° | 180.0° |
O2 | C2 | N3 | C4 | 178.9° | 179.9° |
C2 | N3 | C4 | N4 | 178.2° | 179.9° |
C2 | N3 | C4 | C5 | 1.1° | 0.0° |
N3 | C4 | N4 | C5 | 179.4° | 180.0° |
N3 | C4 | N4 | H41 | 180.0° | 173.9° |
N3 | C4 | N4 | H42 | 54.8° | 6.1° |
C4 | N4 | H41 | H42 | 125.3° | 180.0° |
C5 | C4 | N4 | H41 | 0.6° | 6.1° |
C5 | C4 | N4 | H42 | 125.9° | 173.9° |
C1' | C2' | C3' | H2' | 125.3° | 117.5° |
C1' | C2' | C3' | H2'' | 125.2° | 120.8° |
C1' | C2' | H2' | H2'' | 120.7° | 122.7° |
C2' | C1' | O4' | C4' | 34.0° | 9.0° |
C1' | C2' | C3' | C4' | 23.9° | 33.4° |
C2' | C1' | O4' | H1' | 118.5° | 120.3° |
C1' | C2' | C3' | O3' | 94.9° | 83.6° |
C1' | C2' | C3' | H3' | 146.8° | 156.4° |
C3' | C2' | H2' | H2'' | 120.7° | 125.1° |
C2' | C3' | C4' | C5' | 115.9° | 88.8° |
C2' | C3' | C4' | O4' | 4.9° | 29.2° |
C2' | C3' | C4' | O3' | 120.9° | 116.9° |
C2' | C3' | C4' | H3' | 120.9° | 122.8° |
C2' | C3' | C4' | H4' | 126.9° | 146.9° |
C3' | C2' | C1' | O4' | 35.7° | 26.9° |
C3' | C2' | C1' | H1' | 88.4° | 91.2° |
C2' | C3' | O3' | H3' | 121.2° | 123.4° |
C2' | C3' | O3' | HO3' | 180.0° | 120.1° |
H2' | C2' | C3' | C4' | 149.2° | 84.1° |
H2' | C2' | C1' | O4' | 161.0° | 90.0° |
H2' | C2' | C1' | H1' | 36.9° | 151.9° |
H2' | C2' | C3' | O3' | 30.4° | 158.9° |
H2' | C2' | C3' | H3' | 87.9° | 38.9° |
H2'' | C2' | C3' | C4' | 101.3° | 154.3° |
H2'' | C2' | C1' | O4' | 89.6° | 149.4° |
H2'' | C2' | C1' | H1' | 146.4° | 31.3° |
H2'' | C2' | C3' | O3' | 139.9° | 37.2° |
H2'' | C2' | C3' | H3' | 21.6° | 82.7° |
C4' | C5' | H5' | H5'' | 117.9° | 121.5° |
C5' | C4' | O4' | C3' | 123.6° | 121.4° |
C5' | C4' | O4' | H4' | 117.2° | 118.2° |
C5' | C4' | C3' | H4' | 117.1° | 124.3° |
C5' | C4' | O4' | C1' | 141.7° | 108.6° |
C5' | C4' | C3' | O3' | 123.2° | 154.2° |
C5' | C4' | C3' | H3' | 5.0° | 34.0° |
H5' | C5' | C4' | O4' | 167.5° | 57.1° |
H5' | C5' | C4' | C3' | 73.5° | 60.0° |
H5' | C5' | C4' | H4' | 45.5° | 174.3° |
H5'' | C5' | C4' | O4' | 58.0° | 178.1° |
H5'' | C5' | C4' | C3' | 177.0° | 61.0° |
H5'' | C5' | C4' | H4' | 63.9° | 64.8° |
O4' | C4' | C3' | H4' | 122.0° | 117.6° |
C4' | O4' | C1' | H1' | 84.4° | 111.3° |
O4' | C4' | C3' | O3' | 115.9° | 87.7° |
O4' | C4' | C3' | H3' | 125.8° | 152.1° |
C3' | C4' | O4' | C1' | 18.2° | 12.7° |
C4' | C3' | O3' | H3' | 123.1° | 123.9° |
C4' | C3' | O3' | HO3' | 64.2° | 127.2° |
H4' | C4' | O4' | C1' | 101.0° | 133.2° |
H4' | C4' | C3' | O3' | 6.0° | 29.9° |
H4' | C4' | C3' | H3' | 112.2° | 90.3° |
H3' | C3' | O3' | HO3' | 58.9° | 3.4° |